commit 4c4c9dace870e026b855d5b5cb9f9427653578d0 Author: Sarah Jamie Lewis Date: Sun Oct 27 18:45:04 2019 -0700 Initial Commit with 4.2 Version of Drug Bank Data diff --git a/drugs.4.2.db b/drugs.4.2.db new file mode 100644 index 0000000..7bd6db8 --- /dev/null +++ b/drugs.4.2.db @@ -0,0 +1 @@ +[{"ID":"DB00001","Name":"Lepirudin","DrugType":"biotech","HalfLife":"Approximately 1.3 hours","Description":"Lepirudin is identical to natural hirudin except for substitution of leucine for isoleucine at the N-terminal end of the molecule and the absence of a sulfate group on the tyrosine at position 63. It is produced via yeast cells. Bayer ceased the production of lepirudin (Refludan) effective May 31, 2012.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of heparin-induced thrombocytopenia","Toxicity":"In case of overdose (eg, suggested by excessively high aPTT values) the risk of bleeding is increased.","MechanismOfAction":"Lepirudin forms a stable non-covalent complex with alpha-thrombin, thereby abolishing its ability to cleave fibrinogen and initiate the clotting cascade. The inhibition of thrombin prevents the blood clotting cascade. ","Pharmacodynamics":"Lepirudin is used to break up clots and to reduce thrombocytopenia. It binds to thrombin and prevents thrombus or clot formation. It is a highly potent, selective, and essentially irreversible inhibitor of thrombin and clot-bond thrombin. Lepirudin requires no cofactor for its anticoagulant action. Lepirudin is a recombinant form of hirudin, an endogenous anticoagulant found in medicinal leeches.","Absorption":"Bioavailability is 100% following injection.","Interactions":[{"ID":"DB01381"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00278","Drugs":["DB00001","DB01373"]}]},{"ID":"DB00002","Name":"Cetuximab","DrugType":"biotech","HalfLife":"114 hrs","Description":"Epidermal growth factor receptor binding FAB. Cetuximab is composed of the Fv (variable; antigen-binding) regions of the 225 murine EGFr monoclonal antibody specific for the N-terminal portion of human EGFr with human IgG1 heavy and kappa light chain constant (framework) regions.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of EGFR-expressing metastatic colorectal cancer in patients who are refractory to other irinotecan-based chemotherapy regimens. Cetuximab is also indicated for treatment of squamous cell carcinoma of the head and neck in conjucntion with radiation therapy.","Toxicity":"Single doses of cetuximab higher than 500 mg/m\u003csup\u003e2\u003c/sup\u003e have not been tested. There is no experience with overdosage in human clinical trials.\r\n\r\n","MechanismOfAction":"Cetuximab binds to the epidermal growth factor receptor (EGFr) on both normal and tumor cells. EGFr is over-expressed in many colorectal cancers. Cetuximab competitively inhibits the binding of epidermal growth factor (EGF) and TGF alpha, thereby reducing their effects on cell growth and metastatic spread.","Pharmacodynamics":"Used in the treatment of colorectal cancer, cetuximab binds specifically to the epidermal growth factor receptor (EGFr, HER1, c-ErbB-1) on both normal and tumor cells. EGFr is over-expressed in many colorectal cancers. Cetuximab competitively inhibits the binding of epidermal growth factor (EGF) and other ligands, such as transforming growth factor–alpha. Binding of cetuximab to the EGFr blocks phosphorylation and activation of receptor-associated kinases, resulting in inhibition of cell growth, induction of apoptosis, decreased matrix metalloproteinase secretion and reduced vascular endothelial growth factor production.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00474","Drugs":["DB00002"]}]},{"ID":"DB00003","Name":"Dornase alfa","DrugType":"biotech","HalfLife":"","Description":"Dornase alfa is a biosynthetic form of human deoxyribunuclease I (DNase I) enzyme. It is produced in genetically modified Chinese hamster ovary (CHO) cells using recombinant DNA technology. The 260-amino acid sequence of dornase alfa is identical to the endogenous human enzyme. Dornase alfa cleaves extracellular DNA to 5´-phosphodinucleotide and 5´-phosphooligonucleotide end products without affecting intracellular DNA. In individuals with cystic fibrosis, extracellular DNA, which is an extremely viscous anion, is released by degenerating leukocytes that accumulate during inflammatory responses to infections. Enzymatic breakdown of this extracellular DNA appears to reduce sputum viscosity and viscoelasticity. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used as adjunct therapy in the treatment of cystic fibrosis. ","Toxicity":"Adverse reactions occur at a frequency of \u003c 1/1000 and are usually mild and transient in nature. Reported adverse effects include chest pain (pleuritic/non-cardiac), fever, dyspepsia, voice alteration (hoarseness), pharyngitis, dyspnea, laryngitis, rhinitis, decreased lung function, rash, urticaria, and conjunctivitis. There is no evidence of carcinogenic or mutagenic properties. The safety of dornase alfa has not been studied in pregnant women, nursing women and children under the age of 5 years old. ","MechanismOfAction":"Dornase alfa is a biosynthetic form of human DNase I. The enzyme is involved in endonucleolytic cleavage of extracellular DNA to 5´-phosphodinucleotide and 5´-phosphooligonucleotide end products. It has no effect on intracellular DNA. Optimal activity is dependent on the presence of divalent cations such as calcium and magnesium. Extracellular DNA is a viscous anionic polymer and its breakdown appears to improve the viscosity and viscoelasticity of purulent sputum of individuals with CF, thus reducing airflow obstruction. Dornase alfa does not seem to have any effect on non-purulent sputum.","Pharmacodynamics":"Cystic fibrosis (CF) is a disease characterized by the retention of viscous purulent secretions in the airways. These thick secretions contribute both to reduced pulmonary function and to frequent pulmonary infection. Purulent pulmonary secretions of individuals with cystic fibrosis contain very high concentrations of extracellular DNA released by degenerating leukocytes that accumulate in response to these infections. Dornase alfa hydrolyzes the DNA in sputum of CF patients and reduces sputum viscosity and viscoelasticity. The enzyme does not appear to affect sputum in the absence of an inflammatory response to infection, nor does it affect the sputum of healthy individuals. ","Absorption":"Studies in rats and monkeys after inhalation of dornase alfa shows very little systemic absorption (less than 15% for rats and less than 2% for monkeys). The results were also witnessed in patients. Dornase alfa is also associated with very low accumulation with no serum concentration greater than 10ng/mL observed no matter the dose administered. Bioavailability: mean sputum concentrations of dornase alfa can be measured after 15 minutes. Onset is achieved within 3 to 7 days. Peak concentrations are achieved after 9 days.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00004","Name":"Denileukin diftitox","DrugType":"biotech","HalfLife":"70-80 min","Description":"A recombinant DNA-derived cytotoxic protein composed of the amino acid sequences for diphtheria toxin fragments A and B (Met 1-Thr 387)-His followed by the sequences for interleukin-2 (IL-2; Ala 1-Thr 133). It is produced in an E. coli expression system.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of cutaneous T-cell lymphoma","Toxicity":"","MechanismOfAction":"Denileukin diftitox binds to the high-affinity IL-2 receptor complex. The IL-2 receptor (Tac) subunit is expressed on activated but not resting lymphocytes. The diphtheria toxin associated with Ontak then selectively kills the IL-2 bearing cells.","Pharmacodynamics":"Denileukin diftitox (Ontak) directs the cytocidal action of diphtheria toxin to cells which express the IL-2 receptor. The human IL-2 receptor exists in three forms, low (CD25), intermediate (CD122/CD132) and high (CD25/CD122/CD132) affinity. Malignant cells expressing one or more of the subunits of the IL-2 receptor are found in certain leukemias and lymphomas including cutaneous T-cell lymphoma (CTCL). Ontak interacts with the high affinity IL-2 receptor on the cell surface and inhibits cellular protein synthesis, resulting in cell death within hours.","Absorption":"","Interactions":[{"ID":"DB06372"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00005","Name":"Etanercept","DrugType":"biotech","HalfLife":"102 +/- 30 hrs in individuals with rheumatoid arthritis and 68 hours in healthy adults","Description":"Dimeric fusion protein consisting of the extracellular ligand-binding portion of the human 75 kilodalton (p75) tumor necrosis factor receptor (TNFR) linked to the Fc portion of human IgG1. The Fc component of etanercept contains the CH2 domain, the CH3 domain and hinge region, but not the CH1 domain of IgG1. Etanercept is produced by recombinant DNA technology in a Chinese hamster ovary (CHO) mammalian cell expression system. It consists of 934 amino acids","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of severe active rheumatoid arthritis in adults, severe juvenile idiopathic arthritis, ankylosing spondylitis, and severe plaque psoriasis.","Toxicity":"","MechanismOfAction":"There are two distinct receptors for TNF (TNFRs), a 55 kilodalton protein (p55) and a 75 kilodalton protein (p75). The biological activity of TNF is dependent upon binding to either cell surface receptor (p75 or p55). Etanercept is a dimeric soluble form of the p75 TNF receptor that can bind to two TNF molecules, thereby effectively removing them from circulation.","Pharmacodynamics":"Tumor necrosis factor TNF is a naturally occurring cytokine that is involved in normal inflammatory and immune responses. Elevated levels of TNF are found in tissues and fluids of patients with rheumatoid arthritis, psoriatic arthritis, ankylosing spondylitis (AS), and plaque psoriasis. Etanercept binds specifically to tumor necrosis factor (TNF) and blocks its interaction with cell surface TNF receptors.","Absorption":"Bioavailability following sub-Q administration is approximately 60%. Peak plasma concentrations achieved within 69 hours. ","Interactions":[{"ID":"DB01281"},{"ID":"DB00026"},{"ID":"DB08879"},{"ID":"DB08879"},{"ID":"DB06168"},{"ID":"DB08904"},{"ID":"DB00531"},{"ID":"DB06643"},{"ID":"DB00065"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB06372"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB06273"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00006","Name":"Bivalirudin","DrugType":"biotech","HalfLife":"* Normal renal function: 25 min (in normal conditions)\r\n* Creatinine clearance 10-29mL/min: 57min\r\n* Dialysis-dependant patients: 3.5h","Description":"Bivalirudin is a synthetic 20 residue peptide (thrombin inhibitor) which reversibly inhibits thrombin. Once bound to the active site, thrombin cannot activate fibrinogen into fibrin, the crucial step in the formation of thrombus. It is administered intravenously. Because it can cause blood stagnation, it is important to monitor changes in hematocrit, activated partial thromboplastin time, international normalized ratio and blood pressure. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of heparin-induced thrombocytopenia and for the\r\nprevention of thrombosis. Bivalirudin is indicated for use in\r\npatients undergoing percutaneous coronary intervention (PCI), in\r\npatients at moderate to high risk acute coronary syndromes due to\r\nunstable angina or non-ST segment elevation in whom a PCI is planned.","Toxicity":"Based on a study by Gleason et al., the no-observed-adverse-effect level (NOAEL) for bivalirudin, administered to rats via intravenous infusion over a 24-hour period, was 2000 mg/kg/24 h.","MechanismOfAction":"Inhibits the action of thrombin by binding both to its catalytic site and to its anion-binding exosite. Thrombin is a serine proteinase that plays a central role in the thrombotic process, acting to cleave fibrinogen into fibrin monomers and to activate Factor XIII to Factor XIIIa, allowing fibrin to develop a covalently cross-linked framework which stabilizes the thrombus; thrombin also activates Factors V and VIII, promoting further thrombin generation, and activates platelets, stimulating aggregation and granule release.","Pharmacodynamics":"Bivalirudin directly and reversibly inhibits thrombin by specifically binding both to the catalytic site and to the anion-binding exosite of circulating and clot-bound thrombin. The action of bivalirudin is reversible because thrombin will slowly cleave the thrombin-bivalirudin bond which recovers the active site of thrombin. ","Absorption":"Following intravenous administration, bivalirudin exhibits linear\r\npharmacokinetics . The mean steady state concentration is 12.3 +/-\r\n1.7mcg/mL after administration of an intravenous bolus of 1mg/kg\r\nfollowd by a 2.5mg/kg/hr intravenous infusion given over 4 hours.","Interactions":[{"ID":"DB01609"},{"ID":"DB00441"},{"ID":"DB01381"},{"ID":"DB06228"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00277","Drugs":["DB00006","DB01373"]}]},{"ID":"DB00007","Name":"Leuprolide","DrugType":"biotech","HalfLife":"~3 hours","Description":"Leuprolide belongs to the general class of drugs known as hormones or hormone antagonists. It is a synthetic 9 residue peptide analog of gonadotropin releasing hormone. Leuprolide is used to treat advanced prostate cancer. It is also used to treat uterine fibroids and endometriosis. Leuprolide is also under investigation for possible use in the treatment of mild to moderate Alzheimer's disease.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of prostate cancer, endometriosis, uterine fibroids and premature puberty","Toxicity":"In rats subcutaneous administration of 250 to 500 times the recommended human dose, expressed on a per body weight basis, resulted in dyspnea, decreased activity, and local irritation at the injection site. There is no evidence at present that there is a clinical counterpart of this phenomenon. In early clinical trials with leuprolide acetate doses as high as 20 mg/day for up to two years caused no adverse effects differing from those observed with the 1 mg/day dose.","MechanismOfAction":"Leuprolide binds to the gonadotropin releasing hormone receptor and acts as a potent inhibitor of gonadotropin secretion.","Pharmacodynamics":"Used in the palliative treatment of advanced prostate cancer. Leuprolide is a luteinizing hormone agonist that results in suppression of testicular or follicular steroidogenesis.","Absorption":"Bioavailability by subcutaneous administration is comparable to that by intravenous administration.","Interactions":null,"Salts":[{"ID":"DBSALT000105","Name":"Leuprolide acetate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00008","Name":"Peginterferon alfa-2a","DrugType":"biotech","HalfLife":"Terminal half life is 80 hours (range 50 to 140 hours).","Description":"Human interferon 2a, is a covalent conjugate of recombinant alfa-2a interferon with a single branched bis-monomethoxy polyethylene glycol (PEG) chain. The PEG moiety is linked at a single site to the interferon alfa moiety via a stable amide bond to lysine. Peginterferon alfa-2a has an approximate molecular weight of 60,000 daltons. Interferon alfa-2a is produced using recombinant DNA technology in which a cloned human leukocyte interferon gene is inserted into and expressed in Escherichia coli. The resultant protein is 165 amino acids. The PEG strand protects the molecule in vivo from proteolytic breakdown, substantially increases its in vivo half-life, and reduces immunogenicity by wrapping around and physically hindering access to the protein portion of the molecule.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of hairy cell leukemia, malignant melanoma, and AIDS-related Kaposi's sarcoma.","Toxicity":"","MechanismOfAction":"Interferon alpha binds to type I interferon receptors (IFNAR1 and IFNAR2c) which, upon dimerization, activate two Jak (Janus kinase) tyrosine kinases (Jak1 and Tyk2). These transphosphorylate themselves and phosphorylate the receptors. The phosphorylated INFAR receptors then bind to Stat1 and Stat2 (signal transducers and activators of transcription) which dimerize and activate multiple (~100) immunomodulatory and antiviral proteins. Interferon alpha binds less stably to type I interferon receptors than interferon beta.","Pharmacodynamics":"Upregulates the expression of MHC I proteins, allowing for increased presentation of peptides derived from viral antigens. This enhances the activation of CD8+ T cells that are the precursors for cytotoxic T lymphocytes (CTLs) and makes the macrophage a better target for CTL-mediated killing. Interferon alpha also induce the synthesis of several key antiviral mediators, including 2'-5' oligoadenylate synthetase (2'-5' A synthetase) and protein kinase R.","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00651"},{"ID":"DB06414"},{"ID":"DB01303"},{"ID":"DB01265"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00009","Name":"Alteplase","DrugType":"biotech","HalfLife":"","Description":"Human tissue plasminogen activator, purified, glycosylated, 527 residues purified from CHO cells","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For management of acute myocardial infarction, acute ischemic strok and for lysis of acute pulmonary emboli","Toxicity":"","MechanismOfAction":"Alteplase binds to fibrin rich clots via the fibronectin finger-like domain and the Kringle 2 domain. The protease domain then cleaves the Arg/Val bond in plasminogen to form plasmin. Plasmin in turn degrades the fibrin matrix of the thrombus, thereby exerting its thrombolytic action. ","Pharmacodynamics":"Alteplase binds to fibrin in a thrombus and converts the entrapped plasminogen to plasmin. It also produces limited conversion of plasminogen in the absence of fibrin.","Absorption":"","Interactions":[{"ID":"DB01381"},{"ID":"DB00727"},{"ID":"DB00208"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00280","Drugs":["DB00009","DB01373"]}]},{"ID":"DB00010","Name":"Sermorelin","DrugType":"biotech","HalfLife":"11-12 min","Description":"Sermorelin acetate is the acetate salt of an amidated synthetic 29-amino acid peptide (GRF 1-29 NH 2 ) that corresponds to the amino-terminal segment of the naturally occurring human growth hormone-releasing hormone (GHRH or GRF) consisting of 44 amino acid residues","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of dwarfism, prevention of HIV-induced weight loss","Toxicity":"","MechanismOfAction":"Sermorelin binds to the growth hormone releasing hormone receptor and mimics native GRF in its ability to stimulate growth hormone secretion.","Pharmacodynamics":"Sermorelin is used in the treatment of children with growth hormone deficiency or growth failure. Geref increases plasma growth hormone (GH) concentration by stimulating the pituitary gland to release GH. Geref is similar to the full-length native hormone (44 residues) in its ability to stimulate GH secretion in humans.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00011","Name":"Interferon alfa-n1","DrugType":"biotech","HalfLife":"1.2 hours (mammalian reticulocytes, in vitro); \u0026gt;20 hours (yeast, in vivo); \u0026gt;10 hours (Escherichia coli, in vivo).","Description":"Purified, natural (n is for natural) glycosylated human interferon alpha proteins 166 residues","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of venereal or genital warts caused by the Human Papiloma Virus","Toxicity":"","MechanismOfAction":"Interferon alpha binds to type I interferon receptors (IFNAR1 and IFNAR2c) which, upon dimerization, activate two Jak (Janus kinase) tyrosine kinases (Jak1 and Tyk2). These transphosphorylate themselves and phosphorylate the receptors. The phosphorylated INFAR receptors then bind to Stat1 and Stat2 (signal transducers and activators of transcription)which dimerize and activate multiple (~100) immunomodulatory and antiviral proteins. Interferon alpha binds less stably to type I interferon receptors than interferon beta.","Pharmacodynamics":"Upregulates the expression of MHC I proteins, allowing for increased presentation of peptides derived from viral antigens. This enhances the activation of CD8+ T cells that are the precursors for cytotoxic T lymphocytes (CTLs) and makes the macrophage a better target for CTL-mediated killing. Interferon alpha also induce the synthesis of several key antiviral mediators, including 2'-5' oligoadenylate synthetase (2'-5' A synthetase) and protein kinase R.","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00651"},{"ID":"DB01303"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00012","Name":"Darbepoetin alfa","DrugType":"biotech","HalfLife":"","Description":"Human erythropoietin with 2 aa substitutions to enhance glycosylation (5 N-linked chains), 165 residues (MW=37 kD). Produced in Chinese hamster ovary (CHO) cells by recombinant DNA technology.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of anemia (from renal transplants or certain HIV treatment)","Toxicity":"","MechanismOfAction":"Darbepoetin alfa stimulates erythropoiesis by the same mechanism as endogenous erythropoietin. Erythropoietin interacts with\r\nprogenitor stem cells to increase red cell production. Binding of erythropoietin to the erythropoietin receptor leads to receptor dimerization, which facilitates activation of JAK-STAT signaling pathways within the cytosol. Activated STAT (signal transducers and activators of transcription) proteins are then translocated to the nucleus where they serve as transcription factors which regulate the activation of specific genes involved in cell division or differentiation.","Pharmacodynamics":"Darbepoetin alfa is used in the treatment of anemia. It is involved in the regulation of erythrocyte differentiation and the maintenance of a physiological level of circulating erythrocyte mass.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00013","Name":"Urokinase","DrugType":"biotech","HalfLife":"12 minutes. Small fractions of the administered dose are excreted in bile and urine","Description":"Low molecular weight form of human urokinase, that consists of an A chain of 2,000 daltons linked by a sulfhydryl bond to a B chain of 30,400 daltons. Recombinant urokinase plasminogen activator","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Urokinase can be used for the treatment of pulminary embolism, coronary artery thrombosis, IV catheter clearance, and venous and arterial blood clots.","Toxicity":"","MechanismOfAction":"Urokinase acts on the endogenous fibrinolytic system. It cleaves the Arg-Val bond in plasminogen to produce active plasmin. Plasmin degrades fibrin clots as well as fibrinogen and other plasma proteins.","Pharmacodynamics":"Urokinase is used for the treatment of pulmonary embolisms. The low molecular weight form of human urokinase consists of an A chain of 2,000 daltons linked by a sulfhydryl bond to a B chain of 30,400 daltons. Urokinase is an enzyme (protein) produced by the kidney, and found in the urine. There are two forms of urokinase which differ in molecular weight but have similar clinical effects. Urokinase is the low molecular weight form. Urokinase acts on the endogenous fibrinolytic system. It converts plasminogen to the enzyme plasmin. Plasmin degrades fibrin clots as well as fibrinogen and some other plasma proteins.","Absorption":"","Interactions":[{"ID":"DB06692"},{"ID":"DB00055"},{"ID":"DB01381"},{"ID":"DB01404"}],"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":[{"ID":"SMP00284","Drugs":["DB00013","DB01373"]}]},{"ID":"DB00014","Name":"Goserelin","DrugType":"small molecule","HalfLife":"4-5 hours","Description":"Goserelin is a synthetic hormone. In men, it stops the production of the hormone testosterone, which may stimulate the growth of cancer cells. In women, goserelin decreases the production of the hormone estradiol (which may stimulate the growth of cancer cells) to levels similar to a postmenopausal state. When the medication is stopped, hormone levels return to normal.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used to treat hormone-sensitive cancers of the breast (in pre- and peri- menopausal women) and prostate, and some benign gynaecological disorders (endometriosis, uterine fibroids and endometrial thinning). In addition, goserelin is used in assisted reproduction and in the treatment of precocious puberty.","Toxicity":"No experience of overdosage from clinical trials.","MechanismOfAction":"Goserelin is a synthetic decapeptide analogue of LHRH. Goserelin acts as a potent inhibitor of pituitary gonadotropin secretion when administered in the biodegradable formulation. The result is sustained suppression of LH and serum testosterone levels.","Pharmacodynamics":"The pharmacokinetics of goserelin have been determined in both male and female healthy volunteers and patients. In these studies, goserelin was administered as a single 250µg (aqueous solution) dose and as a single or multiple 3.6 mg depot dose by subcutaneous route.","Absorption":"Inactive orally, rapidly absorbed following subcutaneous administration.","Interactions":null,"Salts":[{"ID":"DBSALT000093","Name":"Goserelin acetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00015","Name":"Reteplase","DrugType":"biotech","HalfLife":"","Description":"Human tissue plasminogen activator, purified, glycosylated, 355 residues purified from CHO cells. Retavase is considered a \"third-generation\" thrombolytic agent, genetically engineered to retain and delete certain portions of human tPA. Retavase is a deletion mutein of human tPA formed by deleting various amino acids present in endogenous human tPA. Retavase contains 355 of the 527 amino acids of native human tPA (amino acids 1-3 and 176-527), and retains the activity-related kringle-2 and serine protease domains of human tPA. Three domains are deleted from retavase - kringle-1, finger, and epidermal growth factor (EGF).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For lysis of acute pulmonary emboli, intracoronary emboli and management of myocardial infarction","Toxicity":"","MechanismOfAction":"Reteplase binds to fibrin rich clots via the fibronectin finger-like domain and the Kringle 2 domain. The protease domain then cleaves the Arg/Val bond in plasminogen to form plasmin. Plasmin in turn degrades the fibrin matrix of the thrombus, thereby exerting its thrombolytic action. ","Pharmacodynamics":"Reteplase cleaves the Arg/Val bond in plasminogen to form plasmin. Plasmin in turn degrades the fibrin matrix of the thrombus, thereby exerting its thrombolytic action. This helps eliminate blood clots or arterial blockages that cause myocardial infarction.","Absorption":"","Interactions":[{"ID":"DB01381"},{"ID":"DB00208"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00285","Drugs":["DB00015","DB01373"]}]},{"ID":"DB00016","Name":"Epoetin alfa","DrugType":"biotech","HalfLife":"","Description":"Human erythropoietin (recombinant), produced by CHO cells.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of anemia (from renal transplants or certain HIV treatment)","Toxicity":"","MechanismOfAction":"Binding of erythropoietin to the erythropoietin receptor leads to receptor dimerization, which facilitates activation of JAK-STAT signaling pathways within the cytosol. Activated STAT (signal transducers and activators of transcription) proteins are then translocated to the nucleus where they serve as transcription factors which regulate the activation of specific genes involved in cell division or differentiation.","Pharmacodynamics":"Used in the treatment of anemia. Involved in the regulation of erythrocyte differentiation and the maintenance of a physiological level of circulating erythrocyte mass.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00017","Name":"Salmon Calcitonin","DrugType":"biotech","HalfLife":"Half-life elimination (terminal): I.M. 58 minutes; SubQ 59 to 64 minutes; Nasal: ~18 to 23 minutes ","Description":"Synthetic peptide, 32 residues long formulated as a nasal spray.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used in the treatment of symptomatic Paget's disease for patients unresponsive to alternate treatments or intolerant to such treatments. In addition, it is used in emergency situations when serum calcium levels must be decreased quickly until the underlying condition is identified. It can also be added to existing therapeutic regimens for hypercalcemia such as intravenous fluids and furosemide, oral phosphate or corticosteroids, or other agents. Calcitonin can be used in patients with azotemia and cases where intravenous fluids would be contraindicated due to limited cardiac reserves. Also for the treatment of post-menopausal osteoporosis in women more than 5 years post-menopause. ","Toxicity":"Salmon calcitonin was shown to inhibit lactation in animals and is not recommend in nursing mothers. While research in animals have shown a decrease in fetal weight, no studies have yet shown similar results in humans. It is recommended however to proceed carefully when administering salmon calcitonin to pregnant women and consider if the benefits outweigh the risks. Because of its protein nature, salmon calcitonin may provoke an allergy reaction (bronchospams and swelling of the tongue/throat) that can turn into a full-blown anaphylactic response. The manufacturer also reports an increase in the risk of malignancies from oral route (0.7%) to intranasal route (2.4%) compared to placebo. The same may apply to IV, IM and SC routes since the systemic exposure is higher in those cases.\r\nNausea is noticeable in some patients but tends to decrease with continued administration. Rhinitis, headaches and back pain have also been reported among others. ","MechanismOfAction":"Calcitonin binds to the calcitonin receptor (found primarily in osteoclasts) which then enhances the production of vitamin D producing enzymes (25-hydroxyvitamine D-24-hydroxylase), leading to greater calcium retention and enhanced bone density. Binding of calcitonin to its receptor also activates adenylyl cyclase and the phosphatidyl-inositol-calcium pathway.","Pharmacodynamics":"Calcitonin inhibits bone resorption by osteoclasts (bone remodeling cells) and promotes bone formation by osteoblasts. This leads to a net increase in bone mass and a reduction in plasma calcium levels. It also promotes the renal excretion of ions such as calcium, phosphate, sodium, magnesium, and potassium by decreasing tubular reabsorption. In consequence, there is an increase in the jejunal secretion of water, sodium, potassium, and chloride.","Absorption":"Salmon calcitonin is rapidly absorbed and eliminated. Bioavailability following subcutaneous and intramuscular injection in humans is high and similar for the two routes of administration (71% and 66%, respectively). Via the nasal route, the bioavailability varies between 3 to 5% relative to IM.","Interactions":[{"ID":"DB01356"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00018","Name":"Interferon alfa-n3","DrugType":"biotech","HalfLife":"","Description":"Purified, natural (n is for natural) human interferon alpha proteins (consists of 3 forms or polymorphisms including 2a, 2b and 2c). 166 residues, some are glycosylated (MW range from 16 kD to 27 kD).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the intralesional treatment of refractory or recurring external condylomata acuminata.","Toxicity":"","MechanismOfAction":"Interferon alpha binds to type I interferon receptors (IFNAR1 and IFNAR2c) which, upon dimerization, activate two Jak (Janus kinase) tyrosine kinases (Jak1 and Tyk2). These transphosphorylate themselves and phosphorylate the receptors. The phosphorylated INFAR receptors then bind to Stat1 and Stat2 (signal transducers and activators of transcription) which dimerize and activate multiple (~100) immunomodulatory and antiviral proteins. Interferon alpha binds less stably to type I interferon receptors than interferon beta.","Pharmacodynamics":"Interferon alfa-n3 upregulates the expression of MHC I proteins, allowing for increased presentation of peptides derived from viral antigens. This enhances the activation of CD8+ T cells that are the precursors for cytotoxic T lymphocytes (CTLs) and makes the macrophage a better target for CTL-mediated killing. Interferon alpha also induce the synthesis of several key antiviral mediators, including 2'-5' oligoadenylate synthetase (2'-5' A synthetase), beta-2 microglobulin, neopterin and protein kinase R.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00019","Name":"Pegfilgrastim","DrugType":"biotech","HalfLife":"15-80 hrs","Description":"PEGylated (at N terminus) form of human G-CSF (Granulocyte colony stimulating factor), 175 residues, produced from E. coli via bacterial fermentation.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Increases leukocyte production, for treatment in non-myeloid cancer, neutropenia and bone marrow transplant","Toxicity":"","MechanismOfAction":"Pegfilgrastim binds to the G-CSF receptor. As a G-CSF analog, it controls proliferation of committed progenitor cells and influences their maturation into mature neutrophils. Pegfilgrastim also stimulates the release of neutrophils from bone marrow storage pools and reduces their maturation time. Pegfilgrastim acts to increase the phagocytic activity of mature neutrophils. In patients receiving cytotoxic chemotherapy, pegfilgrastim can accelerate neutrophil recovery, leading to a reduction in duration of the neutropenic phase","Pharmacodynamics":"Used in the treatment of chemotherapy-induced neutropenia by enhancing the production of neutrophils. Pegfilgrastim acts on hematopoietic cells by binding to specific cell surface receptors thereby stimulating proliferation, differentiation, commitment, and end cell functional activation. Pegfilgrastim has reduced renal clearance and prolonged persistence in vivo as compared to Filgrastim.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00020","Name":"Sargramostim","DrugType":"biotech","HalfLife":"","Description":"Sargramostim is a human recombinant granulocyte macrophage colony-stimulating factor (GM-CSF) expressed in yeast. It is a glycoprotein that is 127 residues. Substitution of Leu23 leads to a difference from native protein.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of cancer and bone marrow transplant","Toxicity":"","MechanismOfAction":"Sargramostim binds to the Granulocyte-macrophage colony stimulating factor receptor (GM-CSF-R-alpha or CSF2R) which stimulates a JAK2 STAT1/STAT3 signal transduction pathway. This leads to the production of hemopoietic cells and neutrophils","Pharmacodynamics":"Sargramostim is used in the treatment of bone marrow transplant recipients or those exposed to chemotherapy an recovering from acut myelogenous leukemia, Leukine or GM-CSF is a hematopoietic growth factor which stimulates the survival, clonal expansion (proliferation) and differentiation of hematopoietic progenitor cells. GM-CSF is also capable of activating mature granulocytes and macrophages. After a bone marrow transplant or chemotherapy, patients have a reduced capacity to produce red and white blood cells. Supplementing them with external sources of GM-CSF helps bring the level of neutrophils back to normal so that they can better fight infections.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00021","Name":"Secretin","DrugType":"biotech","HalfLife":"","Description":"This drug is the synthetic form of natural secretin. It is prepared using solid phase peptide synthesis. Secretin is a peptide hormone produced in the S cells of the duodenum. Its main effect is to regulate the pH of the small intestine’s contents through the control of gastric acid secretion and buffering with bicarbonate. It was the first hormone to be discovered.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For diagnosis of pancreatic exocrine dysfunction and gastrinoma","Toxicity":"","MechanismOfAction":"Secretin binds to the secretin receptor found on the lining of S cells in the duodenum and G cells in the stomach. Binding leads to the secrection of bicarbonate or the reduction of the secretion of gastrin. Properly functioning organs (duodenum, pancreas and stomach) should be responsive to this hormone","Pharmacodynamics":"Used in the diagnosis of pancreatic dysfunction or gastrinoma (stomach cancer), secretin is a hormone produced in the S cells of the duodenum in response to low local pH. It stimulates the secretion of bicarbonate from bicarbonate producing organs(liver, pancreas, Brunner's glands) when the pH drops below a set value. This helps neutralize the gastric acid entering the duodenum from the stomach. It also inhibits acid secretion from the stomach by reducing gastrin release from the G cells of the stomach.","Absorption":"","Interactions":[{"ID":"DB00771"},{"ID":"DB01409"},{"ID":"DB01036"},{"ID":"DB00376"},{"ID":"DB00662"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00022","Name":"Peginterferon alfa-2b","DrugType":"biotech","HalfLife":"The mean elimination half-life is approximately 40 hours (range 22 to 60 hours) in patients with HCV infection.\r\n\r\n","Description":"Peginterferon alfa-2b is a covalent conjugate of recombinant alfa-2b interferon with monomethoxy polyethylene glycol (PEG). The average molecular weight of the PEG portion of the molecule is 12,000 daltons. The average molecular weight of the PEG-Intron molecule is approximately 31,000 daltons. The specific activity of peginterferon alfa-2b is approximately 0.7 x 108 IU/mg protein. Interferon alfa-2b is a water-soluble protein with a molecular weight of 19,271 daltons produced by recombinant DNA techniques. It is obtained from the bacterial fermentation of a strain of \u003ci\u003eEscherichia coli\u003c/i\u003e bearing a genetically engineered plasmid containing an interferon gene from human leukocytes. The PEG strand protects the molecule in vivo from proteolytic breakdown, substantially increases its in vivo half-life, and reduces immunogenicity by wrapping around and physically hindering access to the protein portion of the molecule.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of chronic hepatitis C in patients not previously treated with interferon alpha who have compensated liver disease and are at least 18 years of age.","Toxicity":"","MechanismOfAction":"Interferon alpha binds to type I interferon receptors (IFNAR1 and IFNAR2c) which, upon dimerization, activate two Jak (Janus kinase) tyrosine kinases (Jak1 and Tyk2). These transphosphorylate themselves and phosphorylate the receptors. The phosphorylated INFAR receptors then bind to Stat1 and Stat2 (signal transducers and activators of transcription)which dimerize and activate multiple (~100) immunomodulatory and antiviral proteins. Interferon alpha binds less stably to type I interferon receptors than interferon beta.","Pharmacodynamics":"Upregulates the expression of MHC I proteins, allowing for increased presentation of peptides derived from viral antigens. This enhances the activation of CD8+ T cells that are the precursors for cytotoxic T lymphocytes (CTLs) and makes the macrophage a better target for CTL-mediated killing. Interferon alpha also induce the synthesis of several key antiviral mediators, including 2'-5' oligoadenylate synthetase (2'-5' A synthetase) and protein kinase R.","Absorption":"Following a single subcutaneous dose of peginterferon alfa-2b, the mean absorption half-life (t\u0026frac12; k\u003csub\u003ea\u003c/sub\u003e) was 4.6 hours.\r\n","Interactions":[{"ID":"DB01223"},{"ID":"DB00651"},{"ID":"DB01303"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00023","Name":"Asparaginase","DrugType":"biotech","HalfLife":"8-30 hrs","Description":"L-asparagine amidohydrolase from E. coli","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of acute lympocytic leukemia and non-Hodgkins lymphoma","Toxicity":"","MechanismOfAction":"Asparaginase converts asparagine to aspartic acid and ammonia. It facilitates production of oxaloacetate which is needed for general cellular metabolism. Some malignant cells lose the ability to produce asparagine and so the loss of exogenous sources of asparagine leads to cell death.","Pharmacodynamics":"In a significant number of patients with acute leukemia, the malignant cells are dependent on an exogenous source of asparagine for survival. Normal cells, however, are able to synthesize asparagine and thus are affected less by the rapid depletion produced by treatment with the enzyme asparaginase. Elspar exploits a metabolic defect in asparagine synthesis of some malignant cells.","Absorption":"","Interactions":[{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00024","Name":"Thyrotropin Alfa","DrugType":"biotech","HalfLife":"25 ± 10 hours","Description":"Thyrotropin alfa is a recombinant form of thyroid stimulating hormone used in performing certain tests in patients who have or have had thyroid cancer. It is also used along with a radioactive agent to destroy remaining thyroid tissue in certain patients who have had their thyroid gland removed because of thyroid cancer. It is a heterodimeric glycoprotein comprised of two non-covalently linked subunits, an alpha subunit of 92 amino acid residues containing two N-linked glycosylation sites and a beta subunit of 112 residues containing one N-linked glycosylation site. The alpha subunit is nearly identical to that of human chorionic gonadotropin (hCG), luteinizing hormone (LH), and follicle-stimulating hormone (FSH). The alpha subunit is thought to be the effector region responsible for stimulation of adenylate cyclase (involved the generation of cAMP). The beta subunit (TSHB) is unique to TSH, and therefore determines its receptor specificity. The amino acid sequence of thyrotropin alfa is identical to that of human pituitary thyroid stimulating hormone.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For detection of residueal or recurrent thyroid cancer","Toxicity":"No difference in efficacy and toxicity between adult and geriatric patients. No studies in lactating women, pregnant women and pediatrics. Cautionary administration is advised. ","MechanismOfAction":"Thyrotropin Alfa binds to the thyrotropin receptors found on any residual thyroid cells or tissues. This stimulates radioactive iodine uptake for better radiodiagnostic imaging.","Pharmacodynamics":"Binding of thyrotropin alfa to TSH receptors on normal thyroid epithelial cells or on well-differentiated thyroid cancer tissue stimulates iodine uptake and organification. Thyrogen is an exogenous source of human TSH that offers an additional diagnostic tool in the follow-up of patients with a history of well-differentiated thyroid cancer.","Absorption":"Time to peak: Median: 10 hours (range: 3-24 hours)\r\nAfter a single intramuscular injection of 0.9 mg of thyrotropin alfa: Cmax= 116+38mU/L, Tmax=22+8.5 hours. AUC=5088+1728 mU·hr/L.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00025","Name":"Antihemophilic Factor","DrugType":"biotech","HalfLife":"8.4-19.3 hrs","Description":"Human recombinant antihemophilic factor (AHF) or Factor VIII, 2332 residues, glycosylated, produced by CHO cells","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of hemophilia A, von Willebrand disease and Factor XIII deficiency.","Toxicity":"","MechanismOfAction":"Antihemophilic factor (AHF) is a protein found in normal plasma which is necessary for clot formation. The administration of AHF provides an increase in plasma levels of AHF and can temporarily correct the coagulation defect of patients with hemophilia A (classical hemophilia).","Pharmacodynamics":"Antihemophilic Factor binds factor IXa along with calcium and phospholipid, This complex converts factor X to factor Xa to facilitate clotting cascade.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00026","Name":"Anakinra","DrugType":"biotech","HalfLife":"Healthy subjects = 4 - 6 hours;\r\nNOMID patients = 5.7 hours (range of 3.1 - 28.2 hours). ","Description":"Anakinra is a recombinant, nonglycosylated human interleukin-1 receptor antagonist (IL-1Ra). The difference between anakinra and the native human IL-1Ra is that anakinra has an extra methionine residue at the amino terminus. It is manufactured by using the E. coli expression system. Anakinra is composed of 153 amino acid residues. FDA approved on November 14, 2001. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of adult rheumatoid arthritis and treatment of Neonatal-Onset Multisystem Inflammatory Disease (NOMID). ","Toxicity":"Most common adverse reactions (incidence ≥ 5%) are injection site reaction, worsening of rheumatoid arthritis, upper respiratory tract infection, headache, nausea, diarrhea, sinusitis, arthralgia, flu like-symptoms, and abdominal pain when anakinra is used in RA patients. In NOMID patients, the most common AEs during the first 6 months of treatment (incidence \u003e10%) are injection site reaction, headache, vomiting, arthralgia, pyrexia, and nasopharyngitis. ","MechanismOfAction":"Anakinra binds competitively to the Interleukin-1 type I receptor (IL-1RI), thereby inhibiting the action of elevated levels IL-1 which normally can lead to cartilage degradation and bone resorption.","Pharmacodynamics":"Used to treat rheumatoid arthritis, Anakinra blocks the biologic activity of IL-1 by competitively inhibiting IL-1 binding to the interleukin-1 type I receptor (IL-1RI), which is expressed in a wide variety of tissues and organs. IL-1 production is induced in response to inflammatory stimuli and mediates various physiologic responses including inflammatory and immunological responses. Patients with rheumatoid arthritis have elevated levels of IL-1. The levels of the naturally occurring IL-1Ra in synovium and synovial fluid from rheumatoid arthritis (RA) patients are not sufficient to compete with the elevated amount of locally produced IL-1. Increasing the levels of IL-1Ra by artificial means reduces the negative effects (cartilage degradation, bone resorption) of IL-1.","Absorption":"When a 70 mg subcutaneous bolus injection is given to healthy subjects, the absolute bioavailability is 95%. Accumulation does not occur following daily subcutaneous doses. \r\nTmax, SubQ, 1-2 mg/kg, healthy subjects = 3-7 hours;\r\nCmax, SubQ, 3 mg/kg once daily, NOMID patients = 3628 ng/mL. \r\n","Interactions":[{"ID":"DB01281"},{"ID":"DB06168"},{"ID":"DB08904"},{"ID":"DB00005"},{"ID":"DB06674"},{"ID":"DB00065"},{"ID":"DB06372"},{"ID":"DB01041"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00027","Name":"Gramicidin D","DrugType":"biotech","HalfLife":"","Description":"Gramcidin D is a heterogeneous mixture of three antibiotic compounds, gramicidins A, B and C, making up 80%, 6%, and 14% respectively all of which are obtained from the soil bacterial species Bacillus brevis and called collectively gramicidin D. Gramcidins are 15 residue peptides with alternating D and L amino acids. The peptides assemble inside of the hydrophobic interior of the cellular lipid bilayer to form a β-helix. The helix itself is not long enough to span the membrane but it dimerizes to form the elongated channel needed to span the whole membrane. Gramicidin D is used primarily as a topical antibiotic and is one of the three constituents of consumer antibiotic polysporin ophthalmic solution.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of skin lesions, surface wounds and eye infections","Toxicity":"","MechanismOfAction":"Gramicidin D binds to and inserts itself into bacterial membranes (with a strong preference to gram-positive cell membranes). This results in membrane disruption and permeabilization (it acts as a channel). This leads to (i) loss of intracellular solutes (e.g., K+ and amino acids); (ii) dissipation of the transmembrane potential; (iii) inhibition of respiration; (iv) a reduction in ATP pools; and (v) inhibition of DNA, RNA, and protein synthesis, which leads to cell death.","Pharmacodynamics":"Gramicidin is particularly effective against gram-positive bacteria. Because the drug is highly hemolytic, it cannot be administered internally and so is used only on the skin as a lotion or ointment. It is used primarily in the treatment of infected surface wounds, and in eye, nose, and throat infections. It is normally given with two other antibiotics (neomycin and polymixin B) as an ophthalmic solution","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00028","Name":"Intravenous Immunoglobulin","DrugType":"biotech","HalfLife":"\u003e20 hours (mammalian reticulocytes, in vitro).","Description":"Intravenous immunoglobulin (IVIg) is a mixture of IgG1 and other antibodies derived from healthy human plasma via Cohn fractionation. The purification process includes cold alcohol fractionation, polyethylene glycol precipitation, and ion exchange chromatography. IVIg contains the same distribution of IgG antibody subclasses as is found in the general human population. IgG subclasses are fully represented in the following proportions: 70.3% IgG1, 24.7% IgG2, 3.1% IgG3, and 1.9% IgG4. IVIg is used in the treatment of immunodeficiencies, as well as autoimmune and inflammatory disorders.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"IVIg is used in the treatment of immunodeficiencies, as well as autoimmune and inflammatory disorders. These indications includes idiopathic thrombocytopenic purpura, Kawasaki disease, hypogammaglobulinemia, B cell chronic lymphocytic leukemia, bone marrow transplant complications, Guillain-Barré syndrome, chronic inflammatory demyelinating polyneuropathy (CIDP), multiple sclerosis, rheumatoid arthritis, myesthenia gravis, Wiskott–Aldrich syndrome and inflammatory skin diseases.","Toxicity":"","MechanismOfAction":"IVIg interacts with a number of different components of the immune system, including cytokines, complement, Fc receptors and several cell surface immunocompetent molecules. IVIg also impacts different effector cells of the immune system (B and T lymphocytes, dendritic cells, etc.) and regulates a wide range of genes. Its main mechanism of actions are believed to be Fc-dependent and F(ab')2-dependent. IVIg competitively blocks gamma Fc receptors, preventing the binding and ingestion of phagocytes and suppressing platelet depletion. IVIg contains a number of different antobodies, which prevent infection by attaching to the surface of invading pathogens and aiding in their disposal before they can infect cells. Antibodies remove pathogens via complement activation, agglutination or precipitation, pathogen receptor blocking, macrophage “tagging” or neutralization (via binding) of pathogen toxins. Intact IVIg and F(ab′)2 fragments of IVIg can also neutralize the activity of various autoantibodies. By triggering the production of interleukin-1 receptor antagonist, IVIg modulates of the production of cytokines and cytokine antagonists. It also prevents the generation of the C5b-9 membrane attack complex and subsequent complement-mediated tissue damage by binding active complement components.","Pharmacodynamics":"Used as a replacement therapy in inherited humoral immunodeficiency disorders such as severe combined immunodeficiency syndrome, x-linked agammaglobulinemia, and Wiskott-Aldrich Syndrome. The immunoglobulins target, bind and kill bacterial cells as well as viral particles. IgG is the monomeric immunoglobulin of which there are four subclasses (IgG1, IgG2, IgG3 and IgG4) in differing abundances (66%, 23%, 7% and 4%). IgAs represent about 15% of the immunoglobulins in the blood. These target inhaled or ingested pathogens.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00029","Name":"Anistreplase","DrugType":"biotech","HalfLife":"","Description":"Human tissue plasminogen activator, purified, glycosylated, 527 residues purified from CHO cells. Eminase is a lyophilized (freeze-dried) formulation of anistreplase, the p-anisoyl derivative of the primary Lys-plasminogen-streptokinase activator complex (a complex of Lys-plasminogen and streptokinase). A p-anisoyl group is chemically conjugated to a complex of bacterial-derived streptokinase and human Plasma-derived Lys-plasminogen proteins.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For lysis of acute pulmonary emboli, intracoronary emboli and management of myocardial infarction","Toxicity":"","MechanismOfAction":"Anistreplase cleaves the Arg/Val bond in plasminogen to form plasmin. This in turn leads to the degradation of blood clots.","Pharmacodynamics":"Anistreplase cleaves the Arg/Val bond in plasminogen to form plasmin. Plasmin in turn degrades the fibrin matrix of the thrombus, thereby exerting its thrombolytic action. This helps eliminate blood clots or arterial blockages that cause myocardial infarction.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00281","Drugs":["DB00029","DB01373"]}]},{"ID":"DB00030","Name":"Insulin Regular","DrugType":"biotech","HalfLife":"","Description":"Insulin regular is a 51 residue peptide hormone, composed of two amino acid chains covalently linked by disulfide bonds. The structure is identical to native human insulin. Recombinant insulin is synthesized by recombinant DNA techncology. Inserting the human insulin gene into the Escherichia coli bacteria or Saccharomyces cerevisiae produces insulin for human use. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Indicated as an adjunct to diet and exercise to improve glycemic control in adults and children with type 1 and type 2 diabetes mellitus. ","Toxicity":"Hypoglycemia is one of the most frequent adverse events experienced by insulin users. ","MechanismOfAction":"The primary activity of insulin is the regulation of glucose metabolism. Insulin promotes glucose and amino acid uptake into muscle and adipose tissues, and other tissues except brain and liver. It also has an anabolic role in stimulating glycogen, fatty acid, and protein synthesis. Insulin inhibits gluconeogenesis in the liver.\r\nInsulin binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor is able to autophosphorylate and phosphorylate numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. These activated proteins, in turn, lead to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC) which play a critical role in metabolism and catabolism.","Pharmacodynamics":"Insulin regular is a short-acting insulin. When subcutaneously administered, the onset of action (as evidenced by a decrease in glucose level) occurs 30 minutes post-dose. Maximal effect occurs between 1.5 and 3.5 hours post-dose. The glucose-lowering effect occurs 8 hours post-dose. Compared to other rapid-acting insulin analogs, insulin regular has a slower onset of action and longer duration of action. ","Absorption":"Insulin is generally well absorbed. ","Interactions":[{"ID":"DB06655"}],"Salts":null,"Groups":{"approved":true,"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB00031","Name":"Tenecteplase","DrugType":"biotech","HalfLife":"1.9 hours (mammalian reticulocytes, in vitro)\r\n\u003e20 hours (yeast, in vivo)\r\n\u003e10 hours (Escherichia coli, in vivo)","Description":"Tissue plasminogen activator (tPA). Tenecteplase is a 527 amino acid glycoprotein developed by introducing the following modifications to the complementary DNA (cDNA) for natural human tPA: a substitution of threonine 103 with asparagine, and a substitution of asparagine 117 with glutamine, both within the kringle 1 domain, and a tetra-alanine substitution at amino acids 296-299 in the protease domain.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of myocardial infarction and lysis of intracoronary emboli","Toxicity":"","MechanismOfAction":"Tenecteplase binds to fibrin rich clots via the fibronectin finger-like domain and the Kringle 2 domain. The protease domain then cleaves the Arg/Val bond in plasminogen to form plasmin. Plasmin in turn degrades the fibrin matrix of the thrombus, thereby exerting its thrombolytic action. ","Pharmacodynamics":"Tenecteplase is a fibrin-specific tissue-plasminogen activator. It binds to fibrin rich clots and cleaves the Arg/Val bond in plasminogen to form plasmin. Plasmin in turn degrades the fibrin matrix of the thrombus, thereby exerting its thrombolytic action. This helps eliminate blood clots or arterial blockages that cause myocardial infarction.","Absorption":"","Interactions":[{"ID":"DB06692"},{"ID":"DB00055"},{"ID":"DB01381"},{"ID":"DB01404"},{"ID":"DB00208"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00283","Drugs":["DB00031","DB01373"]}]},{"ID":"DB00032","Name":"Menotropins","DrugType":"biotech","HalfLife":"","Description":"Menotropins contains follicle stimulating hormone (FSH) and luteinizing hormone (LH) purified from the urine of postmenopausal women. It is used as a fertility medication that is injected either subcutaneously or intramuscularly. It is composed of LH with 2 subunits, alpha = 92 residues, beta = 121 residues and FSH with 2 subunits, alpha = 92 residues, beta=111 residues.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of female infertility","Toxicity":"","MechanismOfAction":"Being a combination drug, Menotropins bind to the Follicle stimulating hormone receptor (which results in ovulation in the absence of sufficient endogenous Luteinizing hormone)and It also binds to the LH receptor, thereby stimulating proper hormone release. The drug contains both FSH and LH,therefore, it induces ovarian follicular growth and development as well as gonadal steroid production in women who do not have ovarian failure.FSH is the primary driver of follicular recruitment and growth in early folliculogenesis, while LH is important for ovarian steroidogenesis and is involved in the physiological events leading to development of a competent pre-ovulatory follicle","Pharmacodynamics":"Used to treat female infertility, Menotropins stimulates late follicular maturation and resumption of oocyte meiosis, and initiates rupture of the pre-ovulatory ovarian follicle. Menotropins bind to the LH/hCG/FSH receptor of the granulosa and theca cells of the ovary to effect these changes in the absence of an endogenous LH surge.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00033","Name":"Interferon gamma-1b","DrugType":"biotech","HalfLife":"","Description":"Human Interferon gamma-1b (140 residues), produced from E. coli. Production of Actimmune is achieved by fermentation of a genetically engineered Escherichia coli bacterium containing the DNA which encodes for the human protein. Purification of the product is achieved by conventional column chromatography. \r\nThe sequence displayed is a cDNA sequence which codes for human interferon gamma, as described by Gray et. al. and not specifically interferon gamma 1b.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Interferon gamma-1b is used for the treatment of Chronic granulomatous disease and Osteopetrosis.","Toxicity":"","MechanismOfAction":"Binds directly to the type II interferon gamma receptor IFNGR1, leading to a complex of IFNGR1 and IFNGR2. This activates JAK1 and JAK2 kinases which form a STAT1 docking site. This leads to STAT1 phosphorylation, nuclear translocation and initiation of gene transcription of multiple immune-related genes.","Pharmacodynamics":"IFN gamma stimulates expression of the immunoglobulin heavy chain C gamma 3 and C gamma 2a germline transcripts in B cells. Many components of the antigen presentation pathways are also up-regulated by interferon gamma. It is also a potent activator of macrophages, it has antiproliferative effects on transformed cells and it can potentiate the antiviral and antitumor effects of type I interferons. Interferon gamma may also help the body regulate the activity of fibroblasts. By directly blocking the multiplication of fibroblasts and inhibiting the production and action of TGF-b, a potent scar-inducing molecule, Interferon gamma-1b may prevent excessive scarring.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00034","Name":"Interferon Alfa-2a, Recombinant","DrugType":"biotech","HalfLife":"The IM half-life of interferon alfa-2a is 6 hours to 8 hours; the half-life for IV infusion is 3.7 hours to 8.5 hours (mean 5.1 hours).","Description":"Interferon a (human leukocyte protein moiety reduced). A type I interferon consisting of 165 amino acid residues with lysine in position 23. This protein is produced by recombinant DNA technology and resembles interferon secreted by leukocytes. It is used extensively as an antiviral or antineoplastic agent. An oral form is being developed by Amarillo Biosciences.\r\n\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of chronic hepatitis C, hairy cell leukemia, AIDS-related Kaposi's sarcoma, and chronic myelogenous leukemia. Also for the treatment of oral warts arising from HIV infection.","Toxicity":"Interferon alfa-2 may cause serious adverse effects such as anemia; autoimmune diseases, including vasculitis, arthritis, hemolytic anemia, and erythematosus syndrome; cardiotoxicity; hepatotoxicity; hyperthyroidism or hypothyroidism; transient ischemic attacks; leukopenia; neurotoxicity; peripheral neuropathy; and thrombocytopenia. Some lesser side effects that may not need medical attention include blurred vision, change in taste or metallic taste, cold sores or stomatitis, diarrhea, dizziness, dry mouth, dry skin or itching, flu-like syndrome, increased sweating, leg cramps, loss of appetite, nausea or vomiting, skin rash, unusual tiredness, weight loss, and partial loss of hair.","MechanismOfAction":"Interferon alpha binds to type I interferon receptors (IFNAR1 and IFNAR2c) which, upon dimerization, activate two Jak (Janus kinase) tyrosine kinases (Jak1 and Tyk2). These transphosphorylate themselves and phosphorylate the receptors. The phosphorylated INFAR receptors then bind to Stat1 and Stat2 (signal transducers and activators of transcription)which dimerize and activate multiple (~100) immunomodulatory and antiviral proteins. Interferon alpha binds less stably to type I interferon receptors than interferon beta.","Pharmacodynamics":"Upregulates the expression of MHC I proteins, allowing for increased presentation of peptides derived from viral antigens. This enhances the activation of CD8+ T cells that are the precursors for cytotoxic T lymphocytes (CTLs) and makes the macrophage a better target for CTL-mediated killing. Interferon alpha also induce the synthesis of several key antiviral mediators, including 2'-5' oligoadenylate synthetase (2'-5' A synthetase) and protein kinase R.","Absorption":"Absorption is high (greater than 80%) when administered intramuscularly or subcutaneously.","Interactions":[{"ID":"DB01223"},{"ID":"DB00651"},{"ID":"DB01303"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00035","Name":"Desmopressin","DrugType":"small molecule","HalfLife":"Oral t\u003csub\u003e1/2\u003c/sub\u003e=1.5-2.5 hours. Intranasal t\u003csub\u003e1/2\u003c/sub\u003e=3.3-3.5 hours. IV t\u003csub\u003e1/2\u003c/sub\u003e is biphasic: initial t\u003csub\u003e1/2\u003c/sub\u003e=7.8 minutes, terminal t\u003csub\u003e1/2\u003c/sub\u003e=0.4-4 hours. ","Description":"Desmopressin is a chemical that is similar to Antidiuretic Hormone (ADH) which is found naturally in the body. It increases urine concentration and decreases urine production. Desmopressin is used to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certain medical conditions, allowing you to sleep through the night without awakening to urinate. It is also used to treat specific types of diabetes insipidus and conditions after head injury or pituitary surgery.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Oral formulations may be used to manage primary nocturnal enuresis in adults and vasopressin sensitive diabetes insipidus, and for control of temporary polyuria and polydipsia following head trauma or surgery in the pituitary region. Intranasal and parenteral formulations may be used to manage spontaneous or trauma-induced bleeds (e.g. hemarthrosis, intramuscular hematoma, mucosal bleeding) in patients with hemophilia A or von Willebrand's disease Type I. May also be used parenterally to prevent or treat bleeding in patients with uremia. ","Toxicity":"Overdose may lead to increased duration of action and lead to symptoms such as fluid retention, headaches, abdominal cramps, nausea, and facial flushing. Adverse effects include headache, nausea, abdominal pain, facial flushing, dizziness, dry mouth, and hyponatremia. Nasal congestion and rhinitis have been reported with nasal spray formulations. ","MechanismOfAction":"Desmopressin emulates the actions of endogenous human ADH (refer to Pharmacology section above). Desmpressin is a structural analogue of ADH modified by deamination of 1-cysteine and substitution of 8-L-arginine by 8-D-arginine. Compared to natural ADH, desmopressin elicits a great antidiuretic response on weight basis. ","Pharmacodynamics":"Desmopressin is a synthetic analogue of the natural antidiuretic hormone (ADH or vasopressin) that is produced by the hypothalamus and stored in the posterior pituitary gland. The main function of ADH is to regulate extracellular fluid volume in the body. ADH secretion is stimulated by angiotensin II, linking it to the renin-angiotensin-aldosterone system (RAAS). ADH stimulates water reabsorption in the kidneys by causing the insertion of aquaporin-2 channels on the apical surface of cells of the DCT and collecting tubules. It also causes vasoconstriction through its action on vascular smooth muscle cells of the collecting tubules. The efficacy of desmopressin for managing bleeds in patients with hemophilia A or von Willebrand’s disease Type I arises from its ability to elicit dose-dependent increases in plasma factor VIII (antihemophilic factor), plasminogen activator, and to a lesser extent, factor VIII-related antigen and ristocetin cofactor activities; these changes improve blood clotting. ","Absorption":"Minimally absorbed from the GI tract (average absolute bioavailability = 0.08-0.16%). 10-20% absorbed from nasal mucosa. ","Interactions":[{"ID":"DB01551"}],"Salts":[{"ID":"DBSALT000044","Name":"Desmopressin acetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00036","Name":"Coagulation factor VIIa","DrugType":"biotech","HalfLife":"","Description":"Recombinant human coagulation Factor VIIa (rFVIIa), intended for promoting hemostasis by activating the extrinsic pathway of the coagulation cascade.1 NovoSeven is a vitamin K-dependent glycoprotein consisting of 406 amino acid residues. Cloned and expressed in hamster kidney cells, the protein is catalytically active in a two-chain form.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of hemorrhagic complications in hemophilia A and B","Toxicity":"","MechanismOfAction":"NovoSeven activates the coagulation or clotting cascade by cleaving Factor IX and Factor X, which activates them and then leads to activation of thrombin and fibrin.","Pharmacodynamics":"Used in the treatment of bleeding episodes in hemophilia A or B. NovoSeven is recombinant Factor VIIa and, when complexed with tissue factor can activate coagulation Factor X to Factor Xa, as well as coagulation Factor IX to Factor IXa. Factor Xa, in complex with other factors, then converts prothrombin to thrombin, which leads to the formation of a hemostatic plug by converting fibrinogen to fibrin and thereby inducing local clotting.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00038","Name":"Oprelvekin","DrugType":"biotech","HalfLife":"6.9 +/- 1.7 hrs","Description":"Oprelvekin, the active ingredient in Neumega® is recombinant Interleukin eleven, which is produced in Escherichia coli (E. coli) by recombinant DNA technology. The protein has a molecular mass of approximately 19,000 daltons, and is non-glycosylated. The polypeptide is 177 amino acids in length (the natural IL-11 has 178). This alteration has not resulted in measurable differences in bioactivity either in vitro or in vivo.\r\n\r\nThe primary hematopoietic activity of Neumega® is stimulation of megakaryocytopoiesis and thrombopoiesis. In mice and nonhuman primate studies Neumega® has shown potent thrombopoietic activity in compromised hematopoiesis, including moderately to severely myelosuppressed animals. In these studies, Neumega® improved platelet nadirs and accelerated platelet recoveries compared to controls.\r\n\r\nIn animal studies Oprelvekin also has non-hematopoetic activities. This includes the regulation of intestinal epithelium growth (enhanced healing of gastrointestinal lesions), the inhibition of adipogenesis, the induction of acute phase protein synthesis (e.g., fibrinogen), and inhibition of macrophageal released pro-inflammatory cytokines.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Increases reduced platelet levels due to chemotherapy","Toxicity":"","MechanismOfAction":"Oprelvekin binds to the interleukin 11 receptor which leads to a cascade of signal transduction events. IL-11 is a thrombopoietic growth factor that directly stimulates the proliferation of hematopoietic stem cells and megakaryocyte progenitor cells and induces megakaryocyte maturation resulting in increased platelet production.","Pharmacodynamics":"Oprelvekin is indicated for the prevention of severe thrombocytopenia and the reduction of the need for platelet transfusions following myelosuppressive chemotherapy in adult patients with nonmyeloid malignancies who are at high risk of severe thrombocytopenia. The primary hematopoietic activity of Oprelvekin is stimulation of megakaryocytopoiesis and thrombopoiesis. Oprelvekin has shown potent thrombopoietic activity in individuals with compromised hematopoiesis","Absorption":"Absolute bioavailability is over 80%.","Interactions":[{"ID":"DB01551"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00039","Name":"Palifermin","DrugType":"biotech","HalfLife":"Elimination half-life: 4.5 hours (range: 3.3-5.7 hours)","Description":"Palifermin is a recombinant human keratinocyte growth factor (KGF). It is 140 residues long, and is produced using E. coli.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of oral mucositis associated with chemotherapy and radiation therapy.","Toxicity":"","MechanismOfAction":"Kepivance binds to the human keratinocyte growth factor (KGF) receptor found on buccal cell surfaces. The binding activates a Ras-MapK (Map kinase) signaling pathway which leads to the transcriptional activation of many proteins important for cell growth and survival.","Pharmacodynamics":"Used in the prevention or treatment of oral mucoscitis (mouth ulcers arising from chemotherapy), Kepivance binds to the human keratinocyte growth factor (KGF) receptor on buccal cell surfaces. Kepivance acts as both a cell growth and survival factor by stimulating epithelial cell proliferation, differentiation, and migration around the tongue and mouth. The KGF receptor is found on many tissues particularly around the tongue, esophagus, salivary gland and other gastro-intestinal tract organs.","Absorption":"","Interactions":[{"ID":"DB06769"},{"ID":"DB06813"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00040","Name":"Glucagon recombinant","DrugType":"biotech","HalfLife":"","Description":"29 residue peptide hormone. Glucagon is synthesized in a special non- pathogenic laboratory strain of Escherichia coli bacteria that has been genetically altered by the addition of the gene for glucagons","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of severe hypoglycemia, also used in gastrointestinal imaging","Toxicity":"","MechanismOfAction":"Glucagon binds the glucagon receptor, a G protein-coupled receptor located in the plasma membrane, which then initiates a dual signaling pathway using both adenylate cyclase activation and increased intracellular calcium. Adenylate cyclase manufactures cAMP (cyclic AMP), which activates protein kinase A (cAMP-dependent protein kinase). This enzyme, in turn, activates phosphorylase kinase, which, in turn, phosphorylates glycogen phosphorylase, converting into the active form called phosphorylase A. Phosphorylase A is the enzyme responsible for the release of glucose-1-phosphate from glycogen polymers. This yields glucose molecules to be released into the blood. Glucagon receptors are found in the liver, kidney, brain and pancreatic islet cells. The glucagon mediated signals lead to an increase in insulin excretion","Pharmacodynamics":"Used in the treatment of hypoglycemia and in gastric imaging, glucagon increases blood glucose concentration and is used in the treatment of hypoglycemia. Glucagon acts only on liver glycogen, converting it to glucose through the release of insulin. It also relaxes the smooth muscles of the gastrointestinal tract.","Absorption":"","Interactions":[{"ID":"DB00328"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00041","Name":"Aldesleukin","DrugType":"biotech","HalfLife":"13 min-85 min","Description":"Aldesleukin, a lymphokine, is produced by recombinant DNA technology using a genetically engineered E. coli strain containing an analog of the human interleukin-2 gene. Genetic engineering techniques were used to modify the human IL-2 gene, and the resulting expression clone encodes a modified human interleukin-2. This recombinant form differs from native interleukin-2 in the following ways: a) Aldesleukin is not glycosylated because it is derived from E. coli; b) the molecule has no N-terminal alanine; the codon for this amino acid was deleted during the genetic engineering procedure; c) the molecule has serine substituted for cysteine at amino acid position 125.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of adults with metastatic renal cell carcinoma.","Toxicity":"","MechanismOfAction":"Aldesleukin binds to the IL-2 receptor which leads to heterodimerization of the cytoplasmic domains of the IL-2R beta and gamma(c) chains, activation of the tyrosine kinase Jak3, and phosphorylation of tyrosine residues on the IL-2R beta chain. These events led to the creation of an activated receptor complex, to which various cytoplasmic signaling molecules are recruited and become substrates for regulatory enzymes (especially tyrosine kinases) that are associated with the receptor. These events stimulate growth and differentiation of T cells.","Pharmacodynamics":"Used to treat renal cell carcinoma, Aldesleukin induces the enhancement of lymphocyte mitogenesis and stimulation of long-term growth of human interleukin-2 dependent cell lines, the enhancement of lymphocyte cytotoxicity, the induction of killer cell (lymphokine-activated (LAK) and natural (NK)) activity; and the induction of interferon-gamma production. IL-2 is normally produced by the body, secreted by T cells, and stimulates growth and differentiation of T cell response. It can be used in immunotherapy to treat cancer. It enhances the ability of the immune system to kill tumor cells and may interfere with blood flow to the tumor.","Absorption":"","Interactions":[{"ID":"DB01013"},{"ID":"DB00838"},{"ID":"DB00363"},{"ID":"DB01285"},{"ID":"DB00476"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00042","Name":"Botulinum Toxin Type B","DrugType":"biotech","HalfLife":"","Description":"Neurotoxin produced by fermentation of clostridium botulinum type B. The protein exists in noncovalent association with hemagglutinin and nonhemagglutinin proteins as a neurotoxin complex. The neurotoxin complex is recovered from the fermentation process and purified through a series of precipitation and chromatography steps.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of patients with cervical dystonia to reduce the severity of abnormal head position and neck pain associated with cervical dystonia.","Toxicity":"One unit of Botulinum Toxin Type B corresponds to the calculated median lethal intraperitoneal dose (LD50) in mice.","MechanismOfAction":"Botulinum Toxin Type B binds to and cleaves the synaptic Vesicle Associated Membrane Protein (VAMP, also known as synaptobrevin) which is a component of the protein complex responsible for docking and fusion of the synaptic vesicle to the presynaptic membrane, a necessary step to neurotransmitter release.","Pharmacodynamics":"Botulinum Toxin Type B inhibits acetylcholine release at the neuromuscular junction via a three stage process: 1) Heavy Chain mediated neurospecific binding of the toxin, 2) internalization of the toxin by receptor-mediated endocytosis, and 3) ATP and pH dependent translocation of the Light Chain to the neuronal cytosol where it acts as a zinc-dependent endoprotease cleaving polypeptides essential for neurotransmitter release.","Absorption":"Though pharmacokinetic or ADME studies were not performed, Botulinum Toxin Type B is not expected to be present in the peripheral blood at measurable levels following IM injection at the recommended doses.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00043","Name":"Omalizumab","DrugType":"biotech","HalfLife":"26 days","Description":"A recombinant DNA-derived humanized IgG1k monoclonal antibody that selectively binds to human immunoglobulin E (IgE). Xolair is produced by a Chinese hamster ovary cell suspension culture in a nutrient medium containing the antibiotic gentamicin.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of asthma caused by allergies","Toxicity":"","MechanismOfAction":"Xolair binds to IgE (a class of antibodies normally secreted in allergic responses), which prevents their binding to mast cells and basophils.","Pharmacodynamics":"Xolair inhibits the binding of IgE to the high-affinity IgE receptor (FceRI) on the surface of mast cells and basophils. Reduction in surface-bound IgE on FceRI-bearing cells limits the degree of release of mediators of the allergic response. Xolair is used to treat severe, persisten asthma.","Absorption":"","Interactions":[{"ID":"DB08879"},{"ID":"DB06643"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00044","Name":"Lutropin alfa","DrugType":"biotech","HalfLife":"Biphasic; terminal half-life is approximately 18 hours.","Description":"Lutropin alfa is a recombinant human luteinizing hormone produced in yeast with 2 subunits, alpha = 92 residues, beta = 121 residues. It is a heterodimeric glycoprotein. Each monomeric unit is a glycoprotein molecule. In females, an acute rise of LH (\"LH surge\") triggers ovulation and the development of the corpus luteum. In males, it stimulates Leydig cell production of testosterone. Lutropin alfa was the first and only recombinant human form of luteinizing hormone (LH) developed for use in the stimulation of follicular development.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of infertility in women with hypothalamic or pituitary insufficiency (hypogonadotropic hypogonadism) and profound LH deficiency (LH \u003c1.2 international units [IU]/L)","Toxicity":"Lutropin alfa is not indicated for people under 16 and over 60, pregnant and lactating women, patients with uncontrolled thyroid and adrenal failure, patients with active, untreated tumours of the hypothalamus and pituitary gland, and in any patient with a condition that makes a normal pregnancy possible such as primary ovarian failure or fibroid tumors of the uterus. ","MechanismOfAction":"Luteinizing hormone binds to a receptor shared with the human chorionic gonadotropin hormone (hCG) on the ovarian theca (and granulosa) cells and testicular Leydig cells. This LH/CG transmembrane receptor is a member of the super-family of G protein-coupled receptors. Adenylate cyclase then activates many other pathways leading to steroid hormone production and other follicle maturation processes. ","Pharmacodynamics":"Used to facilitate female conception, lutropin alfa performs the same actions as luteinizing hormone (LH), which is normally produced in the pituitary gland. Lutropin is usually given in combination with follitropin alfa. Together they stimulate the development of a follicle to prepare the reproductive tract for implementation and pregnancy. Lutropin alfa also stimulates the theca cells to produce androgens and the secretion of estradiol by the follicles. Lutropin alfa and follitropin alfa are discontinued once ultrasound assessment and serum estradiol concentrations show sufficient follicular maturation. hCG is then administered to complete follicular maturation and induce ovulation. In females, a LH surge about halfway through the menstrual cycle triggers the onset of ovulation. Lutropin alfa substitutes for endogenous LH and induces rupture of the preovulatory ovarian follicle and oocyte expulsion. Lutropin alfa induces and maintains the corpus luteum, which then secretes progesterone.","Absorption":"Mean absolute bioavailability is 56%, following sub-Q administration, maximum serum concentrations reached after 4–16 hours. Time to peak, serum: 9 hours ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00045","Name":"OspA lipoprotein","DrugType":"biotech","HalfLife":"1.2 hours (mammalian reticulocytes, in vitro).","Description":"Vaccine against Lyme disease that contains lipoprotein OspA, an outer surface protein of Borrelia burgdorferi sensu stricto ZS7, as expressed by Escherichia coli. Lipoprotein OspA is a single polypeptide chain of 257 amino acids with lipids covalently bonded to the N terminus. It is conjugated with alum (aluminum hydroxide) as an adjuvant.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For prophylactic treatment of Lyme Disease","Toxicity":"","MechanismOfAction":"OspA lipoprotein, an outer surface protein of the bacteria Borrelia burgdorferi sensu stricto ZS7, is used to stimulate the production of specific antibodies against B. burgdorferi. It is used as a vaccination against Lyme Disease, a disease carried by ticks.","Pharmacodynamics":"OspA lipoprotein is a single polypeptide chain of 270 amino acids. It is a vaccination used to prevent Lyme Disease.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00046","Name":"Insulin Lispro","DrugType":"biotech","HalfLife":"SubQ administration = 1 hour","Description":"Insulin lispro is a recombinant human insulin analogue produced in a specialized laboratory strain of Escherischia coli. Plasmid DNA transfected into the bacteria encodes for an analogue of human insulin that has a lysine at residuce B28 and proline at B29; these residues are reversed in endogenous human insulin. Reversal of these amino acid residues produces a rapid-acting insulin analogue. FDA approved on 1996. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Type 1 or 2 diabetes mellitus. To be used in conjunction with an intermediate or long-acting insulin except when used in a continuous insulin infusion pump. ","Toxicity":"Inappropriately high dosages relative to food intake and/or energy expenditure may result in severe and sometimes prolonged and life-threatening hypoglycemia. Neurogenic (autonomic) signs and symptoms of hypoglycemia include trembling, palpitations, sweating, anxiety, hunger, nausea and tingling. Neuroglycopenic signs and symptoms of hypoglycemia include difficulty concentrating, lethargy/weakness, confusion, drowsiness, vision changes, difficulty speaking, headache, and dizziness. Mild hypoglycemia is characterized by the presence of autonomic symptoms. Moderate hypoglycemia is characterized by the presence of autonomic and neuroglycopenic symptoms. Individuals may become unconscious in severe cases of hypoglycemia. Rare cases of lipoatrophy or lipohypertrophy reactions have been observed. ","MechanismOfAction":"Insulin lispro binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor autophosphorylates and phosphorylates numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. Activation of these proteins leads to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC), both of which play critical roles in metabolism and catabolism. In humans, insulin is stored in the form of hexamers; however, only insulin monomers are able to interact with IR. Reversal of the proline and lysine residues at positions B28 and B29 of native insulin eliminates hydrophobic interactions and weakens some of the hydrogen bonds that contribute to the stability of the insulin dimers that comprise insulin hexamers. Hexamers of insulin lispro are produced in the presence of zinc and \u003ci\u003em\u003c/i\u003e-cresol. These weakly associated hexamers quickly dissociate upon subcutaneous injection and are absorbed as monomers through vascular endothelial cells. These properties give insulin lispro its fast-acting properties. ","Pharmacodynamics":"Insulin is a natural hormone produced by beta cells of the pancreas. In non-diabetic individuals, a basal level of insulin is supplemented with insulin spikes following meals. Increased insulin secretion following meals is responsible for the metabolic changes that occur as the body transitions from a postabsorptive to absorptive state. Insulin promotes cellular uptake of glucose, particularly in muscle and adipose tissues, promotes energy storage via glycogenesis, opposes catabolism of energy stores, increases DNA replication and protein synthesis by stimulating amino acid uptake by liver, muscle and adipose tissue, and modifies the activity of numerous enzymes involved in glycogen synthesis and glycolysis. Insulin also promotes growth and is required for the actions of growth hormone (e.g. protein synthesis, cell division, DNA synthesis). Insulin lispro is a rapid-acting insulin analogue used to mimic postprandial insulin spikes in diabetic individuals. The onset of action of insulin lispro is 10-15 minutes. Its activity peaks 60 minutes following subcutaneous injection and its duration of action is 4-5 hours. Compared to regular human insulin, insulin lispro has a more rapid onset of action and a shorter duration of action. Insulin lispro is also shown to be equipotent to human insulin on a molar basis. ","Absorption":"Rapidly absorbed following subcutaneous administration. It is also absorbed more quickly than regular human insulin. Peak serum levels occur 30-90 minutes after injection in healthy subjects. Absorption also differs depending on the site of injection. After insulin lispro was administered in the abdomen, serum drug levels were higher and the duration of action was slightly shorter than after deltoid or thigh administration.\r\nBioavailability, 0.1 - 0.2 unit/kg = 55% - 77%. ","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00647"},{"ID":"DB00280"},{"ID":"DB00584"},{"ID":"DB00668"},{"ID":"DB00187"},{"ID":"DB01039"},{"ID":"DB00472"},{"ID":"DB00999"},{"ID":"DB00678"},{"ID":"DB00104"},{"ID":"DB00806"},{"ID":"DB01278"},{"ID":"DB00635"},{"ID":"DB00178"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00047","Name":"Insulin Glargine","DrugType":"biotech","HalfLife":"Not reported in humans; 30 hours \u003ci\u003ein vitro\u003c/i\u003e in mammalian reticulocytes.","Description":"Insulin glargine is produced by recombinant DNA technology using a non-pathogenic laboratory strain of Escherichia coli (K12) as the production organism. It is an analogue of human insulin made by replacing the asparagine residue at position A21 of the A-chain with glycine and adding two arginines to the C-terminus (positions B31 and 32) of the B-chain. The resulting protein is soluble at pH 4 and forms microprecipitates at physiological pH 7.4. Small amounts of insulin glargine are slowly released from microprecipitates giving the drug a long duration of action (up to 24 hours) and no pronounced peak concentration. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Type 1 or 2 diabetes mellitus in patients over 17 years old who require a long-acting (basal) insulin for the control of hyperglycemia. May be used in pediatric patients with Type 1 diabetes mellitus who require a long-acting (basal) insulin for glycemic control. ","Toxicity":"Inappropriately high dosages relative to food intake and/or energy expenditure may result in severe and sometimes prolonged and life-threatening hypoglycemia. Neurogenic (autonomic) signs and symptoms of hypoglycemia include trembling, palpitations, sweating, anxiety, hunger, nausea and tingling. Neuroglycopenic signs and symptoms of hypoglycemia include difficulty concentrating, lethargy/weakness, confusion, drowsiness, vision changes, difficulty speaking, headache, and dizziness. Mild hypoglycemia is characterized by the presence of autonomic symptoms. Moderate hypoglycemia is characterized by the presence of autonomic and neuroglycopenic symptoms. Individuals may become unconscious in severe cases of hypoglycemia. Other adverse events that may occur include allergic reaction, injection site reaction, lipodystrophy, pruritis, and rash.","MechanismOfAction":"Insulin glargine binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor autophosphorylates and phosphorylates numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. Activation of these proteins leads to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC), both of which play critical roles in metabolism. Insulin glargine is completely soluble at pH 4, the pH of administered solution, and has low solubility at physiological pH 7.4. Upon subcuteous injection, the solution is neutralized resulting in the formation of microprecipitates. Small amounts of insulin glargine are released from microprecipitates giving the drug a relatively constant concentration over time profile over 24 hours with no pronounced peak. This release mechanism allows the drug to mimic basal insulin levels within the body. ","Pharmacodynamics":"Insulin is a natural hormone produced by beta cells of the pancreas. In non-diabetic individuals, a basal level of insulin is supplemented with insulin spikes following meals. Increased insulin secretion following meals is responsible for the metabolic changes that occur as the body transitions from a postabsorptive to absorptive state. Insulin promotes cellular uptake of glucose, particularly in muscle and adipose tissues, promotes energy storage via glycogenesis, opposes catabolism of energy stores, increases DNA replication and protein synthesis by stimulating amino acid uptake by liver, muscle and adipose tissue, and modifies the activity of numerous enzymes involved in glycogen synthesis and glycolysis. Insulin also promotes growth and is required for the actions of growth hormone (e.g. protein synthesis, cell division, DNA synthesis). Insulin glargine is a long-acting insulin analogue with a flat and predictable action profile. It is used to mimic the basal levels of insulin in diabetic individuals. The onset of action of insulin glargine is approximately 90 minutes and its duration of action is up to 24 hours. The action profile of insulin glargine is peakless. The significance of this finding is that insulin glargine has a lower chance of nocturnal hypoglycemia. ","Absorption":"Because of the modifications to the A and B chain, the isoelectric point shifts towards a neutral pH and insulin glargine is more stable in acidic conditions than regular insulin. As insulin glargine is less soluble at neutral pH, once injected, forms microprecipitates. Slow release of insulin glargine from microprecipitates provides a relatively constant concentration of insulin over 24 hours. Onset of action is approximately 1.1 hours. ","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00187"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00052"},{"ID":"DB00489"},{"ID":"DB00373"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00048","Name":"Collagenase","DrugType":"biotech","HalfLife":"","Description":"The enzyme collagenase is derived from fermentation of Clostridium histolyticum","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used to promote debridement of necrotic tissue in the treatment of severe burns and dermal ulcers including decubitus ulcers.","Toxicity":"","MechanismOfAction":"Collagenase is a protease that is specific to collagen. The triple helical region of interstitial collagens is highly resistant to most cell proteinases. However, during remodeling of the connective tissue in such processes as wound healing and metastasis, collagen becomes susceptible to cleavage by collagenases. Collagenase cleaves all 3 alpha helical chains of native Types I, II and III collagens at a single locus by hydrolyzing the peptide bond following the Gly residue of the sequence: Gly 775-(Ile or Leu) 776-(Ala or Leu) 777 located approximately three-fourths of the chain length from each N-terminus","Pharmacodynamics":"Used in the treatment of skin ulcers and sever burns, collagenase is able to digest collagen in necrotic tissue at physiological pH by hydrolyzing the peptide bonds of undenatured and denatured collagen. Collagenase thus contributes towards the formation of granulation tissue and subsequent epithelization of dermal ulcers and severely burned areas. The action of collagenase may remove substrates necessary for bacterial proliferation or may permit antibodies, leukocytes, and antibiotics better access to the infected area.","Absorption":"","Interactions":[{"ID":"DB00063"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00049","Name":"Rasburicase","DrugType":"biotech","HalfLife":"18 hours","Description":"Rasburicase is a recombinant urate-oxidase enzyme produced by a genetically modified \u003ci\u003eSaccharomyces cerevisiae\u003c/i\u003e strain. The cDNA coding for rasburicase was cloned from a strain of \u003ci\u003eAspergillus flavus\u003c/i\u003e.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of hyperuricemia, reduces elevated plasma uric acid levels (from chemotherapy)","Toxicity":"","MechanismOfAction":"Rasburicase catalyzes enzymatic oxidation of uric acid into an inactive and soluble metabolite (allantoin).","Pharmacodynamics":"Drugs used to treat lympohoid leukemia, non-Hodgkin's lymphoma and acute myelogenous leukemia often lead to the accumulation of toxic plasma levels of purine metabolites (i.e. uric acid). The injection of rasburicase reduces levels of uric acid and mitigates the toxic effects of chemotherapy induced tumor lysis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00050","Name":"Cetrorelix","DrugType":"small molecule","HalfLife":"~62.8 hours","Description":"Cetrorelix is a man-made hormone that blocks the effects of Gonadotropin Releasing Hormone (GnRH). GnRH controls another hormone that is called luteinizing hormone (LH), which is the hormone that starts ovulation during the menstrual cycle. When undergoing hormone treatment sometimes premature ovulation can occur, leading to eggs that are not ready for fertilization to be released. Cetrorelix does not allow the premature release of these eggs to occur.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the inhibition of premature LH surges in women undergoing controlled ovarian stimulation","Toxicity":"","MechanismOfAction":"Cetrorelix binds to the gonadotropin releasing hormone receptor and acts as a potent inhibitor of gonadotropin secretion. It competes with natural GnRH for binding to membrane receptors on pituitary cells and thus controls the release of LH and FSH in a dose-dependent manner.","Pharmacodynamics":"Cetrorelix is a synthetic decapeptide with gonadotropin-releasing hormone (GnRH) antagonistic activity. GnRH induces the production and release of luteinizing hormone (LH) and follicle stimulating hormone (FSH) from the gonadotrophic cells of the anterior pituitary. Due to a positive estradiol (E2) feedback at midcycle, GnRH liberation is enhanced resulting in an LH-surge. This LH-surge induces the ovulation of the dominant follicle, resumption of oocyte meiosis and subsequently luteinization as indicated by rising progesterone levels. Cetrorelix competes with natural GnRH for binding to membrane receptors on pituitary cells and thus controls the release of LH and FSH in a dose-dependent manner.","Absorption":"Rapidly absorbed following subcutaneous injection. The mean absolute bioavailability following subcutaneous administration to healthy female subjects is 85%.","Interactions":null,"Salts":[{"ID":"DBSALT000021","Name":"Cetrorelix Acetate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00051","Name":"Adalimumab","DrugType":"biotech","HalfLife":"10-20 days.","Description":"Adalimumab is a human monoclonal antibody against TNF-alpha. It is produced by recombinant DNA technology using a mammalian cell expression system. It consists of 1330 amino acids and has a molecular weight of approximately 148 kilodaltons.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of rheumatoid arthritis, psoriatic arthritis, ankylosing spondylitis, and Crohn's disease.","Toxicity":"","MechanismOfAction":"Adalimumab binds to TNF-alpha and blocks its interaction with the p55 and p75 cell surface TNF receptors. Adalimumab also lyses surface TNF expressing cells in vitro in the presence of complement.","Pharmacodynamics":"Used in the treatment of immune system mediated diseases, adalimumab binds specifically to TNF-alpha and blocks its general cytokine effects, thereby reducing TNF-induced inflammation and halting tissue destruction.","Absorption":"","Interactions":[{"ID":"DB06168"},{"ID":"DB00065"},{"ID":"DB06372"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00052","Name":"Somatropin recombinant","DrugType":"biotech","HalfLife":"","Description":"Recombinant human growth hormone (somatotropin) 191 residues, MW 22.1 kD, synthesized in E. coli","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of dwarfism, acromegaly and prevention of HIV-induced weight loss","Toxicity":"","MechanismOfAction":"hGH binds to the human growth hormone receptor (GHR). Upon binding, hGH causes dimerization of GHR, activation of the GHR-associated JAK2 tyrosine kinase, and tyrosyl phosphorylation of both JAK2 and GHR. These events recruit and/or activate a variety of signaling molecules, including MAP kinases, insulin receptor substrates, phosphatidylinositol 3' phosphate kinase, diacylglycerol, protein kinase C, intracellular calcium, and Stat transcription factors. These signaling molecules contribute to the GH-induced changes in enzymatic activity, transport function, and gene expression that ultimately culminate in changes in growth and metabolism.","Pharmacodynamics":"Used in the treatment of dwarfism and growth failure, growth hormone (hGH) stimulates skeletal growth in pediatric patients with growth failure due to a lack of adequate secretion of endogenous GH. Skeletal growth is accomplished at the epiphyseal plates at the ends of a growing bone. Growth and metabolism of epiphyseal plate cells are directly stimulated by GH and one of its mediators, IGF-I (insulin-like growth factor).","Absorption":"","Interactions":[{"ID":"DB00284"},{"ID":"DB00672"},{"ID":"DB01276"},{"ID":"DB01120"},{"ID":"DB00222"},{"ID":"DB01067"},{"ID":"DB01016"},{"ID":"DB01306"},{"ID":"DB01307"},{"ID":"DB00047"},{"ID":"DB01309"},{"ID":"DB06655"},{"ID":"DB00331"},{"ID":"DB00491"},{"ID":"DB00731"},{"ID":"DB01132"},{"ID":"DB00412"},{"ID":"DB06335"},{"ID":"DB01261"},{"ID":"DB00839"},{"ID":"DB01124"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00053","Name":"Imiglucerase","DrugType":"biotech","HalfLife":"3.6-10.4 min","Description":"Human Beta-glucocerebrosidase or Beta-D-glucosyl-N-acylsphingosine glucohydrolase E.C. 3.2.1.45. 497 residue protein with N-linked carbohydrates, MW=59.3 kD. Alglucerase is prepared by modification of the oligosaccharide chains of human Beta-glucocerebrosidase. The modification alters the sugar residues at the non-reducing ends of the oligosaccharide chains of the glycoprotein so that they are predominantly terminated with mannose residues","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Gaucher's disease (deficiency in glucocerebrosidase)","Toxicity":"","MechanismOfAction":"Imiglucerase catalyzes the hydrolysis of the glycolipid, glucocerebroside, to glucose and ceramide as part of the normal degradation pathway for membrane lipids.","Pharmacodynamics":"Gaucher disease is characterized by a functional deficiency in Beta-glucocerebrosidase enzymatic activity and the resultant accumulation of lipid glucocerebroside in tissue macrophages which become engorged and are termed Gaucher cells. Gaucher cells are typically found in liver, spleen and bone marrow. This can lead to an enlarged spleen and liver (hepatosplenomegaly). Secondary hematologic sequelae include severe anemia and thrombocytopenia. Injections of imiglucerase into Gaucher disease patients leads to elevated serum levels of the enzyme and reduction in the accumulation of glucocerebroside leading to reduced anemia and thrombocytopenia, reduced spleen and liver size, and decreased cachexia","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00054","Name":"Abciximab","DrugType":"biotech","HalfLife":"Following intravenous bolus administration, free plasma concentrations of Abciximab decrease rapidly with an initial half-life of less than 10 minutes and a second phase half-life of about 30 minutes, probably related to rapid binding to the platelet GPIIb/IIIa receptors.","Description":"Abciximab is a Fab fragment of the chimeric human-murine monoclonal antibody 7E3. Abciximab binds to the glycoprotein (GP) IIb/IIIa receptor of human platelets and inhibits platelet aggregation by preventing the binding of fibrinogen, von Willebrand factor, and other adhesive molecules. It also binds to vitronectin (αvβ3) receptor found on platelets and vessel wall endothelial and smooth muscle cells.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Abciximab is indicated as an adjunct to percutaneous coronary intervention for the prevention of cardiac ischemic complications in patients undergoing percutaneous coronary intervention and \r\nin patients with unstable angina not responding to conventional medical therapy when percutaneous coronary intervention is planned within 24 hours. Abciximab is intended for use with aspirin and heparin and has been studied only in that setting.","Toxicity":"","MechanismOfAction":"Abciximab binds to the intact platelet GPIIb/IIIa receptor, which is a member of the integrin family of adhesion receptors and the major platelet surface receptor involved in platelet aggregation. This binding is thought to involve steric hindrance and/or conformational alterations which block access of large molecules to the receptor rather than direct interaction with the RGD (arginine-glycine-aspartic acid) binding site of GPIIb/IIIa. By binding to the vitronectin receptor (also known as the αvβ3 integrin), abciximab blocks effects mediated by this integrin which include cell adhesion. Furthermore, abciximab blocks Mac-1 receptor on monocytes and neutrophils thus inhibiting monocyte adhesion. ","Pharmacodynamics":"Abciximab inhibits platelet aggregation by preventing the binding of fibrinogen, von Willebrand factor, and other adhesive molecules to GPIIb/IIIa receptor sites on activated platelets. A single intravenous bolus dose from 0.15 mg/kg to 0.30 mg/kg produced rapid dose-dependent inhibition of platelet function. After two hours post-injection with a dose of 0.25 - 0.30 mg/kg, 80% of the GPIIb/IIIa receptors were blocked and platelet aggregation was prevented. GPIIb/IIIa is the major surface receptor involved in the final pathway of platelet aggregation. Bleeding time increases to over 30 minutes at the aforementioned doses. To compare, baseline values were five minutes. ","Absorption":"","Interactions":[{"ID":"DB01381"},{"ID":"DB00775"},{"ID":"DB00072"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00265","Drugs":["DB00054"]}]},{"ID":"DB00055","Name":"Drotrecogin alfa","DrugType":"biotech","HalfLife":"5.5 hours (mammalian reticulocytes, in vitro).","Description":"Drotrecogin alfa is activated human protein C that is synthesized by recombinant DNA technology. It is a glycoprotein of approximately 55 kilodalton molecular weight, consisting of a heavy chain and a light chain linked by a disulfide bond. Drotrecogin alfa was withdrawn from the market after a major study indicated that it was not effective in improving outcomes in patients with sepsis. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For reduction of mortality in patients with severe sepsis.","Toxicity":"","MechanismOfAction":"Activated protein C combines with protein S on platelet surfaces and then degrades factor Va and factor VIIIa, thereby reducing blood coagulability.","Pharmacodynamics":"Drotrecogin alfa is activated human protein C that is synthesized by recombinant DNA technology. It is a glycoprotein of approximately 55 kilodalton molecular weight, consisting of a heavy chain and a light chain linked by a disulfide bond.\r\nDrotrecogin alfa inhibits factor Va and VIIIa, thereby reducing the coagulability of blood.","Absorption":"","Interactions":[{"ID":"DB00758"},{"ID":"DB06779"},{"ID":"DB01225"},{"ID":"DB00569"},{"ID":"DB01109"},{"ID":"DB01009"},{"ID":"DB08813"},{"ID":"DB00031"},{"ID":"DB06822"},{"ID":"DB00500"},{"ID":"DB00374"},{"ID":"DB00013"},{"ID":"DB06684"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB00056","Name":"Gemtuzumab ozogamicin","DrugType":"biotech","HalfLife":"","Description":"Recombinant humanized IgG4, kappa antibody conjugated with a cytotoxic antitumor antibiotic, calicheamicin, isolated from fermentation of a bacterium, Micromonospora echinospora ssp. calichensis. The antibody portion of Mylotarg binds specifically to the CD33 antigen, The anti-CD33 hP67.6 antibody is produced by mammalian cell suspension culture using a myeloma NS0 cell line. Gemtuzumab ozogamicin (trade name Mylotarg) was withdrawn in 2010 when a clinical trial showed the drug increased patient death and exhibited no advantages over traditional cancer therapies. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of CD33-positive acute myeloid leukemia in patients 60 and over who are not candidates for other chemotherapy.","Toxicity":"The most frequently reported toxicities are myelosuppression and hepatic veno-occlusive disorder.","MechanismOfAction":"Mylotarg is directed against the CD33 antigen expressed by hematopoietic cells. Binding of the anti-CD33 antibody portion of Mylotarg with the CD33 antigen results in the formation of a complex that is internalized. Upon internalization, the calicheamicin derivative is released inside the lysosomes of the myeloid cell. The released calicheamicin derivative binds to DNA in the minor groove resulting in DNA double strand breaks and cell death.","Pharmacodynamics":"Used for the treatment of acute myeloid leukemia (AML), mylotarg binds to the CD33 antigen, which is expressed on the surface of leukemic cells in more than 80% of patients with AML. The CD33 antigen is not expressed on pluripotent hematopoietic stem cells or nonhematopoietic cells. This gives mylotarg the selectivity needed to target leukemic cells.","Absorption":"","Interactions":[{"ID":"DB08879"},{"ID":"DB00363"},{"ID":"DB06643"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB00057","Name":"Satumomab Pendetide","DrugType":"biotech","HalfLife":"0.8 hours (mammalian reticulocytes, in vitro)","Description":"Tumor associated glycoprotein (TAG) 72 (B72.3) monoclonal antibody conjugated with Indium 111 for radioimaging colon tumors. Satumomab Pendetide (trade name: OncoScint®) is no longer commercially available. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For diagnosis of extrahepatic malignant cancers","Toxicity":"","MechanismOfAction":"Satumomab Pendetide is a monoclonal antibody which is attached to the chelator pentetic acid (DTPA) linked to the tripeptide glycine (G) – L-tyrosine (Y) – L-lysine (K), which chelates Indium 111. Satumomab pendetide binds selectively to cell-surface TAG-72 expressed on colorectal tumors. ","Pharmacodynamics":"Binds to the tumor associated glycoprotein 72 antigen, which is a cell surface protein generally over-expressed in colorectal cancers. The radioactive Indium 111, which is covalently attached to the antibody, allows radiodiagnostic detection of TAG-72 expressing cells and tumors.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00058","Name":"Alpha-1-proteinase inhibitor","DrugType":"biotech","HalfLife":"","Description":"Human alpha-1 proteinase inhibitor or alpha-1-antitrypsin, prepared from human plasma via Cohn alcohol fractionation followed by PEG and zinc chloride fractionation.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of panacinar emphysema","Toxicity":"","MechanismOfAction":"Alpha-1 proteinase inhibitor is a serine protease inhibitor (Serpin). Its primary mechanism is inhibiting the action of the serine protease called elastase (also plasmin and thrombin) in the lungs. The reactive center loop (RCL) of alpha-1 proteinase inhibitor extends out from the body of the protein and directs binding to the target protease. The protease cleaves the serpin at the reactive site, establishing a covalent linkage between the carboxyl group of the serpin reactive site and the serine hydroxyl of the protease. The resulting inactive serpin-protease complex is highly stable.","Pharmacodynamics":"Prevents excessive accumulation of active neutrophil elastase and consequent proteolysis of elastin tissues in alveolar lung structures. This prevents the development of emphysema.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00059","Name":"Pegaspargase","DrugType":"biotech","HalfLife":"IM: ~6 days; half-life decreased to ~3 days (range: 1.4 to 5 days) in patients with previous hypersensitivity to native L-asparaginase; IV: Adults (asparaginase naive): 7 days","Description":"Pegylated L-asparagine amidohydrolase from E. coli. Pegylation substantially (by a factor of 4) extends the protein half life.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of acute lymphoblastic leukemia","Toxicity":"Adverse effects that occur more than 10% of the time include hepatotoxicity as it is known to increase serum transaminases (ALT, AST). Also known to induce hypersensitivity reactions including anaphylaxis, erythema and bronchospasm. ","MechanismOfAction":"Pegaspargase, more effective than asparaginase, converts asparagine to aspartic acid and ammonia. It facilitates production of oxaloacetate which is needed for general cellular metabolism. Some malignant cells lose the ability to produce asparagine and so the loss of exogenous sources of asparagine leads to cell death.","Pharmacodynamics":"In a significant number of patients with acute leukemia, the malignant cells are dependent on an exogenous source of asparagine for survival. Normal cells, however, are able to synthesize asparagine and thus are affected less by the rapid depletion produced by treatment with the enzyme asparaginase. Oncaspar exploits a metabolic defect in asparagine synthesis of some malignant cells.","Absorption":"Onset of Asparagine depletion by IM is within 4 days \r\nTime to peak: IM: 3 to 4 days","Interactions":[{"ID":"DB06643"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00060","Name":"Interferon beta-1a","DrugType":"biotech","HalfLife":"10 hrs","Description":"Human interferon beta (166 residues), glycosylated, MW=22.5kD. It is produced by mammalian cells (Chinese Hamster Ovary cells) into which the human interferon beta gene has been introduced. The amino acid sequence of Avonex is identical to that of natural human interferon beta.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of relapsing/remitting multiple sclerosis, also for condyloma acuminatum","Toxicity":"","MechanismOfAction":"Interferon beta binds to type I interferon receptors (IFNAR1 and IFNAR2c) which, upon dimerization, activate two Jak (Janus kinase) tyrosine kinases (Jak1 and Tyk2). These transphosphorylate themselves and phosphorylate the receptors. The phosphorylated INFAR receptors then bind to Stat1 and Stat2 (signal transducers and activators of transcription) which dimerize and activate multiple (~100) immunomodulatory and antiviral proteins. Interferon beta binds more stably to type I interferon receptors than interferon alpha.","Pharmacodynamics":"Interferon beta upregulates the expression of MHC I proteins, allowing for increased presentation of peptides derived from viral antigens. This enhances the activation of CD8+ T cells that are the precursors for cytotoxic T lymphocytes (CTLs) and makes the macrophage a better target for CTL-mediated killing. Type I interferons also induce the synthesis of several key antiviral mediators including 2'-5' oligoadenylate synthetase (2'-5' A synthetase), beta-2 microglobulin and neopterin.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00061","Name":"Pegademase bovine","DrugType":"biotech","HalfLife":"plasma adenosine deaminase elimination half-life is 3 to \u003e6 days","Description":"Bovine adenosine deaminase derived from bovine intestine that has been extensively pegylated for extended serum half life.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of adenosine deaminase deficiency","Toxicity":"","MechanismOfAction":"Pegademase converts adenosine (toxic) to inosine (less toxic) by deamination. It also converts 2'-deoxyadenosine to 2'-deoxyinosine via deamination.","Pharmacodynamics":"Used to replace deficient or inactive adenosine deaminase which leads to severe combined immunodeficiency disease (SCID). The enzyme is responsible for converting adenosine to inosine. In the absence of adenosine deaminase, the purine substrates adenosine, 2'-deoxyadenosine and their metabolites are actually toxic to lymphocytes thereby leading to diminished immune function.","Absorption":"Time to peak for plasma adenosine deaminase is 2 to 3 days ","Interactions":[{"ID":"DB00552"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00062","Name":"Human Serum Albumin","DrugType":"biotech","HalfLife":"","Description":"Human serum albumin isolated from expired blood plasma","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of severe blood loss, hypervolemia, hypoproteinemia","Toxicity":"","MechanismOfAction":"Acts as a high molecular weight, very soluble osmolyte","Pharmacodynamics":"Regulates the colloidal osmotic pressure of blood. It is used to increase the circulating plasma volume, thereby reducing hemoconcentrtion and blood viscosity. Also used as a transport protein that binds naturally occurring, therapeutic and toxic materials in circulation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00063","Name":"Eptifibatide","DrugType":"biotech","HalfLife":"Approximately 2.5 hours","Description":"Synthetic cyclic hexapeptide that binds to platelet receptor glycoprotein and inhibits platelet aggregation.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of myocardial infarction and acute coronary syndrome.","Toxicity":"Eptifibatide was not lethal to rats, rabbits, or monkeys when administered by continuous intravenous infusion for 90 minutes at a total dose of 45 mg/kg (about 2 to 5 times the recommended maximum daily human dose on a body surface area basis)","MechanismOfAction":"Eptifibatide inhibits platelet aggregation by reversibly binding to the platelet receptor glycoprotein (GP) IIb/IIIa of human platelets, thus preventing the binding of fibrinogen, von Willebrand factor, and other adhesive ligands. Inhibition of platelet aggregation occurs in a dose- and concentration-dependent manner.","Pharmacodynamics":"Eptifibatide is an anti-coagulant that selectively blocks the platelet glycoprotein IIb/IIIa receptor. Eptifibatide is a cyclic heptapeptide derived from a protein found in the venom of the southeastern pygmy rattlesnake (Sistrurus miliarus barbouri). It belongs to the class of the so called arginin-glycin-aspartat-mimetics and reversibly binds to platelets.","Absorption":"","Interactions":[{"ID":"DB06605"},{"ID":"DB00048"},{"ID":"DB06695"},{"ID":"DB01254"},{"ID":"DB01381"},{"ID":"DB01296"},{"ID":"DB00078"},{"ID":"DB08935"},{"ID":"DB00686"},{"ID":"DB00806"},{"ID":"DB06228"},{"ID":"DB00932"},{"ID":"DB00775"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00266","Drugs":["DB00063"]}]},{"ID":"DB00064","Name":"Serum albumin iodonated","DrugType":"biotech","HalfLife":"","Description":"A diagnostic radiopharmaceutical containing iodinated I 131 albumin for intravenous imaging. Following intravenous injection, radioiodinated albumin human is uniformly distributed throughout the intravascular pool within 10 minutes; extravascular distribution takes place more slowly (2 days). Indicated for use in determinations of total blood and plasma volumes, cardiac output, cardiac and pulmonary blood volumes and circulation times","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For determination of total blood and plasma volumes","Toxicity":"","MechanismOfAction":"Serum albumin acts as a high molecular weight, very soluble osmolyte","Pharmacodynamics":"Regulates the colloidal osmotic pressure of blood. It is used to increase the circulating plasma volume, thereby reducing hemoconcentrtion and blood viscosity. Also used as a transport protein that binds naturally occurring, therapeutic and toxic materials in circulation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00065","Name":"Infliximab","DrugType":"biotech","HalfLife":"9.5 days (7-12 days) in patients with Crohn's disease, plaque psoriasis and rheumatoid arthritis","Description":"Tumor necrosis factor (TNF-alpha) binding antibody (chimeric IgG1). It is composed of human constant and murine variable regions. Infliximab is produced by a recombinant cell line cultured by continuous perfusion","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"To manage the signs and symptoms, as well as to induce and maintain clinical remission in adults with moderate to severe active Crohn's disease or ulcerative colitis. Also used to manage signs and symptoms of rheumatoid arthritis (in conjunction with methotrexate), ankylosing spondylitis, psoriatic arthritis, and juvenile arthritis.","Toxicity":"","MechanismOfAction":"Infliximab neutralizes the biological activity of TNFa by binding with high affinity to the soluble and transmembrane forms of TNFa and inhibits binding of TNFa with its receptors. Infliximab does not neutralize TNFb (lymphotoxin a), a related cytokine that utilizes the same receptors as TNFa. TNFa activation normally induces the release of proinflammatory cytokines, the enhancement of leukocyte migration and activation of neutrophils among others. Neutralization of the biological activity of TNFa leads to an overall reduction in inflammation.","Pharmacodynamics":"Infliximab is a chimeric human-murine anti-human tumor necrosis factor (TNF) monoclonal antibody. It binds to tumor necrosis factor alpha (TNFa) and inhibits binding of TNFa with its receptors. This reduces production of pro-inflammatory cytokines such as interleukins (IL) 1 and 6. This also limits leukocyte migration and expression of adhesion molecules by endothelial cells and leukocytes. Infliximab also limits the activation of neutrophil and eosinophil functional activity, reduces production of tissue degrading enzymes produced by synoviocytes and/or chondrocytes. Infliximab decreases synovitis and joint erosions in collagen-induced arthritis and allows eroded joints to heal.","Absorption":"Onset of action occurs in about 2 weeks in Crohn's disease. ","Interactions":[{"ID":"DB01281"},{"ID":"DB00051"},{"ID":"DB00026"},{"ID":"DB06168"},{"ID":"DB08904"},{"ID":"DB06643"},{"ID":"DB00005"},{"ID":"DB06674"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB06372"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB06273"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00066","Name":"Follitropin beta","DrugType":"biotech","HalfLife":"Circulation half life of 3-4 hours, elimination half life of 35-40 hours","Description":"Follitropin beta is a human follicle stimulating hormone (FSH) preparation of recombinant DNA origin, which consists of two non-covalently linked, non-identical glycoproteins designated as the alpha- and beta- subunits. The alpha- and beta- subunits have 92 and 111 amino acids. The alpha subunit is glycosylated at Asn 51 and Asn 78 while the beta subunit is glycosylated at Asn 7 and Asn 24. Follitropin beta is produced in genetically engineered Chinese hamster cell lines (CHO). The nomenclature “beta” differentiates it from another recombinant human FSH product that was marketed earlier as follitropin alpha. Follitropin is important in the development of follicles produced by the ovaries. Given by subcutaneous injection, it is used in combination with human chorionic gonadotropin (hCG) to assist in ovulation and fertility. Follitropin may also be used to cause the ovary to produce several follicles, which can then be harvested for use in gamete intrafallopian transfer (GIFT) or in vitro fertilization (IVF). Numerous physio-chemical tests and bioassays indicate that follitropin beta and follitropin alpha are indistinguishable. However, a more recent study showed there is may be a slight clinical difference, with the alpha form tending towards a higher pregnancy rate and the beta form tending towards a lower pregnancy rate, but with significantly higher estradiol (E2) levels. Structural analysis shows that the amino acid sequence of follitropin beta is identical to that of natural human follicle stimulating hormone (FSH). Further, the ogliosaccharide side chains are very similar, but not completely identical to that of natural FSH. However, these small differences do not affect the bioactivity compared to natural FSH.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of female infertility","Toxicity":"","MechanismOfAction":"Follitropin alpha is a recombinant form of endogenous follicle stimulating hormone (FSH). FSH binds to the follicle stimulating hormone receptor which is a G-coupled transmembrane receptor. Binding of the FSH to its receptor seems to induce phosphorylation and activation of the PI3K (Phosphatidylinositol-3-kinase) and Akt signaling pathway, which is known to regulate many other metabolic and related survival/maturation functions in cells.","Pharmacodynamics":"Used for the treatment of female infertility, Follitropin beta or follicle stimulating hormone (FSH) stimulates ovarian follicular growth in women who do not have primary ovarian failure. FSH, the active component of Follitropin beta is the primary hormone responsible for follicular recruitment and development.","Absorption":"74%","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00067","Name":"Vasopressin","DrugType":"biotech","HalfLife":"10-20 minutes","Description":"Antidiuretic hormone, also known as vasopressin, is a nine amino acid peptide secreted from the posterior pituitary. Antidiuretic hormone binds to receptors in the distal or collecting tubules of the kidney and promotes reabsorbtion of water back into the circulation","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of enuresis, polyuria, diabetes insipidus, polydipsia and oesophageal varices with bleeding","Toxicity":"","MechanismOfAction":"Vasopressin acts on three different receptors, vasopressin receptor V1a (which initiates vasoconstriction, liver gluconeogenesis, platelet aggregation and release of factor VIII), vasopressin receptor V1b (which mediates corticotrophin secretion from the pituitary) and vasopressin receptor V2 which controls free water reabsorption in the renal medullar. The binding of vasopressin to the V2 receptor activates adenylate cyclase which causes the release of aquaporin 2 channels into the cells lining the renal medullar duct. This allows water to be reabsorbed down an osmotic gradient so the urine is more concentrated.","Pharmacodynamics":"Vasopressin is an antidiuretic hormone indicated for the prevention and treatment of postoperative abdominal distention, in abdominal roentgenography to dispel interfering gas shadows, and in diabetes insipidus. Vasopressin can cause contraction of smooth muscle of the gastrointestinal tract and of all parts of the vascular bed, especially the capillaries, small arterioles and venules. It has less effect on the smooth musculature of the large veins. Vasopressin may also be used to control bleeding in some forms of von Willebrand disease and to treat extreme cases of bed wetting in children. It may also play a role in memory formation although the mechanism is unknown.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00068","Name":"Interferon beta-1b","DrugType":"biotech","HalfLife":"","Description":"Human interferon beta (165 residues), cysteine 17 is substituted with serine. Produced in E. coli, no carbohydrates, MW=18.5kD","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Interferon beta-1b is a drug used for the treatment of relapsing/remitting multiple sclerosis. It has been shown to slow the advance of the disease as well as to decrease the frequency of attacks.","Toxicity":"","MechanismOfAction":"Interferon beta binds to type I interferon receptors (IFNAR1 and IFNAR2c) which activate two Jak (Janus kinase) tyrosine kinases (Jak1 and Tyk2). These transphosphorylate themselves and phosphorylate the receptors. The phosphorylated INFAR receptors then bind to Stat1 and Stat2 (signal transducers and activators of transcription)which dimerize and activate multiple (~100) immunomodulatory and antiviral proteins. Interferon beta binds more stably to type I interferon receptors than interferon alpha.","Pharmacodynamics":"Interferon beta upregulates the expression of MHC I proteins, allowing for increased presentation of peptides derived from viral antigens. This enhances the activation of CD8+ T cells that are the precursors for cytotoxic T lymphocytes (CTLs) and makes the macrophage a better target for CTL-mediated killing. Type I interferons also induce the synthesis of several key antiviral mediators including 2'-5' oligoadenylate synthetase (2'-5' A synthetase), beta-2 microglobulin, neopterin and protein kinase R.","Absorption":"","Interactions":[{"ID":"DB00495"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00069","Name":"Interferon alfacon-1","DrugType":"biotech","HalfLife":"The terminal half-life following subcutaneous dosing was 1.3 hours in golden Syrian hamsters and 3.4 hours in rhesus monkeys.\r\n\r\n","Description":"Interferon alfacon-1 is a recombinant non-naturally occurring type-I interferon. The 166-amino acid sequence of Interferon alfacon-1 was derived by scanning the sequences of several natural interferon alpha subtypes and assigning the most frequently observed amino acid in each corresponding position. Four additional amino acid changes were made to facilitate the molecular construction, and a corresponding synthetic DNA sequence was constructed using chemical synthesis methodology. Interferon alfacon-1 differs from interferon alfa-2b at 20/166 amino acids (88% homology), and comparison with interferon-beta shows identity at over 30% of the amino acid positions. Interferon alfacon-1 is produced in Escherichia coli (E. coli) cells that have been genetically altered by insertion of a synthetically constructed sequence that codes for Interferon alfacon-1. Prior to final purification, Interferon alfacon-1 is allowed to oxidize to its native state, and its final purity is achieved by sequential passage over a series of chromatography columns. This protein has a molecular weight of 19,434 daltons.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of hairy cell leukemia, malignant melanoma, and AIDS-related Kaposi's sarcoma","Toxicity":"Reproductive toxicity studies in pregnant rhesus monkeys and golden Syrian hamsters demonstrated an increase in fetal loss in hamsters treated with Interferon alfacon-1 at doses of \u003e 150 mcg/kg/day, and in rhesus monkeys at doses of 3 and 10 mcg/kg/day. The Interferon alfacon-1 toxicity profile described is consistent with the known toxicity profile of other alpha interferons.\r\n","MechanismOfAction":"Interferon alpha binds to type I interferon receptors (IFNAR1 and IFNAR2c) which, upon dimerization, activate two Jak (Janus kinase) tyrosine kinases (Jak1 and Tyk2). These transphosphorylate themselves and phosphorylate the receptors. The phosphorylated INFAR receptors then bind to Stat1 and Stat2 (signal transducers and activators of transcription) which dimerize and activate multiple (~100) immunomodulatory and antiviral proteins. Interferon alpha binds less stably to type I interferon receptors than interferon beta. The resulting actions include gene transcription, inhibition of cellular growth, alteration of the state of cellular differentiation, interference with oncogene expression, alteration of cell surface antigen expression, increasing phagocytic activity of macrophages, and augmentation of the cytotoxicity of lymphocytes for target cells.","Pharmacodynamics":"Upregulates the expression of MHC I proteins, allowing for increased presentation of peptides derived from viral antigens. This enhances the activation of CD8+ T cells that are the precursors for cytotoxic T lymphocytes (CTLs) and makes the macrophage a better target for CTL-mediated killing. Interferon alpha also induce the synthesis of several key antiviral mediators, including 2'-5' oligoadenylate synthetase (2'-5' A synthetase) and protein kinase R.","Absorption":"Subcutaneous bioavailability averages 99% in golden Syrian hamsters and 83% to 104% in rhesus monkeys.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00070","Name":"Hyaluronidase","DrugType":"biotech","HalfLife":"","Description":"Highly purified sheep hyaluronidase for administration by injection into the vitreous of the eye.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For increase of absorption and distribution of other injected drugs and for rehydration.","Toxicity":"","MechanismOfAction":"Hyaluronidase is a spreading or diffusing substance. It increase the permeability of connective tissue through the hydrolysis of hyaluronic acid. Hyaluronidase hydrolyzes hyaluronic acid by splitting the glucosaminidic bond between C1 of the glucosamine moiety and C4 of glucuronic acid. This temporarily decreases the viscosity of the cellular cement and increases diffusion of injected fluids or of localized transudates or exudates, thus facilitating their absorption.","Pharmacodynamics":"Hyaluronidase hydrolyzes hyaluronic acid and increase diffusion of injected drugs, thus facilitating their absorption. Hyaluronidase is used for enhancing absorption and distribution of other injected drugs.","Absorption":"","Interactions":[{"ID":"DB00988"},{"ID":"DB00388"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00071","Name":"Insulin, porcine","DrugType":"biotech","HalfLife":"","Description":"Insulin isolated from pig pancreas. Composed of alpha and beta chains, processed from pro-insulin. Forms a hexameric structure.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of type I and II diabetes mellitus.","Toxicity":"","MechanismOfAction":"Insulin binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor is able to autophosphorylate and phosphorylate numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. These activated proteins, in turn, lead to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC) which play a critical role in metabolism.","Pharmacodynamics":"Insulin is used in the treatment of type I and type II diabetes. The primary activity of insulin is the regulation of glucose metabolism. In muscle and other tissues (except the brain), insulin causes rapid transport of glucose and amino acids intracellularly. It also promotes anabolism, and inhibits protein catabolism. In the liver, insulin promotes the uptake and storage of glucose in the form of glycogen, inhibits gluconeogenesis, and promotes the conversion of excess glucose into fat.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00072","Name":"Trastuzumab","DrugType":"biotech","HalfLife":"average 28.5 days. Pharmacokinetics are nonlinear; increased doses are associated with increased mean half-life and decreased clearance.","Description":"A recombinant IgG1 kappa, humanized monoclonal antibody that selectively binds with high affinity in a cell-based assay (Kd = 5 nM) to the extracellular domain of the human epidermal growth factor receptor protein. Produced in CHO cell culture.*","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of early stage HER2-positive breast cancer, or metastatic breast cancer that substantially overexpress HER2.","Toxicity":"Administration of trastuzumab can result in ventricular dysfunction and congestive heart failure. Risk of cardiotocity is especially elevated in patients recieving concurrent anthracycline or cyclophosphamide therapy.","MechanismOfAction":"Trastuzumab binds to the HER2 (or c-erbB2) proto-oncogene, an EGF receptor-like protein found on 20-30% of breast cancer cells. The binding leads to antibody mediated (complement mediated) killing of the HER2 positive cells.","Pharmacodynamics":"Used in the treatment of HER2-positive breast cancer. HER2 protein overexpression is observed in 25%-30% of primary breast cancers.Trastuzumab has been shown, in both in vitro assays and in animals, to inhibit the proliferation of human tumorcells that overexpress HER2. It is a mediator of antibody dependent cellular cytotoxicity, in that the binding of the antibody to HER2 overexpressing cells leads to preferential cell death.","Absorption":"Peak and trough plasma concentrations at steady state (between weeks 16 and 32) approximately 123 and 79 mcg/mL, respectively.","Interactions":[{"ID":"DB01281"},{"ID":"DB00054"},{"ID":"DB00051"},{"ID":"DB00087"},{"ID":"DB00488"},{"ID":"DB00276"},{"ID":"DB00026"},{"ID":"DB00098"},{"ID":"DB00023"},{"ID":"DB00928"},{"ID":"DB00993"},{"ID":"DB00074"},{"ID":"DB06681"},{"ID":"DB00443"},{"ID":"DB00290"},{"ID":"DB01008"},{"ID":"DB01101"},{"ID":"DB00958"},{"ID":"DB00262"},{"ID":"DB00291"},{"ID":"DB00515"},{"ID":"DB00242"},{"ID":"DB00631"},{"ID":"DB01285"},{"ID":"DB01380"},{"ID":"DB00531"},{"ID":"DB00091"},{"ID":"DB00987"},{"ID":"DB00851"},{"ID":"DB00111"},{"ID":"DB00970"},{"ID":"DB00694"},{"ID":"DB00004"},{"ID":"DB01234"},{"ID":"DB01248"},{"ID":"DB00997"},{"ID":"DB00095"},{"ID":"DB00445"},{"ID":"DB00530"},{"ID":"DB01196"},{"ID":"DB00005"},{"ID":"DB00773"},{"ID":"DB00322"},{"ID":"DB01073"},{"ID":"DB00687"},{"ID":"DB00544"},{"ID":"DB00317"},{"ID":"DB00441"},{"ID":"DB00056"},{"ID":"DB05259"},{"ID":"DB00741"},{"ID":"DB01005"},{"ID":"DB00078"},{"ID":"DB00078"},{"ID":"DB01177"},{"ID":"DB01181"},{"ID":"DB00619"},{"ID":"DB00065"},{"ID":"DB00762"},{"ID":"DB00480"},{"ID":"DB01206"},{"ID":"DB00888"},{"ID":"DB01042"},{"ID":"DB01033"},{"ID":"DB00563"},{"ID":"DB00959"},{"ID":"DB00305"},{"ID":"DB01204"},{"ID":"DB00075"},{"ID":"DB00688"},{"ID":"DB01024"},{"ID":"DB00108"},{"ID":"DB01280"},{"ID":"DB04868"},{"ID":"DB08935"},{"ID":"DB00043"},{"ID":"DB00526"},{"ID":"DB01229"},{"ID":"DB00059"},{"ID":"DB00552"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01168"},{"ID":"DB06372"},{"ID":"DB00073"},{"ID":"DB00877"},{"ID":"DB00398"},{"ID":"DB00428"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00853"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB01041"},{"ID":"DB04572"},{"ID":"DB00352"},{"ID":"DB08895"},{"ID":"DB01030"},{"ID":"DB00081"},{"ID":"DB00755"},{"ID":"DB00620"},{"ID":"DB00385"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00476","Drugs":["DB00072"]}]},{"ID":"DB00073","Name":"Rituximab","DrugType":"biotech","HalfLife":"0.8 hours (mammalian reticulocytes, in vitro)","Description":"Rituxan is a genetically engineered chimeric murine/human monoclonal antibody directed against the CD20 antigen found on the surface of normal and malignant B lymphocytes. The antibody is an IgG1 kappa immunoglobulin containing murine light- and heavy-chain variable region sequences and human constant region sequences. Rituximab is composed of two heavy chains of 451 amino acids and two light chains of 213 amino acids","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of CD20-positive non-Hodgkins lymphoma, chronic lymphocytic leukemia, and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"The Fab regions of rituximab binds to the CD20 antigen on B lymphocytes, while the Fc domain recruits antibodies and complements to mediate cell lysis.","Pharmacodynamics":"Rituximab binds to the CD20 antigen, which is predominantly expressed on mature B cells and on \u003e90% of B-cell\r\nnon-Hodgkin's lympohomas. The antibody leads to selective killing of B-cells.","Absorption":"","Interactions":[{"ID":"DB01281"},{"ID":"DB09026"},{"ID":"DB08822"},{"ID":"DB00195"},{"ID":"DB08904"},{"ID":"DB00880"},{"ID":"DB00966"},{"ID":"DB01162"},{"ID":"DB08895"},{"ID":"DB00839"},{"ID":"DB00214"},{"ID":"DB00519"},{"ID":"DB00072"},{"ID":"DB01021"},{"ID":"DB00177"},{"ID":"DB00661"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00074","Name":"Basiliximab","DrugType":"biotech","HalfLife":"7.2 +/- 3.2 days (adults)","Description":"A recombinant chimeric (murine/human) monoclonal antibody (IgG1k) that functions as an immunosuppressive agent, specifically binding to and blocking the interleukin-2 receptor a-chain (IL-2R alpha, also known as CD25 antigen) on the surface of activated T-lymphocytes. It is a 144 kDa glycoprotein obtained from fermentation of an established mouse myeloma cell line genetically engineered to express plasmids containing the human heavy and light chain constant region genes and mouse heavy and light chain variable region genes encoding the RFT5 antibody that binds selectively to the IL-2R alpha.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For prophylactic treatment of kidney transplant rejection","Toxicity":"","MechanismOfAction":"Basiliximab binds with high-affinity to the alpha-subunit (CD25) of the high-affinity IL-2 receptor. This inhibits IL-2 binding, which inhibits T-cell activation and prevents the body from mounting an immune response against the foreign kidney.","Pharmacodynamics":"Basiliximab functions as an IL-2 receptor antagonist. Specifically it inhibits IL-2-mediated activation of lymphocytes, a critical pathway in the cellular immune response involved in allograft rejection.","Absorption":"","Interactions":[{"ID":"DB06168"},{"ID":"DB06372"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00075","Name":"Muromonab","DrugType":"biotech","HalfLife":"0.8 hours (mammalian reticulocytes, in vitro)","Description":"Murine monoclonal antibody specific to CD3 T-cell lymphocyte antigens. More specifically it is a purified murine (mouse) monoclonal antibody, directed against the CD3 (T3) receptor on the surface of human T-cells (T-lymphocytes) cultured using the murine ascites method. Muromonab is 93% monomeric immune globulin G type 2a (IgG2a).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of organ transplant recipients, prevention of organ rejection","Toxicity":"","MechanismOfAction":"Muromonab binds to the T-cell surface glycoprotein CD3 epsilon chain. It appears to kill CD-3 positive cells by inducing Fc mediated apoptosis, antibody mediated cytotoxicity and complement-dependent cytotoxicity.","Pharmacodynamics":"Used in organ transplant prophylaxis, Muromonab or OKT-3 binds specifically to the CD-3 complex, which is involved in antigen recognition and cell stimulation, on the surface of T lymphocytes. Immediately after administration CD-3-positive T lymphocytes are abruptly removed from circulation. It has been effective in reversing corticosteroid-resistant acute rejection in renal, liver, and cardiac transplant recipients.","Absorption":"","Interactions":[{"ID":"DB00091"},{"ID":"DB06372"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00076","Name":"Digoxin Immune Fab (Ovine)","DrugType":"biotech","HalfLife":"15-20 hrs","Description":"Digoxin Immune Fab is a sheep antibody (26-10) FAB fragment from sheep immunized with the digoxin derivative Digoxindicarboxymethylamine. It is used as an antidote for overdose of digoxin.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of digitoxin overdose or digitalis glycoside toxicity.","Toxicity":"","MechanismOfAction":"Binds excess digoxin or digitoxin molecules circulating in the blood.","Pharmacodynamics":"DigiFab binds molecules of digoxin, making them unavailable for binding at their site of action on cells in the body. The Fab fragment-digoxin complex accumulates in the blood, from which it is excreted by the kidney. The net effect is to shift the equilibrium away from binding of digoxin to its receptors in the body, thereby reversing its effects.","Absorption":"","Interactions":[{"ID":"DB08810"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00078","Name":"Ibritumomab","DrugType":"biotech","HalfLife":"0.8 hours (mammalian reticulocytes, in vitro)","Description":"Indium conjugated murine IgG1 kappa monoclonal antibody directed against the CD20 antigen, which is found on the surface of normal and malignant B lymphocytes. Ibritumomab is produced in Chinese hamster ovary cells and is composed of two murine gamma 1 heavy chains of 445 amino acids each and two kappa light chains of 213 amino acids each.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of non-Hodgkin's lymphoma","Toxicity":"","MechanismOfAction":"The Fab segment of the antibody targets the CD20 epitope on B-cells, allowing the radioactive yttrium to destroy the cell via production of beta particles.","Pharmacodynamics":"Ibritumomab is a murine monoclonal antibody against CD20 that has been radiolabeled with yttrium-90.","Absorption":"","Interactions":[{"ID":"DB08879"},{"ID":"DB00363"},{"ID":"DB06643"},{"ID":"DB00063"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB08895"},{"ID":"DB00072"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00080","Name":"Daptomycin","DrugType":"biotech","HalfLife":"Half-life elimination: 8-9 hours (up to 28 hours in renal impairment) ","Description":"Daptomycin is a lipopeptide antibiotic that kills susceptible gram positive bacteria by disrupting their membrane potential. It is a naturally-occurring compound found in the soil bacterium \u003ci\u003eStreptomyces roseosporus\u003c/i\u003e. Antibiotics are used in the treatment of infections caused by bacteria. They work by killing bacteria or preventing their growth. Daptomycin will not work for colds, flu, or other virus infections. It was approved in September 2003 for the treatment of complicated skin and soft tissue infections. It has a safety profile similar to other agents commonly administered to treat gram-positive infections.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of complicated skin and skin structure infections caused by susceptible strains of Gram-positive microorganisms.","Toxicity":"","MechanismOfAction":"Daptomycin appears to bind or insert into the outer membrane of gram positive bacteria. The binding and integration of daptomycin into the cell membrane is calcium dependent. Calcium ions cause a conformational change in daptomycin, augmenting its amphipathicity (hydrophilic head group and hydrophobic tail group), leading to incorporation into the cell membrane.\r\nThis binding causes rapid depolarisation, resulting in a loss of membrane potential leading to inhibition of protein, DNA and RNA synthesis, which results in bacterial cell death. The bactericidal activity of daptomycin is concentration-dependent. There is in vitro evidence of synergy with β-lactam antibiotics.\r\n","Pharmacodynamics":"Daptomycin is a 13 member amino acid cyclic lipopeptide antibiotic active against Gram-positive bacteria only. It has proven in vitro activity against enterococci (including glycopeptide-resistant Enterococci (GRE)), staphylococci (including methicillin-resistant \u003ci\u003eStaphylococcus aureus\u003c/i\u003e), streptococci and corynebacteria. Daptomycin is derived from the fermentation product of Streptomyces roseosporus. \r\n","Absorption":"Generally exhibits linear and time-independent pharmacokinetics at a dosage of 4–12 mg/kg IV once every 24 hours. Steady-state trough serum concentrations are achieved by the third daily dose.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00081","Name":"Tositumomab","DrugType":"biotech","HalfLife":"0.8 hours (mammalian reticulocytes, in vitro)","Description":"Murine IgG2a lambda monoclonal antibody against CD20 antigen (2 heavy chains of 451 residues, 2 lambda chains of 220 residues). It is produced in an antibiotic-free culture of mammalian cells. It can be covalently linked to Iodine 131 (a radioactive isotope of iodine).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of non-Hodgkin's lymphoma (CD20 positive, follicular)","Toxicity":"","MechanismOfAction":"Binds to the CD20 antigen which is found on mature B lymphocytes. The antibody binding appears to induce apoptosis, complement-dependent cytotoxicity and cell death through ionizing radiation.","Pharmacodynamics":"Tositumomab binds to the CD20 antigen, which is predominantly expressed on mature B cells and on \u003e90% of B-cell non-Hodgkin's lympohomas. The antibody leads to selective killing of B-cells.","Absorption":"","Interactions":[{"ID":"DB00108"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00082","Name":"Pegvisomant","DrugType":"biotech","HalfLife":"~6 days","Description":"Pegvisomant is a highly selective growth hormone (GH) receptor antagonist. It is used to treat acromegaly. Unlike dopamine or somatostatin analogs (which inhibit growth hormone secretion), this drug actually blocks the hepatic (GH-mediated) production of insulin like growth factor (IGF-1), which is the main mediator of growth hormone activity.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Pegvisomant is a growth hormone receptor antagonist used for the treatment of acromegaly.","Toxicity":"","MechanismOfAction":"Somavert selectively binds to growth hormone (GH) receptors on cell surfaces, where it blocks the binding of endogenous GH. This leads to the normalization of serum IGF-1 levels.","Pharmacodynamics":"Somavert is used for the treatment of acromegaly, which arises from excessive IGF-1 levels. Somavert selectively binds to growth hormone (GH) receptors on cell surfaces, where it blocks the binding of endogenous GH, and thus interferes with GH signal transduction. Inhibition of GH action results in decreased serum concentrations of insulin-like growth factor-I (IGF-I), and IGF binding protein-3 (IGFBP-3). This reduces the symptoms of acromegaly.","Absorption":"","Interactions":[{"ID":"DB01551"},{"ID":"DB01276"},{"ID":"DB01306"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00083","Name":"Botulinum Toxin Type A","DrugType":"biotech","HalfLife":"","Description":"Purified botulinum toxin from Clostridium botulinum, purified from culture via dialysis and acid precipitation.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of cervical dystonia in adults to decrease the severity of abnormal head position and neck pain associated with cervical dystonia. Also for the treatment of severe primary axillary hyperhidrosis that is inadequately managed with topical agents and for the treatment of strabismus and blepharospasm associated with dystonia, including benign essential blepharospasm or VII nerve disorders in patients 12 years of age and above. Also used cosmetically to temporarily improve the appearance of moderate-to-severe frown lines between the eyebrows (glabellar lines) as well as for the treatment of excessive underarm sweating.","Toxicity":"Based on toxicological studies, it has been estimated that the human LD50 \r\nby injection is approximately 2800 Units, equivalent to 28 individual vials of BOTOX (Botulinum Toxin Type A) Purified Neurotoxin Complex (100 Units) for a 70 kg adult. When injected intramuscularly, Botulinum Toxin Type A has been shown to be teratogenic or to have embryocidal effects in some animal species.","MechanismOfAction":"Botulinum Toxin Type A blocks neuromuscular transmission by binding to acceptor sites on motor or sympathetic nerve terminals, entering the nerve terminals, and inhibiting the release of acetylcholine. This inhibition occurs as the neurotoxin cleaves SNAP-25, a protein integral to the successful docking and release of acetylcholine from vesicles situated within nerve endings.","Pharmacodynamics":"A 150 kDa neurotoxic protein produced from fermentation of Hall strain Clostridium botulinum type A grown in a medium containing casein hydrolysate, glucose and yeast extract. It is purified from the culture solution by dialysis and a series of acid precipitations to a complex consisting of the neurotoxin, and several accessory proteins. Botulinum Toxin Type A is not expected to be present in the peripheral blood at measurable levels following IM or intradermal injection at the recommended doses. The recommended quantities of neurotoxin administered at each treatment session are not expected to result in systemic, overt distant clinical effects, i.e. muscle weakness, in patients without other neuromuscular dysfunction. However, sub-clinical systemic effects have been shown by single-fiber electromyography after IM doses of botulinum toxins appropriate to produce clinically observable local muscle weakness.","Absorption":"The chemical complexity of Botulinum Toxin Type A combined with its extreme potency limits the opportunity to study its pharmacokinetic profile in humans. Therefore, no human pharmacokinetic studies have been performed. Botulinum Toxin Type A is injected directly into the target organ, a skeletal muscle. Thus, bioavailability of the intravenous or oral route is not of clinical relevance. \r\n","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00085","Name":"Pancrelipase","DrugType":"biotech","HalfLife":"Pancrelipase is not significantly absorbed from the gastrointestinal tract and acts locally, so there is no terminal elimination half life. ","Description":"Pancrelipase is an enzyme mixture isolated from porcine or bovine pancreas, sometimes called pancreatin. It contains 3 enzymes: amylase, lipase, and a protease (chymotrypsin). Pancrelipase is marketed under several brand names such as Ultresa™ and Viokace™.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of exocrine pancreatic insufficiency in cystic fibrosis (Ultresa™), chronic pancreatitis (Viokace™ in combination with a proton pump inhibitor), and pancreatectomy (Viokace™ in combination with a proton pump inhibitor). \r\n\r\n","Toxicity":"Overdose symptoms may include diarrhea or stomach upset. The most common adverse reactions seen are ear, neck, and abdominal pain; headache, nasal congestion, and beta-hemolytic streptococcal infection.\r\n\r\n","MechanismOfAction":"The lipase, protease and amylase components of pancrelipase break down fat, protein, and starches, respectively, in the small intestine. Lipase hydrolyzes fats into glycerol and fatty acids. Protease converts proteins into proteoses and derived substances, while amylase converts starches into dextrins and sugars.","Pharmacodynamics":"Used in the treatment of cystic fibrosis or pancreatic dysfunction, pancrelipase helps improve fat digestion in the small intestine. Specifically, the lipase, protease and amylase components break down fat, protein, and starches, respectively, in the small intestine. Lipase hydrolyzes fats into glycerol and fatty acids. Protease converts proteins into proteoses and derived substances, while amylase converts starches into dextrins and sugars. Pancreatic enzymes are used to correct maldigestion, malabsorption and pain associated with pancreatic insufficiency. The major maldigestion/malabsorption problems arise from incomplete fat digestion. Exogenous pancrelipase reduces the amount of nitrogen and fat excreted in the stool.","Absorption":"Pancrelipase is not significantly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01592"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00086","Name":"Streptokinase","DrugType":"biotech","HalfLife":"","Description":"Streptokinase, is a sterile, purified preparation of a bacterial protein elaborated by group C (beta) -hemolytic streptococci.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of acute evolving transmural myocardial infarction, pulmonary embolism, deep vein thrombosis, arterial thrombosis or emolism and occlusion of arteriovenous cannulae","Toxicity":"","MechanismOfAction":"Plasminogen is an inactive molecule that becomes activated to plasmin when the Arg/Val bond is cleaved. Plasmin breaks down fibrin clots created by the blood clotting cascade. Streptokinase forms a highly specific 1:1 enzymatic complex with plasminogen which converts inactive plasminogen molecules into active plasmin. Plasmin degrades fibrin clots as well as fibrinogen and other plasma proteins. This in turn leads to the degradation of blood clots.","Pharmacodynamics":"Streptokinase creates an active complex which promotes the cleavage of the Arg/Val bond in plasminogen to form the proteolytic enzyme plasmin. Plasmin in turn degrades the fibrin matrix of the thrombus, thereby exerting its thrombolytic action. This helps eliminate blood clots or arterial blockages that cause myocardial infarction.","Absorption":"","Interactions":[{"ID":"DB00208"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00282","Drugs":["DB00086","DB01373"]}]},{"ID":"DB00087","Name":"Alemtuzumab","DrugType":"biotech","HalfLife":"~288 hrs","Description":"Humanized monoclonal antibody specific to lymphocyte antigens. It is a recombinant DNA-derived humanized monoclonal antibody (Campath-1H) that is directed against the 21-28 kD cell surface glycoprotein,CD52. The Campath-1H antibody is an IgG1 kappa with human variable framework and constant regions, and complementarity-determining regions from a murine (rat) monoclonal antibody (Campath-1G). Campath is produced in mammalian cell (Chinese hamster ovary) suspension culture in a medium containing neomycin.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Alemtuzumab (Campath) is a monoclonal antibody therapy used for treatment of B-cell chronic lymphocytic leukemia.","Toxicity":"","MechanismOfAction":"Campath binds to the CD52 antigen present on most B and T lymphocytes. This binding leads to antibody-dependent lysis of leukemic cells.","Pharmacodynamics":"Campath is used to treat leukemia by exploiting antibody mediated lysis of CD52 presenting cells. The CD52 antigen is a cell surface protein found on essentially all B and T lymphocytes, a majority of monocytes, macrophages and most granulocytes. The CD52 antigen is not present on erythrocytes or hematopoetic stem cells. In leukemia there is an excess of B and T cells, so Campath permits selective reduction of lymphocyte populations.","Absorption":"","Interactions":[{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00088","Name":"Alglucerase","DrugType":"biotech","HalfLife":"3.6-10.4 min","Description":"Human Beta-glucocerebrosidase or Beta-D-glucosyl-N-acylsphingosine glucohydrolase E.C. 3.2.1.45. 497 residue protein with N-linked carbohydrates, MW=59.3 kD. Alglucerase is prepared by modification of the oligosaccharide chains of human Beta-glucocerebrosidase. The modification alters the sugar residues at the non-reducing ends of the oligosaccharide chains of the glycoprotein so that they are predominantly terminated with mannose residues","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Gaucher's disease (deficiency in glucocerebrosidase)","Toxicity":"","MechanismOfAction":"Alglucerase catalyzes the hydrolysis of the glycolipid, glucocerebroside, to glucose and ceramide as part of the normal degradation pathway for membrane lipids.","Pharmacodynamics":"Gaucher disease is characterized by a functional deficiency in Beta-glucocerebrosidase enzymatic activity and the resultant accumulation of lipid glucocerebroside in tissue macrophages which become engorged and are termed Gaucher cells. Gaucher cells are typically found in liver, spleen and bone marrow. This can lead to an enlarged spleen and liver (hepatosplenomegaly). Secondary hematologic sequelae include severe anemia and thrombocytopenia. Injections of alglucerase into Gaucher disease patients leads to elevated serum levels of the enzyme and reduction in the accumulation of glucocerebroside","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00089","Name":"Capromab","DrugType":"biotech","HalfLife":"","Description":"Capromab is a Murine IgG1 monoclonal 7E11-C5.3 antibody that recognizes prostate specific membrane antigen (PSMA – also known as glutamate carboxypeptidase 2) from prostate cancer cells and normal prostate tissue. It is linked to pendetide, a derivative of DTPA. Pendetide acts as a chelating agent for the radionuclide indium-111. Capromab is used to image the extent of prostate cancer.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For diagnosis of prostate cancer and detection of intra-pelvic metastases.","Toxicity":"","MechanismOfAction":"Binds selectively to cell-surface prostate-specific membrane antigen (PSMA) expressed on prostate tissues and tumors.","Pharmacodynamics":"Binds to the prostate-specific membrane antigen, which is a cell surface protein generally overexpressed in prostate tissues and prostate cancers. The radioactive Indium 111, which is covalently attached to the antibody, allows radiodiagnostic detection of PSMA expressing cells and tumors.","Absorption":"","Interactions":[{"ID":"DB06719"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00090","Name":"Laronidase","DrugType":"biotech","HalfLife":"1.5-3.6 hrs","Description":"Human recombinant alpha-L-iduronidase, 628 residues (mature form), produced by recombinant DNAtechnology in a Chinese hamster ovary cell line. Laronidase is a glycoprotein with a molecular weight of approximately 83 kD. The predicted amino acid sequence of the recombinant form, as well as the nucleotide sequence that encodes it, are identical to a polymorphic form of human a-L-iduronidase. It contains 6 N-linked oligosaccharide modification sites.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of mucopolysaccharidosis","Toxicity":"","MechanismOfAction":"Laronidase catalyses the hydrolysis of terminal alpha-L-iduronic acid residues of dermatan sulfate and heparin sulfate.","Pharmacodynamics":"Laronidase is used to treat mucopolysaccharide storage disorders (specifically mucopolysaccharidosis 1 or Hurlers syndrome) caused by deficiencies of alpha-L-iduronidase. Reduced or absent a-L-iduronidase activity results in the accumulation of the GAG substrates, dermatan sulfate and heparan sulfate, throughout the body and leads to widespread cellular, tissue, and organ dysfunction.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00091","Name":"Cyclosporine","DrugType":"small molecule","HalfLife":"Biphasic and variable, approximately 7 hours (range 7 to 19 hours) in children and approximately 19 hours (range 10 to 27 hours) in adults.","Description":"A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. Cyclosporine is produced as a metabolite by the fungus species Cordyceps militaris. (From Martindale, The Extra Pharmacopoeia, 30th ed).","Classification":{"Description":"This compound belongs to the cyclosporins. These are cyclic depsipeptides containing the cyclosporin backbone.","DirectParent":"Cyclosporins","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of transplant (kidney, liver, and heart) rejection, rheumatoid arthritis, severe psoriasis. ","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e is 2329 mg/kg in mice, 1480 mg/kg in rats, and \u003e 1000 mg/kg in rabbits. The I.V. LD\u003csub\u003e50\u003c/sub\u003e is 148 mg/kg in mice, 104 mg/kg in rats, and 46 mg/kg in rabbits.","MechanismOfAction":"Cyclosporine binds to cyclophilin. The complex then inhibits calcineurin which is normally responsible for activating transcription of interleukin 2. Cyclosporine also inhibits lymphokine production and interleukin release. In ophthalmic applications, the precise mechanism of action is not known. Cyclosporine emulsion is thought to act as a partial immunomodulator in patients whose tear production is presumed to be suppressed due to ocular inflammation associated with keratoconjunctivitis sicca.","Pharmacodynamics":"Used in immunosuppression for prophylactic treatment of organ transplants, cyclosporine exerts specific and reversible inhibition of immunocompetent lymphocytes in the G0-or G1-phase of the cell cycle. T-lymphocytes are preferentially inhibited. The T1-helper cell is the main target, although the T1-suppressor cell may also be suppressed. Sandimmune (cyclosporine) also inhibits lymphokine production and release including interleukin-2.","Absorption":"The absorption of cyclosporine from the gastrointestinal tract is incomplete and variable. The extent of absorption is dependent on the individual patient, the patient population, and the formulation. The absolute bioavailability of cyclosproine administered as Sandimmune® is dependent on the patient population, estimated to be less than 10% in liver transplant patients and as great as 89% in some renal transplant patients. Compared to an intravenous infusion, the absolute bioavailability of the oral solution is approximately 30% based upon the results in 2 patients. The cyclosporine capsules and oral solution are bioequivalent. The time of peak blood concentrations (Tmax) following oral administration of cyclosporine [modified] ranged from 1.5 - 2.0 hours. ","Interactions":[{"ID":"DB00819"},{"ID":"DB09026"},{"ID":"DB00437"},{"ID":"DB01118"},{"ID":"DB01351"},{"ID":"DB00681"},{"ID":"DB00701"},{"ID":"DB01352"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB00207"},{"ID":"DB01393"},{"ID":"DB00559"},{"ID":"DB01156"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB01136"},{"ID":"DB00520"},{"ID":"DB00439"},{"ID":"DB00446"},{"ID":"DB00608"},{"ID":"DB01597"},{"ID":"DB00537"},{"ID":"DB01211"},{"ID":"DB01190"},{"ID":"DB01394"},{"ID":"DB01406"},{"ID":"DB00586"},{"ID":"DB00390"},{"ID":"DB01341"},{"ID":"DB00343"},{"ID":"DB04855"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB00749"},{"ID":"DB00773"},{"ID":"DB00973"},{"ID":"DB00573"},{"ID":"DB08874"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00712"},{"ID":"DB01095"},{"ID":"DB01319"},{"ID":"DB00529"},{"ID":"DB01320"},{"ID":"DB00222"},{"ID":"DB01067"},{"ID":"DB01016"},{"ID":"DB00400"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB01050"},{"ID":"DB00619"},{"ID":"DB01598"},{"ID":"DB00224"},{"ID":"DB00328"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB01009"},{"ID":"DB00227"},{"ID":"DB00939"},{"ID":"DB00784"},{"ID":"DB01042"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00474"},{"ID":"DB00563"},{"ID":"DB00422"},{"ID":"DB00849"},{"ID":"DB01233"},{"ID":"DB00745"},{"ID":"DB00075"},{"ID":"DB00461"},{"ID":"DB00607"},{"ID":"DB00788"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01115"},{"ID":"DB01059"},{"ID":"DB00104"},{"ID":"DB00338"},{"ID":"DB01083"},{"ID":"DB00991"},{"ID":"DB00776"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00554"},{"ID":"DB08860"},{"ID":"DB01263"},{"ID":"DB00175"},{"ID":"DB00794"},{"ID":"DB01599"},{"ID":"DB01182"},{"ID":"DB00339"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00912"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB06372"},{"ID":"DB00503"},{"ID":"DB01098"},{"ID":"DB00778"},{"ID":"DB01232"},{"ID":"DB00418"},{"ID":"DB00658"},{"ID":"DB01105"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB01323"},{"ID":"DB00359"},{"ID":"DB01582"},{"ID":"DB01015"},{"ID":"DB00795"},{"ID":"DB01138"},{"ID":"DB00605"},{"ID":"DB00864"},{"ID":"DB00306"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00469"},{"ID":"DB00857"},{"ID":"DB00894"},{"ID":"DB00624"},{"ID":"DB01420"},{"ID":"DB00599"},{"ID":"DB01600"},{"ID":"DB00208"},{"ID":"DB00932"},{"ID":"DB00684"},{"ID":"DB08895"},{"ID":"DB00500"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00193"},{"ID":"DB00519"},{"ID":"DB05275"},{"ID":"DB00072"},{"ID":"DB00656"},{"ID":"DB00197"},{"ID":"DB01361"},{"ID":"DB01586"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00092","Name":"Alefacept","DrugType":"biotech","HalfLife":"~270 hours","Description":"Immunosuppressive dimeric fusion protein that consists of the extracellular CD2-binding portion of the human leukocyte function antigen-3 (LFA-3) linked to the Fc (hinge, CH2 and CH3 domains) portion of human IgG1. Produced by CHO cells, mW is 91.4 kD.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"As an immunosuppressive drug, Alefacept can be used for treatment of moderate to severe chronic plaque psoriasis","Toxicity":"While it has been found to cross the placenta in monkeys, it is not yet known if it also diffuses into breast milk. ","MechanismOfAction":"Inhibits T-lymphocyte activation and production by binding to the CD2 lymphocyte antigen.","Pharmacodynamics":"Interferes with lymphocyte activation by specifically binding to the lymphocyte antigen, CD2, and inhibiting LFA-3/CD2 interaction. Activation of T lymphocytes involving the interaction between LFA-3 on antigen-presenting cells and CD2 on T lymphocytes plays a role in the pathophysiology of chronic plaque psoriasis. Also causes a reduction in subsets of CD2+ T lymphocytes as well as CD4+ and CD8+ T lymphocytes.","Absorption":"Bioavailability after IM administration is 63%.","Interactions":[{"ID":"DB06168"},{"ID":"DB06372"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00093","Name":"Felypressin","DrugType":"small molecule","HalfLife":"","Description":"A synthetic nonapeptide comprising cysteinyl, phenylalanyl, phenylalanyl, glutaminyl, asparaginyl, cysteinyl, prolyl, lysyl, and glycinamide residues in sequence, with a disulfide bridge joining the two cysteine residues. Its antidiuretic effects are less than those of vasopressin. It is used as a vasoconstrictor in local anaesthetic injections for dental use, and is an ingredient of preparations that have been used for treatment of pain and inflammation of the mouth. [ChEBI]","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use as an alternative to adrenaline as a localising agent, provided that local ischaemia is not essential.","Toxicity":"","MechanismOfAction":"Felypressin binds to the vasopressin receptor V1a. This causes contraction of the smooth muscle in the vascular bed, especially capillaries, small arterioles and venules.","Pharmacodynamics":"Felypressin is a synthetic analog of lypressin or vasopressin with more vasoconstrictor activity than antidiuretic action. It is used primarily as a hemostatic. Felypressin is a non-catecholamine vasoconstrictor that is chemically related to vasopressin, the posterior pituitary hormone.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00094","Name":"Urofollitropin","DrugType":"biotech","HalfLife":"Circulation half life of 3-4 hours, elimination half life of 35-40 hours","Description":"Urofollitropin is a purified form of follicle-stimulating hormone (FSH) that is manufactured by extraction from human urine and then purified. It consists of two non-covalently linked, non-identical glycoproteins designated as the alpha- and beta- subunits. The alpha- and beta- subunits have 92 and 111 amino acids. The alpha subunit is glycosylated at Asn 51 and Asn 78 while the beta subunit is glycosylated at Asn 7 and Asn 24. Urofollitropin is important in the development of follicles produced by the ovaries. Given by subcutaneous injection, it is used in combination with human chorionic gonadotropin (hCG) to assist in ovulation and fertility. Urofollitropin may also be used to cause the ovary to produce several follicles, which can then be harvested for use in gamete intrafallopian transfer (GIFT) or in vitro fertilization (IVF).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of female infertility","Toxicity":"","MechanismOfAction":"FSH binds to the follicle stimulating hormone receptor which is a G-coupled transmembrane receptor. Binding of the FSH to its receptor seems to induce phosphorylation and activation of the PI3K (Phosphatidylinositol-3-kinase) and Akt signaling pathway, which is known to regulate many other metabolic and related survival/maturation functions in cells.","Pharmacodynamics":"Used for the treatment of female infertility, urofollitropin or follicle stimulating hormone (FSH) stimulates ovarian follicular growth in women who do not have primary ovarian failure. FSH, the active component of urofollitropin is the primary hormone responsible for follicular recruitment and development.","Absorption":"74%","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00095","Name":"Efalizumab","DrugType":"biotech","HalfLife":"5 days","Description":"Humanized IgG1 kappa isotype monoclonal antibody that binds to human CD11a. Efalizumab has a molecular weight of approximately 150 kilodaltons and is produced in a Chinese hamster ovary mammalian cell expression system in a nutrient medium containing the antibiotic gentamicin.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of adult patients with moderate to severe chronic plaque psoriasis, who are candidates for phototherapy or systemic therapy.","Toxicity":"","MechanismOfAction":"Efalizumab binds to CD11a, a subunit of leukocyte function antigen-1 (LFA-1), which is expressed on all leukocytes. As a result efalizumab decreases cell surface expression of CD11a.","Pharmacodynamics":"Lymphocyte activation and trafficking to skin play a role in the pathophysiology of chronic plaque psoriasis. In psoriatic skin, ICAM-1 cell surface expression is upregulated on endothelium and keratinocytes. Raptiva inhibits the binding of LFA-1 to the intercellular adhesion molecule-1 (ICAM-1), thereby inhibiting the adhesion of leukocytes to other cell types.","Absorption":"Average efalizumab bioavailability following subcutaneous administration was estimated at 30 to 50%.","Interactions":[{"ID":"DB01253"},{"ID":"DB06372"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00096","Name":"Serum albumin","DrugType":"biotech","HalfLife":"","Description":"A sterile non-pyrogenic suspension of microspheres of human serum albumin with perflutren (a highly fluorinated small molecule) for contrast enhancement during indicated ultrasound imaging procedures.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of severe blood loss, hypervolemia, hypoproteinemia.","Toxicity":"","MechanismOfAction":"Serum albumin acts as a high molecular weight, very soluble osmolyte. Serum albumin also acts as a protein drug carrier in plasma, and transports hemin, steroids, thyroid hormones and fatty acids. It binds many other substances, such as unconjugated bilirubin, calcium ions, and other fat soluble hormones. ","Pharmacodynamics":"Serum albumin is a soluble, monomeric protein necessary for maintaining and regulating the colloidal osmotic pressure of blood. It is used to increase the circulating plasma volume, thereby reducing hemoconcentration and blood viscosity. Also used as a transport protein that binds naturally occurring, therapeutic and toxic materials in circulation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00097","Name":"Choriogonadotropin alfa","DrugType":"biotech","HalfLife":"The mean terminal half-life is about 29 ± 6 hours (initial half-life is 4.5 ± 0.5 hours).","Description":"Recombinant human chorionic gonadotropin with 2 subunits, alpha = 92 residues, beta = 145 residues, each with N-and O-linked carbohydrate moieties linked to ASN-52 and ASN-78 (on alpha subunit) and ASN-13, ASN-30, SER-121, SER-127, SER-132 and SER-138 (on beta subunit). The primary structure of the alpha-chain of r-hCG is identical to that of the alpha-chain of hCG, FSH and LH.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of female infertility","Toxicity":"","MechanismOfAction":"Choriogonadotropin alfa binds to the Follicle stimulating hormone receptor which results in ovulation in the absence of sufficient endogenous Luteinizing hormone.","Pharmacodynamics":"Choriogonadotropin alfa is used to treat female infertility, Choriogonadotropin alfa stimulates late follicular maturation and resumption of oocyte meiosis, and initiates rupture of the pre-ovulatory ovarian follicle. Ovidrel is an analogue of Luteinizing Hormone (LH) and binds to the LH/hCG receptor of the granulosa and theca cells of the ovary to effect these changes in the absence of an endogenous LH surge.","Absorption":"The mean absolute bioavailability following a single subcutaneous injection to healthy female volunteers is about 40%.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00098","Name":"Antithymocyte globulin","DrugType":"biotech","HalfLife":"2-3 days, may increase after multiple doses administration","Description":"Rabbit anti-thymocyte globulin. Thymoglobulin is a polyclonal antibody that suppresses certain types of immune cells responsible for acute organ rejection in transplant patients. Thymoglobulin is a mixture of antibodies intended to bind to various cell surface antigens. The most common mode of action of Thymoglobulin is via selective depletion of T-cells.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For prevention of renal transplant rejection","Toxicity":"Not known whether ATG (rabbit) distributes into human milk; however, other immunoglobulins are distributed into human milk.","MechanismOfAction":"Binds to multiple, T-cell specific antigens leading to T-lymphocyte cell death via complement mediated cytotoxicity or apoptosis.","Pharmacodynamics":"Antithymocyte Globulin (ATG)is a concentrated anti-human T-lymphocyte immunoglobulin preparation derived from rabbits after immunization with a T-lympoblast cell line. ATG is an immunosuppressive product for the prevention and treatment of acute rejection following organ transplantation. ATG reduces the host immune response against tissue transplants or organ allografts.","Absorption":"T-cell depletion usually observed within 1 day after initiating therapy.\r\nAverage 21.5 and 87 mcg/mL 4–8 hours post-infusion after first and last IV doses, respectively, when given for 7–11 days.","Interactions":[{"ID":"DB06168"},{"ID":"DB06643"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB06372"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00099","Name":"Filgrastim","DrugType":"biotech","HalfLife":"Elimination half-life, healthy subjects and cancer patients, Neopogen = 3.5 hours;\r\nElimination half-life, cancer patients, tbo-filgrastim = 3.2-3.8 hours ","Description":"Filgrastim is a recombinant, non-pegylated human granulocyte colony stimulating factor (G-CSF) analogue manufactured by recombinant DNA technology using a strain of E. coli. It is marketed as the brand name Neupogen by Amgen. Chemically, it consists of 175 amino acid residues. The protein has an amino acid sequence that is identical to the natural sequence predicted from human DNA sequence analysis, except for the addition of an N-terminal methionine necessary for expression in E coli. Tbo-filgrastim, which is marketed by Sicor Biotech and FDA approved on August 29, 2012, contains the same active ingredient as Neupogen and is biologically similar, but it is formulated to be short-acting. On March 6, 2015, the FDA approved the biosimilar Zarxio (filgrastim-sndz) and is indicated for use in the same conditions as Neupogen. Zarxio is marketed by Sandoz. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Filgrastim is used in patients with acute myeloid leukemia receiving induction or consolidation chemotherapy. It is also used in cancer patients receiving bone marrow transplant. In general, filgrastim increases neutrophil counts in order to decrease the risk of infection or duration of neutropenia in the aforementioned patient populations. Infection and neutropenia are adverse events associated with chemotherapy. Furthermore, filgrastim is also indicated for patients with severe chronic neutropenia. It mobilizes hematopoietic progenitor cells into the peripheral blood for collection by leukapheresis to allow for a more rapid engraftment. Tbo-filgrastim has a narrower indication profile than Neupogen - it is a leukocyte growth factor indicated for the reduction in the duration of severe neutropenia in patients with non-myeloid malignancies.","Toxicity":"","MechanismOfAction":"Filgrastim binds to the G-CSF receptor and stimulates the production of neutrophils in the bone marrow. As a G-CSF analog, it controls proliferation of committed progenitor cells and influences their maturation into mature neutrophils. Filgrastim also stimulates the release of neutrophils from bone marrow storage pools and reduces their maturation time. Filgrastim acts to increase the phagocytic activity of mature neutrophils. In patients receiving cytotoxic chemotherapy, Filgrastim can accelerate neutrophil recovery, leading to a reduction in duration of the neutropenic phase","Pharmacodynamics":"Used in the treatment of chemotherapy-induced neutropenia by enhancing the production of neutrophils. Filgrastim acts on hematopoietic cells by binding to specific cell surface receptors thereby stimulating proliferation, differentiation, commitment, and end cell functional activation. When tbo-filgrastim is administered to cancer patients, it took 3-5 days to reach maximum absolute neutrophil count (ANC). Levels of neutrophils returned to baseline by 21 days following completion of chemotherapy. In the healthy volunteer trials, doubling the tbo-filgrastim subcutaneous dose from 5 to 10 mcg/kg resulted in a 16-19% increase in the ANCmax and a 33-36% increase in the area under the effect curve for ANC. ","Absorption":"Absorption and clearance of Neupogen follows first-order pharmacokinetic modeling without apparent concentration dependence. When 3.45 mcg/kg and 11.5 mcg/kg of Neupogen is subcutaneously administered, the maximum serum concentration is 4 and 49 ng/mL‚ respectively‚ within 2 to 8 hours. Neupogen does not accumulate. It is estimated that when filgrastim is subcutaneously administered, the absolute bioavailability is approximately 62% and 71% for 375 mcg and 750 mcg doses respectively. When 5 mcg/kg tbo-filgrastim is subcutaneously administered, the absolute bioavailability is 33%. It takes 4-6 hours for tho-filgrastim to reach maximum concentration. Like Neupogen, accumulation was not observed. ","Interactions":[{"ID":"DB00290"},{"ID":"DB00531"},{"ID":"DB01030"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00100","Name":"Coagulation Factor IX","DrugType":"biotech","HalfLife":"19.4 ± 5.4 hours (range from 11 to 36 hours)","Description":"Human Factor IX protein, produced by recombinant DNA technology for use in therapy of factor IX deficiency, known as hemophilia B or Christmas disease. Coagulation Factor IX (Recombinant) is a glycoprotein with an approximate molecular mass of 55,000 Da consisting of 415 amino acids in a single chain. It has a primary amino acid sequence that is identical to the Ala 148 allelic form of plasma-derived factor IX.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of hemophilia (Christmas disease).","Toxicity":"","MechanismOfAction":"Coagulation Factor IX is an important protein in the process of hemostasis and normal blood clotting. Factor IX is plays an important intermediate role in the blood coagulation cascade. It is located within the blood plasma as a zymogen, an antecedent to enzymatic function, in its inactivated state. Factor IX is dependent on the presence of Vitamin K, and is activated to a serine protease by the function of Coagulation Factor XIa. Factor XIa cleaves the peptide bond associated with protein activation in Factor IX, leaving Factor IX with two exposed chains, a light chain and a heavy chain. These two chains are held together by several disulfide bonds that reinforce the structure of Factor IX's activated form. After being activated, Factor IX forms a complex with calcium ions, membrane phospholipids and Coagulation Factor VIII to activate Coagulation Factor X. The activation of Factor X then performs a similarly integral step in the blood coagulation cascade. The ultimate result of phenotypically normal coagulation factors is the creation of platelets for normal blood clotting.","Pharmacodynamics":"Binds vitamin K and factor VIIIa. Cleaves the Arg-Ile bond in factor X to form active factor Xa. Plays a key role in blood coagulation and clotting. Injections of factor IX are used to treat hemophilia B, which is sometimes called Christmas disease. AlphaNine is injected to increase plasma levels of Factor IX and can temporarily correct this coagulation defect.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00102","Name":"Becaplermin","DrugType":"biotech","HalfLife":"","Description":"Becaplermin is produced by recombinant DNA technology by insertion of the gene for the B chain of platelet derived growth factor (PDGF) into the yeast, Saccharomyces cerevisiae. Becaplermin has a molecular weight of approximately 25 KD and is a homodimer composed of two identical polypeptide chains that are bound together by disulfide bonds","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For topical treatment of skin ulcers (from diabetes)","Toxicity":"","MechanismOfAction":"Binds to the beta platelet-derived growth factor (PDGF) receptor, a tyrosine kinase receptor. PDGF is known to exist as a dimer, and activates its signaling pathway by a ligand induced receptor dimerization and autophosphorylation. PDGF receptors also contain many auto-phosphorylation sites, which serve to mediate binding of SH2 sites and subsequently signal corresponding pathways. There are five different isoforms of PDGF that activate through two different receptors (alpha and beta).","Pharmacodynamics":"Used for the topical treatment of skin ulcers, Regranex has a biological activity similar to that of endogenous platelet-derived growth factor, which includes promoting the chemotactic recruitment and proliferation of cells involved in wound repair and enhancing the formation of granulation tissue.","Absorption":"very little systemic absorption. 15% of patients experienced complete healing within 8 weeks, while for 25% of patients, it was at 10 weeks. ","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00103","Name":"Agalsidase beta","DrugType":"biotech","HalfLife":"45-102 min","Description":"Recombinant human alpha-galactosidase A. The mature protein is composed of 2 subunits of 398 residues. Protein is glycosylated and produced by CHO cells","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of Fabry's disease (alpha-galactosidase A deficiency)","Toxicity":"","MechanismOfAction":"Alpha-galactosidase A catalyzes the hydrolysis of globotriaosylceramide (GL-3) and other a-galactyl-terminated neutral glycosphingolipids, such as galabiosylceramide and blood group B substances to ceramide dihexoside and galactose.","Pharmacodynamics":"Used in the treatment of Fabry disease, an X-linked genetic disorder of glycosphingolipid metabolism. The disease is characterized by a deficiency of the lysosomal enzyme alpha-galactosidase A, which leads to progressive accumulation of glycosphingolipids, predominantly GL-3, in many body tissues. Clinical manifestations of Fabry disease include renal failure, cardiomyopathy, and cerebrovascular accidents. Fabrazyme is intended to provide an exogenous source of alpha-galactosidase A and to limit the accumulation of these glycolipids in the tissues. Studies show unconclusive evidence for the clinical efficacy of either agalasidase alfa or agalasidase beta in preventing morbidity.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00104","Name":"Octreotide","DrugType":"small molecule","HalfLife":"","Description":"Octreotide is the acetate salt of a cyclic octapeptide. It is a long-acting octapeptide with pharmacologic properties mimicking those of the natural hormone somatostatin.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of acromegaly and reduction of side effects from cancer chemotherapy","Toxicity":"","MechanismOfAction":"Octreotide binds to somatostatin receptors. These receptors are coupled via pertussis toxin sensitive G proteins which lead to inhibition of adenylyl cyclase. Octreotide binding to these receptors also stimulates phosphotyrosine phosphatase and activation of the Na(+)/H(+) exchanger via pertussis toxin insensitive G proteins.","Pharmacodynamics":"Octreotide exerts pharmacologic actions similar to the natural hormone, somatostatin. It is an even more potent inhibitor of growth hormone, glucagon, and insulin than somatostatin. Like somatostatin, it also suppresses leuteinizing hormone (LH) response to GnRH, decreases splanchnic blood flow, and inhibits release of serotonin, gastrin, vasoactive intestinal peptide, secretin, motilin, and pancreatic polypeptide. Octreotide has been used to treat the symptoms associated with metastatic carcinoid tumors (flushing and diarrhea), and Vasoactive Intestinal Peptide (VIP) secreting adenomas (watery diarrhea). Octreotide substantially reduces and in many cases can normalize growth hormone and/or IGF-1 (somatomedin C) levels in patients with acromegaly.","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB00091"},{"ID":"DB01551"},{"ID":"DB00046"},{"ID":"DB06708"},{"ID":"DB01369"},{"ID":"DB00864"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000130","Name":"Octreotide acetate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00105","Name":"Interferon Alfa-2b, Recombinant","DrugType":"biotech","HalfLife":"The elimination half-life following both intramuscular and subcutaneous injections was approximately 2 to 3 hours. The elimination half-life was approximately 2 hours following intravenous injection.","Description":"Interferon alpha 2b (human leukocyte clone hif-sn 206 protein moiety reduced). A type I interferon consisting of 165 amino acid residues with arginine in position 23. This protein is produced by recombinant DNA technology and resembles interferon secreted by leukocytes. It is used extensively as an antiviral or antineoplastic agent.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of hairy cell leukemia, malignant melanoma, and AIDS-related Kaposi's sarcoma.","Toxicity":"There is limited experience with overdosage. Postmarketing surveillance includes reports of patients receiving a single dose as great as 10 times the recommended dose. In general, the primary effects of an overdose are consistent with the effects seen with therapeutic doses of interferon alfa-2b. Hepatic enzyme abnormalities, renal failure, hemorrhage, and myocardial infarction have been reported with single administration overdoses and/or with longer durations of treatment than prescribed. Toxic effects after ingestion of interferon alfa-2b are not expected because interferons are poorly absorbed orally.","MechanismOfAction":"Interferon alpha binds to type I interferon receptors (IFNAR1 and IFNAR2c) which upon dimerization activate two Jak (Janus kinase) tyrosine kinases (Jak1 and Tyk2). These transphosphorylate themselves and phosphorylate the receptors. The phosphorylated INFAR receptors then bind to Stat1 and Stat2 (signal transducers and activators of transcription)which dimerize and activate multiple (~100) immunomodulatory and antiviral proteins. Interferon alpha binds less stably to type I interferon receptors than interferon beta.","Pharmacodynamics":"Upregulates the expression of MHC I proteins, allowing for increased presentation of peptides derived from viral antigens. This enhances the activation of CD8+ T cells that are the precursors for cytotoxic T lymphocytes (CTLs) and makes the macrophage a better target for CTL-mediated killing. Interferon alpha also induce the synthesis of several key antiviral mediators, including 2'-5' oligoadenylate synthetase (2'-5' A synthetase) and protein kinase R.","Absorption":"Absorption is high (greater than 80%) when administered intramuscularly or subcutaneously.","Interactions":[{"ID":"DB01223"},{"ID":"DB00651"},{"ID":"DB01303"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00106","Name":"Abarelix","DrugType":"biotech","HalfLife":"13.2 \u0026plusmn; 3.2 days","Description":"Synthetic decapeptide antagonist to gonadotropin releasing hormone (GnRH). It is marketed by Praecis Pharmaceuticals as Plenaxis. Praecis announced in June 2006 that it was voluntarily withdrawing the drug from the market.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For palliative treatment of advanced prostate cancer.","Toxicity":"The maximum tolerated dose of abarelix has not been determined. The maximum dose used in clinical studies was 150 mg. There have been no reports of accidental overdose with abarelix.","MechanismOfAction":"Abarelix binds to the gonadotropin releasing hormone receptor and acts as a potent inhibitor of gonadotropin secretion.","Pharmacodynamics":"Used in the palliative treatment of advanced prostate cancer. Abarelix is a luteinizing hormone agonist that results in suppression of testicular or follicular steroidogenesis.","Absorption":"Following IM administration of 100 mg, abarelix is absorbed slowly with a mean peak concentration of 43.4 ng/mL observed approximately 3 days after the injection.","Interactions":[{"ID":"DB00864"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB00107","Name":"Oxytocin","DrugType":"biotech","HalfLife":"1-6 min, this is decreased in late pregnancy and during lactation.","Description":"Synthetic 9 residue cyclic peptide. The hormone is prepared synthetically to avoid possible contamination with vasopressin (ADH) and other small polypeptides with biologic activity.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used for labor induction, augmentation of labor, postpartum abbreviation of third stage of labor, postpartum control of uterine bleeding, termination of pregnancy and for the evaluation of fetal respiratory capability. Oxytocin cannot be used for elective induction of labor, there must be a clear medical requirement. ","Toxicity":"Oxytocin can produce a severe water intoxication due to its antidiuretic effect. Prolonged IV infusions of more 40milliunits/min are usually the cause. Severe water intoxication with convulsions, coma, and death can occur. Some neonatal seizures have also been reported. Consider potential for water intoxication, particularly when administered by IV infusion and patient is receiving oral fluids.\r\nUterine effects: High doses or hypersensitivity to oxytocin may cause uterine hypertonicity, spasm, tetanic contraction, or rupture of the uterus. There have also been reported allergic and anaphylactic reactions to oxytocin but they were rarely fatal. ","MechanismOfAction":"Uterine motility depends on the formation of the contractile protein actomyosin under the influence of the Ca2+-dependent phosphorylating enzyme myosin light-chain kinase. Oxytocin promotes contractions by increasing the intracellular Ca2+, which in turn activates myosin's light chain kinase.. Oxytocin has specific receptors in the muscle lining of the uterus and the receptor concentration increases greatly during pregnancy, reaching a maximum in early labor at term.","Pharmacodynamics":"Indirectly stimulates contraction of uterine smooth muscle by increasing the sodium permeability of uterine myofibrils. Increases contraction amplitude and frequency, which tends to decrease cervical activity, produce dilation and effacement of the cervix, and transiently impede uterine blood flow; contractions produced by oxytocin at term are similar to those occurring during spontaneous labor. High estrogen concentrations lower the threshold for uterine response to oxytocin. Uterine response increases with the duration of pregnancy and is greater in labor than when not in labor; only very large doses elicit contractions in early pregnancy. Contracts myoepithelial cells surrounding the alveoli of the breasts, forcing milk from the alveoli into the larger ducts and facilitating milk ejection. Minimal antidiuretic activity relative to vasopressin; water intoxication possible at high doses and/or excessive electrolyte-free fluid. ","Absorption":"Uterine response after IV administration is immediate and subsides after 1 hour. Uterine contractions occur 3-5mins after IM administration and decreases within 2-3 hours. When 100-200milliunits is administered IV, contractions of the myoepithelial tissue surrounding the alveoli of the breasts occur within minutes and last for about 20 mins. ","Interactions":[{"ID":"DB00429"},{"ID":"DB00917"},{"ID":"DB00668"},{"ID":"DB00834"},{"ID":"DB00929"},{"ID":"DB00388"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00108","Name":"Natalizumab","DrugType":"biotech","HalfLife":"11 ± 4 days","Description":"Humanized IgG4k monoclonal antibody produced in murine myeloma cells. Natalizumab contains human framework regions and the complementarity-determining regions of a murine antibody that binds to a4-integrin. Natalizumab was voluntarily withdrawn from U.S. market because of risk of Progressive multifocal leukoencephalopathy (PML). It was returned to market July, 2006.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of multiple sclerosis.","Toxicity":"","MechanismOfAction":"Binds to the \u0026alpha;4-subunit of \u0026alpha;4b 1 and \u0026alpha;4b 7 integrins expressed on the surface of all leukocytes except neutrophils, and inhibits the \u0026alpha;4-mediated adhesion of leukocytes to their counter-receptor(s).","Pharmacodynamics":"In multiple sclerosis, lesions are believed to occur when activated inflammatory cells, including T-lymphocytes, cross the blood-brain barrier (BBB). Leukocyte migration across the BBB involves interaction between adhesion molecules on inflammatory cells, and their counter-receptors present on endothelial cells of the vessel wall. The clinical effect of natalizumab in multiple sclerosis may be a secondary result of its blockade of the molecular interaction of a 4b 1-integrin expressed by inflammatory cells with VCAM-1 on vascular endothelial cells, and with CS-1 and/or osteopontin expressed by parenchymal cells in the brain. α4-integrin is required for white blood cells to move into organs, therefore, natalizumab prevents these immune cells from crossing blood vessel walls to reach affected organs thereby decreasing inflamation.","Absorption":"","Interactions":[{"ID":"DB01281"},{"ID":"DB05773"},{"ID":"DB00098"},{"ID":"DB06681"},{"ID":"DB08879"},{"ID":"DB00290"},{"ID":"DB08870"},{"ID":"DB06168"},{"ID":"DB00958"},{"ID":"DB00262"},{"ID":"DB08904"},{"ID":"DB00291"},{"ID":"DB00515"},{"ID":"DB00242"},{"ID":"DB00631"},{"ID":"DB00005"},{"ID":"DB00056"},{"ID":"DB05259"},{"ID":"DB06674"},{"ID":"DB04865"},{"ID":"DB00078"},{"ID":"DB00065"},{"ID":"DB08935"},{"ID":"DB00043"},{"ID":"DB01229"},{"ID":"DB00059"},{"ID":"DB00864"},{"ID":"DB00853"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB08880"},{"ID":"DB01041"},{"ID":"DB04572"},{"ID":"DB00352"},{"ID":"DB08895"},{"ID":"DB01030"},{"ID":"DB00081"},{"ID":"DB00072"},{"ID":"DB00755"},{"ID":"DB00385"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00109","Name":"Enfuvirtide","DrugType":"biotech","HalfLife":"3.8 +/- 0.6 hrs","Description":"36 residue synthetic peptide that inhibits HIV-1 fusion with CD4 cells. N-terminal acetylated, C-terminal amide.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Enfuvirtide is an antiretroviral drug used in combination therapy for the treatment of HIV-1/AIDS.","Toxicity":"","MechanismOfAction":"Enfuvirtide binds to the first heptad-repeat (HR1) in the gp41 subunit of the viral envelope glycoprotein and prevents the conformational changes required for the fusion of viral and cellular membranes. It works by disrupting the HIV-1 molecular machinery at the final stage of fusion with the target cell, preventing uninfected cells from becoming infected. Enfuvirtide is a biomimetic peptide that was rationally designed to mimic components of the HIV-1 fusion machinery and displace them, preventing normal fusion. \r\n\r\n","Pharmacodynamics":"","Absorption":"After a 90 mg single subcutaneous injection of Enfuvirtide into the abdomen in 12 HIV-1 infected subjects, the mean peak concentration is 4.59+/-1.5 ug/ml and the median time to peak concentration was 8 hours (ranged from 3 to12 hours).","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00110","Name":"Palivizumab","DrugType":"biotech","HalfLife":"18-20 days (in adults)","Description":"Humanized monoclonal antibody (IgG1k) produced by recombinant DNA technology, directed to an epitope in the A antigenic site of the F protein of respiratory syncytial virus (RSV). Synagis is a composite of human (95%) and murine (5%) antibody sequences. The human heavy chain sequence was derived from the constant domains of human IgG1 and the variable framework regions of the VH genes Cor (1) and Cess (2). The human lightchain sequence was derived from the constant domain of Ck and the variable framework regions of the VL gene K104 withJk-4. Palivizumab is expressed from a stable murine (mouse) myeloma cell line (NS0). Palivizumab is composed of to heavy chains (50.6 kDa each) and two light chains (27.6 kDa each), contains 1-2% carbohydrate by weight and has a molecular weight of 147.7 kDa +/- 1 kDa (MALDI-TOF)","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For prophylaxis of respiratory diseases casued by respiratory syncytial virus.","Toxicity":"","MechanismOfAction":"Palivizumab binds to the fusion glycoprotein of RSV. This prevents its binding and uptake by host cellular receptors.","Pharmacodynamics":"Synagis exhibits neutralizing and fusion-inhibitory activity against Respiratory syncytial virus (RSV). These activities inhibit RSV replication or spread. Synagis is given to prevent the development of lower respiratory tract disease in pediatric patients.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00111","Name":"Daclizumab","DrugType":"biotech","HalfLife":"11-38 days","Description":"Humanized IgG1 Mab that binds to the human interleukin-2 receptor (anti-Tac or anti-CD25). Daclizumab is a composite of human (90%) and murine (10%) antibody sequences. The human sequences were derived from the constant domains of human IgG1 and the variable framework regions of the Eu myeloma antibody. The murine sequences were derived from the complementarity-determining regions of a murine anti-Tac antibody.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Zenapax is a humanized monoclonal antibody used for prevention of renal transplant rejection","Toxicity":"","MechanismOfAction":"Zenepax binds with high-affinity to the Tac subunit of the high-affinity IL-2 receptor complex and inhibits IL-2 binding. The IL-2 receptor (Tac) subunit is expressed on activated but not resting lymphocytes.","Pharmacodynamics":"Zenapax functions as an IL-2 receptor antagonist. Specifically it inhibits IL-2-mediated activation of lymphocytes, a critical pathway in the cellular immune response involved in allograft rejection.","Absorption":"","Interactions":[{"ID":"DB06372"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00112","Name":"Bevacizumab","DrugType":"biotech","HalfLife":"approximately 20 days (range: 11–50 days)","Description":"A recombinant humanized monoclonal IgG1 antibody that binds to and inhibits the biologic activity of human vascular endothelial growth factor (VEGF). Bevacizumab contains human framework regions and the complementarity-determining regions of a murine antibody that binds to VEGF. Bevacizumab is produced in a Chinese Hamster Ovary mammalian cell expression system in a nutrient medium containing the antibiotic gentamicin and has a molecular weight of approximately 149 kilodaltons.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"As part of combination therapy for metastatic colorectal cancer and HER2-negative metastatic breast cancer.","Toxicity":"Category C in pregnancy. No studies on lactating patients: recommended to discontinue the drug or discontinue lactation. No extensive studies in pediatrics. In geriatrics: increased risk of proteinuria, arterial thromboembolic events, as well as GI bleeding and sepsis among others.","MechanismOfAction":"Bevacizumab contains human framework regions with antigen binding regions of a humanised murine antibody that binds to VEGF. Bevacizumab is produced by recombinant DNA technology in a Chinese hamster ovary mammalian cell expression system in a nutrient medium containing the antibiotic gentamicin and is purified by a process that includes specific viral inactivation and removal steps. Bevacizumab binds VEGF and prevents the interaction of VEGF to its receptors (Flt-1 and KDR) on the surface of endothelial cells. This prevents blood vessel proliferation and in response retardation of metastatic tumor growth occurs. ","Pharmacodynamics":"Bevacizumab is an antineoplastic agent and prevents or reduces the formation of blood vessels (angiogenesis) thereby preventing or reducing metatstatic disease progressing. Bevacizumab binds VEGF and prevents vascular endothelial growth and endothelial cell proliferation.","Absorption":"","Interactions":[{"ID":"DB08879"},{"ID":"DB00363"},{"ID":"DB00762"},{"ID":"DB00398"},{"ID":"DB01268"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00420","Drugs":["DB00112"]}]},{"ID":"DB00113","Name":"Arcitumomab","DrugType":"biotech","HalfLife":"Approximately 1 hour","Description":"Reduced Fab fragment of the murine IgG1 monoclonal antibody IMMU-4 (also called NP-4) with specificity for carcinoembryonic antigen (CEA) covalently labeled with Technitium 99. The molecule has a molecular weight of ~54,000 Daltons.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For imaging colorectal tumors","Toxicity":"","MechanismOfAction":"Binds selectively to cell-surface carcinoembryonic antigen (CEA) expressed on colorectal tumors.","Pharmacodynamics":"Binds to the carcinoembryonic antigen, which is a cell surface protein generally overexpressed in colon (and other) cancers. The radioactive Tc99, which is covalently attached to the antibody, allows radiodiagnostic detection of CEA expressing cells and tumors","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00114","Name":"Pyridoxal Phosphate","DrugType":"small molecule","HalfLife":"","Description":"This is the active form of vitamin B6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (pyridoxamine). [PubChem]","Classification":{"Description":"This compound belongs to the pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, an hydroxyl group, a carbaldehyde group, and an hydroxymethyl group, respectively.","DirectParent":"Pyridoxals and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridine Carboxaldehydes"},"Indication":"For nutritional supplementation and for treating dietary shortage or imbalance.","Toxicity":"","MechanismOfAction":"Pyridoxal Phosphate is a coenzyme of many enzymatic reactions. It is the active form of vitamin B6 which comprises three natural organic compounds, pyridoxal, pyridoxamine and pyridoxine. Pyridoxal phosphate acts as a coenzyme in all transamination reactions, and in some decarboxylation and deamination reactions of amino acids. The aldehyde group of pyridoxal phosphate forms a Schiff-base linkage with the epsilon-amino group of a specific lysine group of the aminotransferase enzyme. The alpha-amino group of the amino acid substrate displaces the epsilon-amino group of the active-site lysine residue. The resulting aldimine becomes deprotonated to become a quinoid intermediate, which in turn accepts a proton at a different position to become a ketimine. The resulting ketimine is hydrolysed so that the amino group remains on the protein complex.","Pharmacodynamics":"The two major forms of vitamin B6 are pyridoxine and pyridoxamine. In the liver they are converted to pyridoxal phosphate (PLP) which is a cofactor in many reactions of amino acid metabolism. PLP also is necessary for the enzymatic reaction governing the release of glucose from glycogen. Pyroluria is one potential cause of vitamin B6 deficiency.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB00115","Name":"Cyanocobalamin","DrugType":"small molecule","HalfLife":"Approximately 6 days (400 days in the liver).","Description":"Cyanocobalamin (commonly known as Vitamin B12) is the most chemically complex of all the vitamins. Cyanocobalamin's structure is based on a corrin ring, which, although similar to the porphyrin ring found in heme, chlorophyll, and cytochrome, has two of the pyrrole rings directly bonded. The central metal ion is Co (cobalt). Cyanocobalamin cannot be made by plants or by animals, as the only type of organisms that have the enzymes required for the synthesis of cyanocobalamin are bacteria and archaea. Higher plants do not concentrate cyanocobalamin from the soil and so are a poor source of the substance as compared with animal tissues. Cyanocobalamin is naturally found in foods including meat (especially liver and shellfish), eggs, and milk products. [HMDB]","Classification":{"Description":"This compound belongs to the cobalamin derivatives. These are organic compounds containing a corrin ring, a cobalt atom, an a nucleotide moiety. Cobalamin Derivatives are actually derived from vitamin B12.","DirectParent":"Cobalamin Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Corrinoids"},"Indication":"For treatment of pernicious anemia (due to lack of or inhibition of intrinsic factor) and for prevention and treatment of vitamin B 12 deficiency.","Toxicity":"Anaphylactic reaction (skin rash, itching, wheezing)-after parenteral administration. ORL-MUS LD\u003csub\u003e50\u003c/sub\u003e \u003e 8000 mg/kg","MechanismOfAction":"Vitamin B12 is used in the body in two forms: Methylcobalamin and 5-deoxyadenosyl cobalamin. The enzyme methionine synthase needs methylcobalamin as a cofactor. This enzyme is involved in the conversion of the amino acid homocysteine into methionine. Methionine in turn is required for DNA methylation. 5-Deoxyadenosyl cobalamin is a cofactor needed by the enzyme that converts L-methylmalonyl-CoA to succinyl-CoA. This conversion is an important step in the extraction of energy from proteins and fats. Furthermore, succinyl CoA is necessary for the production of hemoglobin, the substances that carries oxygen in red blood cells.","Pharmacodynamics":"Cyanocobalamin (Vitamin B12) is a water-soluble organometallic compound with a trivalent cobalt ion bound inside a corrin ring. It is needed for nerve cells and red blood cells, and to make DNA. Vitamin B12 deficiency is the cause of several forms of anemia.","Absorption":"Readily absorbed in the lower half of the ileum.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00116","Name":"Tetrahydrofolic acid","DrugType":"small molecule","HalfLife":"","Description":"Tetrahydrofolic acid is a folic acid derivative. It is produced from dihydrofolic acid by dihydrofolate reductase.\r\nIt is converted into 5,10-methylenetetrahydrofolate by serine hydroxymethyltransferase. It is a coenzyme in many reactions, especially in the metabolism of amino acids and nucleic acids. It acts as a donor of a group with one carbon atom. It gets this carbon atom by sequestering formaldehyde produced in other processes.","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance.","Toxicity":"","MechanismOfAction":"Tetrahydrofolate is transported across cells by receptor-mediated endocytosis where it is needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids, methylate tRNA, and generate and use formate.","Pharmacodynamics":"Tetrahydrofolate is the main active metabolite of dietary folate. It is vital as a coenzyme in reactions involving transfers of single carbon groups. Tetrahydrofolate has a role in nucleic and amino acid synthesis. As nucleic and amino acid synthesis is affected by a deficiency of tetrahydrofolate, actively dividing and growing cells tend to be the first affected. Tetrahydrofolate is used to treat topical sprue and megaloblastic and macrocytic anemias, hematologic complications resulting from a deficiency in folic acid.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00543","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00053","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00724","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00123","Drugs":["DB00116","DB00118","DB00134","DB00640","DB01345","DB01593"]},{"ID":"SMP00432","Drugs":["DB00116","DB00142","DB00158","DB00563","DB00650","DB01373"]},{"ID":"SMP00044","Drugs":["DB00116","DB00117","DB00118","DB00142","DB01373","DB01593","DB01971","DB03107"]},{"ID":"SMP00191","Drugs":["DB00116","DB00117","DB00118","DB00142","DB01373","DB01593","DB01971","DB03107"]},{"ID":"SMP00242","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00340","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00570","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00009","Drugs":["DB00116","DB00117","DB00119","DB00121","DB00128","DB00130","DB00133","DB00142","DB00145","DB01971"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00484","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00221","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00721","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB00117","Name":"L-Histidine","DrugType":"small molecule","HalfLife":"","Description":"An essential amino acid that is required for the production of histamine. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"The actions of supplemental L-histidine are entirely unclear. It may have some immunomodulatory as well as antioxidant activity. L-histidine may be indicated for use in some with rheumatoid arthritis. It is not indicated for treatment of anemia or uremia or for lowering serum cholesterol.","Toxicity":"ORL-RAT LD\u003csub\u003e50\u003c/sub\u003e \u003e 15000 mg/kg, IPR-RAT LD\u003csub\u003e50\u003c/sub\u003e \u003e 8000 mg/kg, ORL-MUS LD\u003csub\u003e50\u003c/sub\u003e \u003e 15000 mg/kg, IVN-MUS LD\u003csub\u003e50\u003c/sub\u003e \u003e 2000 mg/kg; Mild gastrointestinal side effects.","MechanismOfAction":"Since the actions of supplemental L-histidine are unclear, any postulated mechanism is entirely speculative. However, some facts are known about L-histidine and some of its metabolites, such as histamine and trans-urocanic acid, which suggest that supplemental L-histidine may one day be shown to have immunomodulatory and/or antioxidant activities. Low free histidine has been found in the serum of some rheumatoid arthritis patients. Serum concentrations of other amino acids have been found to be normal in these patients. L-histidine is an excellent chelating agent for such metals as copper, iron and zinc. Copper and iron participate in a reaction (Fenton reaction) that generates potent reactive oxygen species that could be destructive to tissues, including joints. \u003cbr/\u003eL-histidine is the obligate precursor of histamine, which is produced via the decarboxylation of the amino acid. In experimental animals, tissue histamine levels increase as the amount of dietary L-histidine increases. It is likely that this would be the case in humans as well. Histamine is known to possess immunomodulatory and antioxidant activity. Suppressor T cells have H2 receptors, and histamine activates them. Promotion of suppressor T cell activity could be beneficial in rheumatoid arthritis. Further, histamine has been shown to down-regulate the production of reactive oxygen species in phagocytic cells, such as monocytes, by binding to the H2 receptors on these cells. Decreased reactive oxygen species production by phagocytes could play antioxidant, anti-inflammatory and immunomodulatory roles in such diseases as rheumatoid arthritis. \u003cbr/\u003eThis latter mechanism is the rationale for the use of histamine itself in several clinical trials studying histamine for the treatment of certain types of cancer and viral diseases. In these trials, down-regulation by histamine of reactive oxygen species formation appears to inhibit the suppression of natural killer (NK) cells and cytotoxic T lymphocytes, allowing these cells to be more effective in attacking cancer cells and virally infected cells.","Pharmacodynamics":"Is found abundantly in hemoglobin; has been used in the treatment of rheumatoid arthritis, allergic diseases, ulcers and anemia. A deficiency can cause poor hearing.","Absorption":"Absorbed from the small intestine via an active transport mechanism requiring the presence of sodium.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00715","Drugs":["DB00117","DB00118"]},{"ID":"SMP00007","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00044","Drugs":["DB00116","DB00117","DB00118","DB00142","DB01373","DB01593","DB01971","DB03107"]},{"ID":"SMP00191","Drugs":["DB00116","DB00117","DB00118","DB00142","DB01373","DB01593","DB01971","DB03107"]},{"ID":"SMP00351","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00493","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00492","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00009","Drugs":["DB00116","DB00117","DB00119","DB00121","DB00128","DB00130","DB00133","DB00142","DB00145","DB01971"]},{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]},{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]},{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]},{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]},{"ID":"SMP00249","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01190","DB01972","DB02431","DB03685"]},{"ID":"SMP00256","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00994","DB01972","DB02431","DB03685"]},{"ID":"SMP00291","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00254","DB01972","DB02431","DB03685"]},{"ID":"SMP00293","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00595","DB01972","DB02431","DB03685"]},{"ID":"SMP00711","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00684","DB01972","DB02431","DB03685"]},{"ID":"SMP00713","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01972","DB02431","DB03685","DB06696"]},{"ID":"SMP00726","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01301","DB01972","DB02431","DB03685"]},{"ID":"SMP00731","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01321","DB01972","DB02431","DB03685"]},{"ID":"SMP00262","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00453","DB01972","DB02431","DB03685"]},{"ID":"SMP00248","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01211","DB01972","DB02431","DB03685"]},{"ID":"SMP00255","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01172","DB01972","DB02431","DB03685"]},{"ID":"SMP00290","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00618","DB01972","DB02431","DB03685"]},{"ID":"SMP00292","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01017","DB01972","DB02431","DB03685"]},{"ID":"SMP00730","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01361","DB01972","DB02431","DB03685"]},{"ID":"SMP00251","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00778","DB01972","DB02431","DB03685"]},{"ID":"SMP00253","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00479","DB01972","DB02431","DB03685"]},{"ID":"SMP00258","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00919","DB01972","DB02431","DB03685"]},{"ID":"SMP00295","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00256","DB01972","DB02431","DB03685"]},{"ID":"SMP00728","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01627","DB01972","DB02431","DB03685"]},{"ID":"SMP00250","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00199","DB01972","DB02431","DB03685"]},{"ID":"SMP00252","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00976","DB01972","DB02431","DB03685"]},{"ID":"SMP00257","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00955","DB01972","DB02431","DB03685"]},{"ID":"SMP00294","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00759","DB01972","DB02431","DB03685"]},{"ID":"SMP00712","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00560","DB01972","DB02431","DB03685"]},{"ID":"SMP00714","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01421","DB01972","DB02431","DB03685"]},{"ID":"SMP00727","Drugs":["DB00117","DB00134","DB00156","DB00160","DB001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molecule","HalfLife":"","Description":"Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. (From Merck, 11th ed)","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"S-Adenosylmethionine (SAMe) is used as a drug in Europe for the treatment of depression, liver disorders, fibromyalgia, and osteoarthritis. It has also been introduced into the United States market as a dietary supplement for the support of bone and joint health, as well as mood and emotional well being.","Toxicity":"Irritating to mucus membranes and upper respiratory tract. Can cause CNS depression.","MechanismOfAction":"S-Adenosylmethionine (SAMe) is a natural substance present in the cells of the body. It is a direct metabolite of the essential amino acid L-methionine. SAMe plays a crucial biochemical role in the body by donating a one-carbon methyl group in a process called transmethylation. SAMe, formed from the reaction of L-methionine and adenosine triphosphate catalyzed by the enzyme S-adenosylmethionine synthetase, is the methyl-group donor in the biosynthesis of both DNA and RNA nucleic acids, phospholipids, proteins, epinephrine, melatonin, creatine and other molecules.","Pharmacodynamics":"S-adenosylmethionine is an intermediate metabolite of methionine. Its involvement in methylation assists in cellular growth and repair, maintains the phospho-bilipid layer in cell membranes. It also helps in the maintenance of the action of several hormones and neurotransmitters that affect mood. Highest concentration are found in the brain and the liver.","Absorption":"S-Adenosylmethionine is absorbed from the small intestine following oral intake. As absorption is affected by food, it is best to take on an empty stomach. Bioavailability is low following oral intake.","Interactions":[{"ID":"DB06700"},{"ID":"DB01381"},{"ID":"DB01009"},{"ID":"DB00605"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00682"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000873","Name":"S-Adenosylmethionine butanedisulfonate"},{"ID":"DBSALT000875","Name":"S-Adenosylmethionine disulfate ditosylate"},{"ID":"DBSALT000876","Name":"S-Adenosylmethionine disulfate monotosylate"},{"ID":"DBSALT000874","Name":"S-Adenosylmethionine disulfate tosylate"},{"ID":"DBSALT000872","Name":"S-Adenosylmethionine tosylate"}],"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00065","Drugs":["DB00118"]},{"ID":"SMP00715","Drugs":["DB00117","DB00118"]},{"ID":"SMP00609","Drugs":["DB00118","DB00130","DB01033","DB01345"]},{"ID":"SMP00327","Drugs":["DB00118","DB00252","DB01345","DB01373","DB03435"]},{"ID":"SMP00048","Drugs":["DB00118","DB00130","DB00142","DB00627","DB02701"]},{"ID":"SMP00445","Drugs":["DB00118","DB00127","DB00129","DB00134","DB01345","DB01917","DB03566"]},{"ID":"SMP00465","Drugs":["DB00118","DB00126","DB00139","DB00145","DB00583","DB01592"]},{"ID":"SMP00123","Drugs":["DB00116","DB00118","DB00134","DB00640","DB01345","DB01593"]},{"ID":"SMP00170","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00012","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00044","Drugs":["DB00116","DB00117","DB00118","DB00142","DB01373","DB01593","DB01971","DB03107"]},{"ID":"SMP00063","Drugs":["DB00118","DB00142","DB00150","DB00160","DB01065","DB01592","DB02959","DB03644"]},{"ID":"SMP00191","Drugs":["DB00116","DB00117","DB00118","DB00142","DB01373","DB01593","DB01971","DB03107"]},{"ID":"SMP00497","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00484","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00360","Drugs":["DB00118","DB0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acid","DrugType":"small molecule","HalfLife":"","Description":"An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed)","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"Those taking large doses of supplemental pyruvate\u0026mdash;usually greater than 5 grams daily\u0026mdash;have reported gastrointestinal symptoms, including abdominal discomfort and bloating, gas and diarrhea. One child receiving pyruvate intravenously for restrictive cardiomyopathy died.","MechanismOfAction":"Pyruvate serves as a biological fuel by being converted to acetyl coenzyme A, which enters the tricarboxylic acid or Krebs cycle where it is metabolized to produce ATP aerobically. Energy can also be obtained anaerobically from pyruvate via its conversion to lactate. Pyruvate injections or perfusions increase contractile function of hearts when metabolizing glucose or fatty acids. This inotropic effect is striking in hearts stunned by ischemia/reperfusion. The inotropic effect of pyruvate requires intracoronary infusion. Among possible mechanisms for this effect are increased generation of ATP and an increase in ATP phosphorylation potential. Another is activation of pyruvate dehydrogenase, promoting its own oxidation by inhibiting pyruvate dehydrogenase kinase. Pyruvate dehydrogenase is inactivated in ischemia myocardium. Yet another is reduction of cytosolic inorganic phosphate concentration. Pyruvate, as an antioxidant, is known to scavenge such reactive oxygen species as hydrogen peroxide and lipid peroxides. Indirectly, supraphysiological levels of pyruvate may increase cellular reduced glutathione.","Pharmacodynamics":"Pyruvic acid or pyruvate is a key intermediate in the glycolytic and pyruvate dehydrogenase pathways, which are involved in biological energy production. Pyruvate is widely found in living organisms. It is not an essential nutrient since it can be synthesized in the cells of the body. Certain fruits and vegetables are rich in pyruvate. For example, an average-size red apple contains approximately 450 milligrams. Dark beer and red wine are also rich sources of pyruvate. Recent research suggests that pyruvate in high concentrations may have a role in cardiovascular therapy, as an inotropic agent. Supplements of this dietary substance may also have bariatric and ergogenic applications.","Absorption":"Pyruvate is absorbed from the gastrointestinal tract from whence it is transported to the liver via the portal circulation.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00459","Drugs":["DB00119","DB00143","DB01593","DB03066"]},{"ID":"SMP00127","Drugs":["DB00119","DB00142","DB00160"]},{"ID":"SMP00466","Drugs":["DB00119","DB00121","DB04272"]},{"ID":"SMP00040","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00499","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00581","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00531","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00550","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00562","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00013","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00128","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00549","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00573","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00547","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00057","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00548","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00560","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00572","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00574","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00722","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00374","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00546","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00551","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00563","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00196","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00352","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00055","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00217","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00313","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00390","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00060","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00240","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00212","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00559","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00045","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00334","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00350","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00534","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00216","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00558","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00002","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00385","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00003","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00243","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00357","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677"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molecule","HalfLife":"","Description":"An essential aromatic amino acid that is a precursor of melanin; dopamine; noradrenalin (norepinephrine), and thyroxine. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"L-phenylalanine may be helpful in some with depression. It may also be useful in the treatment of vitiligo. There is some evidence that L-phenylalanine may exacerbate tardive dyskinesia in some schizophrenic patients and in some who have used neuroleptic drugs.","Toxicity":"L-phenylalanine will exacerbate symptoms of phenylketonuria if used by phenylketonurics. L-phenylalanine was reported to exacerbate tardive dyskinesia when used by some with schizophrenia.","MechanismOfAction":"The mechanism of L-phenylalanine's putative antidepressant activity may be accounted for by its precursor role in the synthesis of the neurotransmitters norepinephrine and dopamine. Elevated brain norepinephrine and dopamine levels are thought to be associated with antidepressant effects. \u003cbr/\u003eThe mechanism of L-phenylalanine's possible antivitiligo activity is not well understood. It is thought that L-phenylalanine may stimulate the production of melanin in the affected skin","Pharmacodynamics":"Used by the brain to produce Norepinephrine, a chemical that transmits signals between nerve cells and the brain; keeps you awake and alert; reduces hunger pains; functions as an antidepressant and helps improve memory.","Absorption":"Absorbed from the small intestine by a sodium dependent active transport process.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00369","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00008","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00370","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00206","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]}]},{"ID":"DB00121","Name":"Biotin","DrugType":"small molecule","HalfLife":"","Description":"A water-soluble, enzyme co-factor present in minute amounts in every living cell. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk. [PubChem]","Classification":{"Description":"This compound belongs to the biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.","DirectParent":"Biotin and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Biotin and Derivatives","SubClass":""},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance.","Toxicity":"Prolonged skin contact may cause irritation.","MechanismOfAction":"Biotin is necessary for the proper functioning of enzymes that transport carboxyl units and fix carbon dioxide, and is required for various metabolic functions, including gluconeogenesis, lipogenesis, fatty acid biosynthesis, propionate metabolism, and catabolism of branched-chain amino acids.","Pharmacodynamics":"Biotin is a water-soluble B-complex vitamin which is composed of an ureido ring fused with a tetrahydrothiophene ring. A valeric acid substituent is attached to one of the carbon atoms of the tetrahydrothiophene ring. Biotin is used in cell growth, the production of fatty acids, metabolism of fats, and amino acids. It plays a role in the Kreb cycle, which is the process in which energy is released from food. Biotin not only assists in various metabolic chemical conversions, but also helps with the transfer of carbon dioxide. Biotin is also helpful in maintaining a steady blood sugar level. Biotin is often recommended for strengthening hair and nails. Consequenty, it is found in many cosmetic and health products for the hair and skin. Biotin deficiency is a rare nutritional disorder caused by a deficiency of biotin. Initial symptoms of biotin deficiency include: Dry skin, Seborrheic dermatitis, Fungal infections, rashes including erythematous periorofacial macular rash, fine and brittle hair, and hair loss or total alopecia. If left untreated, neurological symptoms can develop, including mild depression, which may progress to profound lassitude and, eventually, to somnolence; changes in mental status, generalized muscular pains (myalgias), hyperesthesias and paresthesias. The treatment for biotin deficiency is to simply start taking some biotin supplements. A lack of biotin in infants will lead to a condition called seborrheic dermatitis or \"cradle cap\". Biotin deficiencies are extremely rare in adults but if it does occur, it will lead to anemia, depression, hair loss, high blood sugar levels, muscle pain, nausea, loss of appetite and inflamed mucous membranes.","Absorption":"Systemic - approximately 50%","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00174","Drugs":["DB00121"]},{"ID":"SMP00564","Drugs":["DB00121"]},{"ID":"SMP00066","Drugs":["DB00121"]},{"ID":"SMP00466","Drugs":["DB00119","DB00121","DB04272"]},{"ID":"SMP00452","Drugs":["DB00121","DB00156","DB04553"]},{"ID":"SMP00547","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00581","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00550","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00562","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00128","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00201","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00549","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00573","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00057","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00016","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00198","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00502","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00548","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00560","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00574","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00060","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00456","Drugs":["DB00121","DB02175","DB03166","DB03568","DB03600","DB04519","DB04524"]},{"ID":"SMP00137","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00139","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00212","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00559","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00374","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00546","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00551","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00563","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00196","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00199","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00200","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00352","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00523","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00055","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00032","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00384","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00313","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00138","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00522","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00140","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00141","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00236","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00521","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00524","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00173","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00237","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00238","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00334","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00350","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00558","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066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molecule","HalfLife":"","Description":"A basic constituent of lecithin that is found in many plants and animal organs. It is important as a precursor of acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism. [PubChem]","Classification":{"Description":"This compound belongs to the cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.","DirectParent":"Cholines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Cholines"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"Oral rat LD\u003csub\u003e50\u003c/sub\u003e: 3400 mg/kg","MechanismOfAction":"Choline is a major part of the polar head group of phosphatidylcholine. Phosphatidylcholine's role in the maintenance of cell membrane integrity is vital to all of the basic biological processes: information flow, intracellular communication and bioenergetics. Inadequate choline intake would negatively affect all these processes. Choline is also a major part of another membrane phospholipid, sphingomyelin, also important for the maintenance of cell structure and function. It is noteworthy and not surprising that choline deficiency in cell culture causes apoptosis or programmed cell death. This appears to be due to abnormalities in cell membrane phosphatidylcholine content and an increase in ceramide, a precursor, as well as a metabolite, of sphingomyelin. Ceramide accumulation, which is caused by choline deficiency, appears to activate Caspase, a type of enzyme that mediates apoptosis. Betaine or trimethylglycine is derived from choline via an oxidation reaction. Betaine is one of the factors that maintains low levels of homocysteine by resynthesizing L-methionine from homocysteine. Elevated homocysteine levels are a significant risk factor for atherosclerosis, as well as other cardiovascular and neurological disorders. Acetylcholine is one of the major neurotransmitters and requires choline for its synthesis. Adequate acetylcholine levels in the brain are believed to be protective against certain types of dementia, including Alzheimer's disease.","Pharmacodynamics":"This compound is needed for good nerve conduction throughout the CNS (central nervous system) as it is a precursor to acetylcholine (ACh). Choline is also needed for gallbladder regulation, liver function and lecithin (a key lipid) formation. Choline also aids in fat and cholesterol metabolism and prevents excessive fat build up in the liver. Choline has been used to mitigate the effects of Parkinsonism and tardive dyskinesia. Choline deficiencies may result in excessive build-up of fat in the liver, high blood pressure, gastric ulcers, kidney and liver dysfunction and stunted growth.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00123","Name":"L-Lysine","DrugType":"small molecule","HalfLife":"","Description":"L-Lysine (abbreviated as Lys or K) is an α-amino acid with the chemical formula HO2CCH(NH2)(CH2)4NH2. This amino acid is an essential amino acid, which means that humans cannot synthesize it. Its codons are AAA and AAG.\r\n\r\nL-Lysine is a base, as are arginine and histidine. The ε-amino group often participates in hydrogen bonding and as a general base in catalysis. Common posttranslational modifications include methylation of the ε-amino group, giving methyl-, dimethyl-, and trimethyllysine. The latter occurs in calmodulin. Other posttranslational modifications include acetylation. Collagen contains hydroxylysine which is derived from lysine by lysyl hydroxylase. O-Glycosylation of lysine residues in the endoplasmic reticulum or Golgi apparatus is used to mark certain proteins for secretion from the cell.","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Supplemental L-lysine has putative anti-herpes simplex virus activity. There is preliminary research suggesting that it may have some anti-osteoporotic activity.","Toxicity":"","MechanismOfAction":"Proteins of the herpes simplex virus are rich in L-arginine, and tissue culture studies indicate an enhancing effect on viral replication when the amino acid ratio of L-arginine to L-lysine is high in the tissue culture media. When the ratio of L-lysine to L-arginine is high, viral replication and the cytopathogenicity of herpes simplex virus have been found to be inhibited. L-lysine may facilitate the absorption of calcium from the small intestine.","Pharmacodynamics":"Insures the adequate absorption of calcium; helps form collagen ( which makes up bone cartilage \u0026amp; connective tissues); aids in the production of antibodies, hormones \u0026amp; enzymes. Recent studies have shown that Lysine may be effective against herpes by improving the balance of nutrients that reduce viral growth. A deficiency may result in tiredness, inability to concentrate, irritability, bloodshot eyes, retarded growth, hair loss, anemia \u0026amp; reproductive problems.","Absorption":"Absorbed from the lumen of the small intestine into the enterocytes by an active transport process","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00125","Name":"L-Arginine","DrugType":"small molecule","HalfLife":"","Description":"An essential amino acid that is physiologically active in the L-form. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used for nutritional supplementation, also for treating dietary shortage or imbalance.","Toxicity":"Oral supplementation with L-arginine at doses up to 15 grams daily are generally well tolerated. The most common adverse reactions of higher doses from 15 to 30 grams daily are nausea, abdominal cramps and diarrhea. Some may experience these symptoms at lower doses.","MechanismOfAction":"Many of supplemental L-arginine's activities, including its possible anti-atherogenic actions, may be accounted for by its role as the precursor to nitric oxide or NO. NO is produced by all tissues of the body and plays very important roles in the cardiovascular system, immune system and nervous system. NO is formed from L-arginine via the enzyme nitric oxide synthase or synthetase (NOS), and the effects of NO are mainly mediated by 3,'5' -cyclic guanylate or cyclic GMP. NO activates the enzyme guanylate cyclase, which catalyzes the synthesis of cyclic GMP from guanosine triphosphate or GTP. Cyclic GMP is converted to guanylic acid via the enzyme cyclic GMP phosphodiesterase. NOS is a heme-containing enzyme with some sequences similar to cytochrome P-450 reductase. Several isoforms of NOS exist, two of which are constitutive and one of which is inducible by immunological stimuli. The constitutive NOS found in the vascular endothelium is designated eNOS and that present in the brain, spinal cord and peripheral nervous system is designated nNOS. The form of NOS induced by immunological or inflammatory stimuli is known as iNOS. iNOS may be expressed constitutively in select tissues such as lung epithelium. All the nitric oxide synthases use NADPH (reduced nicotinamide adenine dinucleotide phosphate) and oxygen (O2) as cosubstrates, as well as the cofactors FAD (flavin adenine dinucleotide), FMN (flavin mononucleotide), tetrahydrobiopterin and heme. Interestingly, ascorbic acid appears to enhance NOS activity by increasing intracellular tetrahydrobiopterin. eNOS and nNOS synthesize NO in response to an increased concentration of calcium ions or in some cases in response to calcium-independent stimuli, such as shear stress. In vitro studies of NOS indicate that the Km of the enzyme for L-arginine is in the micromolar range. The concentration of L-arginine in endothelial cells, as well as in other cells, and in plasma is in the millimolar range. What this means is that, under physiological conditions, NOS is saturated with its L-arginine substrate. In other words, L-arginine would not be expected to be rate-limiting for the enzyme, and it would not appear that supraphysiological levels of L-arginine which could occur with oral supplementation of the amino acid^would make any difference with regard to NO production. The reaction would appear to have reached its maximum level. However, in vivo studies have demonstrated that, under certain conditions, e.g. hypercholesterolemia, supplemental L-arginine could enhance endothelial-dependent vasodilation and NO production.","Pharmacodynamics":"Studies have shown that is has improved immune responses to bacteria, viruses and tumor cells; promotes wound healing and regeneration of the liver; causes the release of growth hormones; considered crucial for optimal muscle growth and tissue repair.","Absorption":"Absorbed from the lumen of the small intestine into the enterocytes. Absorption is efficient and occurs by an active transport mechanism.","Interactions":null,"Salts":[{"ID":"DBSALT000869","Name":"L-Arginine Hydrochloride"}],"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00126","Name":"Vitamin C","DrugType":"small molecule","HalfLife":"16 days (3.4 hours in people who have excess levels of vitamin C)","Description":"A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant. [PubChem]","Classification":{"Description":"This compound belongs to the butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.","DirectParent":"Butenolides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dihydrofurans","SubClass":"Furanones"},"Indication":"Used to treat vitamin C deficiency, scurvy, delayed wound and bone healing, urine acidification, and in general as an antioxidant. It has also been suggested to be an effective antiviral agent.","Toxicity":"","MechanismOfAction":"In humans, an exogenous source of ascorbic acid is required for collagen formation and tissue repair by acting as a cofactor in the posttranslational formation of 4-hydroxyproline in -Xaa-Pro-Gly- sequences in collagens and other proteins. Ascorbic acid is reversibly oxidized to dehydroascorbic acid in the body. These two forms of the vitamin are believed to be important in oxidation-reduction reactions. The vitamin is involved in tyrosine metabolism, conversion of folic acid to folinic acid, carbohydrate metabolism, synthesis of lipids and proteins, iron metabolism, resistance to infections, and cellular respiration.","Pharmacodynamics":"Ascorbic Acid (vitamin C) is a water-soluble vitamin indicated for the prevention and treatment of scurvy, as ascorbic acid deficiency results in scurvy. Collagenous structures are primarily affected, and lesions develop in bones and blood vessels. Administration of ascorbic acid completely reverses the symptoms of ascorbic acid deficiency.","Absorption":"70% to 90%","Interactions":[{"ID":"DB00746"},{"ID":"DB00224"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00450","Drugs":["DB00126","DB00139","DB01592"]},{"ID":"SMP00451","Drugs":["DB00126","DB00139","DB01592"]},{"ID":"SMP00030","Drugs":["DB00126","DB00139","DB00583","DB01592"]},{"ID":"SMP00465","Drugs":["DB00118","DB00126","DB00139","DB00145","DB00583","DB01592"]},{"ID":"SMP00012","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00497","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00170","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB00127","Name":"Spermine","DrugType":"small molecule","HalfLife":"","Description":"A biogenic polyamine formed from spermidine. It is found in a wide variety of organisms and tissues and is an essential growth factor in some bacteria. It is found as a polycation at all pH values. Spermine is associated with nucleic acids, particularly in viruses, and is thought to stabilize the helical structure. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"","MechanismOfAction":"Spermine is derived from spermidine by spermine synthase. Spermine is a polyamine, a small organic cations that is absolutely required for eukaryotic cell growth. Spermine, is normally found in millimolar concentrations in the nucleus. Spermine functions directly as a free radical scavenger, and forms a variety of adducts that prevent oxidative damage to DNA. Oxidative damage to DNA by reactive oxygen species is a continual problem that cells must guard against to survive. Hence, spermine is a major natural intracellular compound capable of protecting DNA from free radical attack. Spermine is also implicated in the regulation of gene expression, the stabilization of chromatin, and the prevention of endonuclease-mediated DNA fragmentation.","Pharmacodynamics":"Spermine is a polyamine. It is an organic molecule that is involved in cellular metabolism.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000870","Name":"Spermine dihydrate"}],"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00445","Drugs":["DB00118","DB00127","DB00129","DB00134","DB01345","DB01917","DB03566"]}]},{"ID":"DB00128","Name":"L-Aspartic Acid","DrugType":"small molecule","HalfLife":"","Description":"One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"There is no support for the claim that aspartates are exercise performance enhancers, i.e. ergogenic aids.","Toxicity":"Mild gastrointestinal side effects including diarrhea. LD\u003csub\u003e50\u003c/sub\u003e (rat) \u003e 5,000 mg/kg.","MechanismOfAction":"There are also claims that L-aspartate has ergogenic effects, that it enhances performance in both prolonged exercise and short intensive exercise. It is hypothesized that L-aspartate, especially the potassium magnesium aspartate salt, spares stores of muscle glycogen and/or promotes a faster rate of glycogen resynthesis during exercise. It has also been hypothesized that L-aspartate can enhance short intensive exercise by serving as a substrate for energy production in the Krebs cycle and for stimulating the purine nucleotide cycle.","Pharmacodynamics":"L-aspartate is considered a non-essential amino acid, meaning that, under normal physiological conditions, sufficient amounts of the amino acid are synthesized in the body to meet the body's requirements. L-aspartate is formed by the transamination of the Krebs cycle intermediate oxaloacetate. The amino acid serves as a precursor for synthesis of proteins, oligopeptides, purines, pyrimidines, nucleic acids and L-arginine. L-aspartate is a glycogenic amino acid, and it can also promote energy production via its metabolism in the Krebs cycle. These latter activities were the rationale for the claim that supplemental aspartate has an anti-fatigue effect on skeletal muscle, a claim that was never confirmed.","Absorption":"Absorbed from the small intestine by an active transport process","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00129","Drugs":["DB00128","DB00142","DB01373"]},{"ID":"SMP00175","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00192","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00067","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00492","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00007","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00351","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00493","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00567","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00243","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00357","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00002","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00385","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00003","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00009","Drugs":["DB00116","DB00117","DB00119","DB00121","DB00128","DB00130","DB00133","DB00142","DB00145","DB01971"]},{"ID":"SMP00059","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00360","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00205","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00072","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00020","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00001","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373",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molecule","HalfLife":"","Description":"Ornithine is an amino acid produced in the urea cycle by the splitting off of urea from arginine. It is a central part of the urea cycle, which allows for the disposal of excess nitrogen. L-Ornithine is a precursor of citrulline and arginine.","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used for nutritional supplementation, also for treating dietary shortage or imbalance. It has been claimed that ornithine improves athletic performance, has anabolic effects, has wound-healing effects, and is immuno-enhancing.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e = 10000 mg/kg","MechanismOfAction":"L-Ornithine is metabolised to L-arginine. L-arginine stimulates the pituitary release of growth hormone. Burns or other injuries affect the state of L-arginine in tissues throughout the body. As De novo synthesis of L-arginine during these conditions is usually not sufficient for normal immune function, nor for normal protein synthesis, L-ornithine may have immunomodulatory and wound-healing activities under these conditions (by virtue of its metabolism to L-arginine).","Pharmacodynamics":"A non-essential and nonprotein amino acid, ornithine is critical for the production of the body's proteins, enzymes and muscle tissue. Ornithine plays a central role in the urea cycle and is important for the disposal of excess nitrogen (ammonia). Ornithine is the starting point for the synthesis of many polyamines such as putrescine and spermine. Ornithine supplements are claimed to enhance the release of growth hormone and to burn excess body fat. Ornithine is necessary for proper immune function and good liver function.","Absorption":"Absorbed from the small intestine via a sodium-dependent active transport process","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00445","Drugs":["DB00118","DB00127","DB00129","DB00134","DB01345","DB01917","DB03566"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00059","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00360","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00205","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00357","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00020","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00001","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00362","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00507","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00363","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00002","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00003","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]}]},{"ID":"DB00130","Name":"L-Glutamine","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from glutamic acid and ammonia. It is the principal carrier of nitrogen in the body and is an important energy source for many cells. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used for nutritional supplementation, also for treating dietary shortage or imbalance.","Toxicity":"Doses of L-glutamine up to 21 grams daily appear to be well tolerated. Reported adverse reactions are mainly gastrointestinal and not common. They include constipation and bloating. There is one older report of two hypomanic patients whose manic symptoms were exacerbated following the use of 2 to 4 grams daily of L-glutamine. The symptoms resolved when the L-glutamine was stopped. These patients were not rechallenged, nor are there any other reports of this nature.","MechanismOfAction":"Supplemental L-glutamine's possible immunomodulatory role may be accounted for in a number of ways. L-glutamine appears to play a major role in protecting the integrity of the gastrointestinal tract and, in particular, the large intestine. During catabolic states, the integrity of the intestinal mucosa may be compromised with consequent increased intestinal permeability and translocation of Gram-negative bacteria from the large intestine into the body. The demand for L-glutamine by the intestine, as well as by cells such as lymphocytes, appears to be much greater than that supplied by skeletal muscle, the major storage tissue for L-glutamine. L-glutamine is the preferred respiratory fuel for enterocytes, colonocytes and lymphocytes. Therefore, supplying supplemental L-glutamine under these conditions may do a number of things. For one, it may reverse the catabolic state by sparing skeletal muscle L-glutamine. It also may inhibit translocation of Gram-negative bacteria from the large intestine. L-glutamine helps maintain secretory IgA, which functions primarily by preventing the attachment of bacteria to mucosal cells. L-glutamine appears to be required to support the proliferation of mitogen-stimulated lymphocytes, as well as the production of interleukin-2 (IL-2) and interferon-gamma (IFN-gamma). It is also required for the maintenance of lymphokine-activated killer cells (LAK). L-glutamine can enhance phagocytosis by neutrophils and monocytes. It can lead to an increased synthesis of glutathione in the intestine, which may also play a role in maintaining the integrity of the intestinal mucosa by ameliorating oxidative stress. The exact mechanism of the possible immunomodulatory action of supplemental L-glutamine, however, remains unclear. It is conceivable that the major effect of L-glutamine occurs at the level of the intestine. Perhaps enteral L-glutamine acts directly on intestine-associated lymphoid tissue and stimulates overall immune function by that mechanism, without passing beyond the splanchnic bed.","Pharmacodynamics":"Like other amino acids, glutamine is biochemically important as a constituent of proteins. Glutamine is also crucial in nitrogen metabolism. Ammonia (formed by nitrogen fixation) is assimilated into organic compounds by converting glutamic acid to glutamine. The enzyme which accomplishes this is called glutamine synthetase. Glutamine can then be used as a nitrogen donor in the biosynthesis of many compounds, including other amino acids, purines, and pyrimidines.","Absorption":"Absorption is efficient and occurs by an active transport mechanism","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00126","Drugs":["DB00130"]},{"ID":"SMP00609","Drugs":["DB00118","DB00130","DB01033","DB01345"]},{"ID":"SMP00048","Drugs":["DB00118","DB00130","DB00142","DB00627","DB02701"]},{"ID":"SMP00240","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00175","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00067","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00217","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00192","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00390","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00045","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00534","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00216","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00009","Drugs":["DB00116","DB00117","DB00119","DB00121","DB00128","DB00130","DB00133","DB00142","DB00145","DB01971"]},{"ID":"SMP00059","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00205","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00567","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00002","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00385","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00003","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00219","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00243","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00357","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00202","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00072","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00654","Drugs":["DB00119","DB00121","DB00130","DB00139","DB00142","DB01345","DB01677","DB01709","DB01819","DB02263","DB04272","DB04326"]},{"ID":"SMP00001","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00339","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00136","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02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monophosphate","DrugType":"small molecule","HalfLife":"","Description":"Adenylic acid. Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2\u0026#39;-, 3\u0026#39;-, or 5\u0026#39;-position. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"","MechanismOfAction":"Nucleotides such as Adenosine-5'-Monophosphate affect a number of immune functions, including the reversal of malnutrition and starvation-induced immunosuppression, the enhancement of T-cell maturation and function, the enhancement of natural killer cell activity, the improvement of delayed cutaneous hypersensitivity, helping resistance to such infectious agents as Staphylococcus aureus and Candida albicans, and finally the modulation of T-cell responses toward type 1 CD4 helper lymphocytes or Th1 cells. Studies have shown that mice fed a nucleotide-free diet have both impaired humoral and cellular immune responses. The addition of dietary nucleotides normalizes both types of responses. RNA, a delivery form of nucleotides, and ribonucleotides were used in these studies. The mechanism of the immune-enhancing activity of nucleic acids/nucleotides is not clear.","Pharmacodynamics":"Adenosine monophosphate, also known as 5'-adenylic acid and abbreviated AMP, is a nucleotide that is found in RNA. It is an ester of phosphoric acid with the nucleoside adenosine. AMP consists of the phosphate group, the pentose sugar ribose, and the nucleobase adenine. AMP is used as a dietary supplement to boost immune activity, and is also used as a substitute sweetener to aid in the maintenance of a low-calorie diet.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00132","Name":"Alpha-Linolenic Acid","DrugType":"small molecule","HalfLife":"","Description":"Alpha-linolenic acid (ALA) is a polyunsaturated omega-3 fatty acid. It is a component of many common vegetable oils and is important to human nutrition. [Wikipedia]","Classification":{"Description":"This compound belongs to the lineolic acids and derivatives. These are derivatives of lineolic acid.","DirectParent":"Lineolic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Lineolic Acids and Derivatives","SubClass":""},"Indication":"For nutritional supplementation and for treating dietary shortage or imbalance.","Toxicity":"","MechanismOfAction":"Alpha Linolenic Acid or ALA is considered an essential fatty acid because it is required for human health, but cannot be synthesized by humans. It is in fact a plant-derived fatty acid. Humans can synthesize other omega-3 fatty acids from ALA, including eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA). EPA is a precursor of the series-3 prostaglandins, the series-5 leukotrienes and the series-3 thromboxanes. These eicosanoids have anti-inflammatory and anti-atherogenic properties. ALA metabolites may also inhibit the production of the pro-inflammatory eicosanoids, prostaglandin E2 (PGE2) and leukotriene B4 (LTB4), as well as the pro-inflammatory cytokines, tumor necrosis factor-alpha (TNF-alpha) and interleukin-1 beta (IL-1 beta). Omega-3 fatty acids like ALA and its byproducts can modulate the expression of a number of genes, including those involved with fatty acid metabolism and inflammation. They regulate gene expression through their effects on the activity of transcription factors including NF-kappa B and members of the peroxisome proliferator-activated receptor (PPAR) family. Incorporation of ALA and its metabolites in cell membranes can affect membrane fluidity and may play a role in anti-inflammatory activity, inhibition of platelet aggregation and possibly in anti-proliferative actions of ALA. ALA is first metabolized by delta6 desaturease into steridonic acid.","Pharmacodynamics":"Alpha Linolenic Acid (ALA) is an 18-carbon polyunsaturated fatty acid with three double bonds. It is also called an omega-3 fatty acid, and is essential for all mammals. Alpha-linolenic acid (or omega 3 fatty acid) intake can decrease the risk of cardiovascular diseases by 1) preventing arrhythmias that can lead to sudden cardiac death, 2) decreasing the risk of thrombosis (blood clot formation) that can lead to heart attack or stroke, 3) decreasing serum triglyceride levels, 4) slowing the growth of atherosclerotic plaque, 5) improving vascular endothelial function, 6) lowering blood pressure slightly, and 7) decreasing inflammation. ALA deficiencies can lead to visual problems and sensory neuropathy. Scaly and hemorrhagic skin or scalp inflammations may also develop.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00018","Drugs":["DB00132","DB00159","DB01373","DB04557"]}]},{"ID":"DB00133","Name":"L-Serine","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from glycine or threonine. It is involved in the biosynthesis of purines; pyrimidines; and other amino acids. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used as a natural moisturizing agent in some cosmetics and skin care products.","Toxicity":"","MechanismOfAction":"L-Serine plays a role in cell growth and development (cellular proliferation). The conversion of L-serine to glycine by serine hydroxymethyltransferase results in the formation of the one-carbon units necessary for the synthesis of the purine bases, adenine and guanine. These bases when linked to the phosphate ester of pentose sugars are essential components of DNA and RNA and the end products of energy producing metabolic pathways, ATP and GTP. In addition, L-serine conversion to glycine via this same enzyme provides the one-carbon units necessary for production of the pyrimidine nucleotide, deoxythymidine monophosphate, also an essential component of DNA.","Pharmacodynamics":"Serine is classified as a nutritionally non-essential amino acid. Serine is critical for the production of the body's proteins, enzymes and muscle tissue. Serine is needed for the proper metabolism of fats and fatty acids. It also helps in the production of antibodies. Serine is used as a natural moisturizing agent in some cosmetics and skin care products. The main source of essential amino acids is from the diet, non-essential amino acids are normally synthesize by humans and other mammals from common intermediates.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00455","Drugs":["DB00133","DB00151","DB04553"]},{"ID":"SMP00514","Drugs":["DB00133","DB00151","DB04553"]},{"ID":"SMP00029","Drugs":["DB00133","DB00160","DB00640","DB02345","DB04553"]},{"ID":"SMP00515","Drugs":["DB00133","DB00151","DB04553"]},{"ID":"SMP00348","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00347","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00525","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00526","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00034","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00349","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00242","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00340","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00570","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00009","Drugs":["DB00116","DB00117","DB00119","DB00121","DB00128","DB00130","DB00133","DB00142","DB00145","DB01971"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00484","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00221","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00721","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]}]},{"ID":"DB00134","Name":"L-Methionine","DrugType":"small molecule","HalfLife":"","Description":"A sulfur containing essential amino acid that is important in many body functions. It is a chelating agent for heavy metals. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used for protein synthesis including the formation of SAMe, L-homocysteine, L-cysteine, taurine, and sulfate.","Toxicity":"Doses of L-methionine of up to 250 mg daily are generally well tolerated. Higher doses may cause nausea, vomiting and headache. Healthy adults taking 8 grams of L-methionine daily for four days were found to have reduced serum folate levels and leucocytosis. Healthy adults taking 13.9 grams of L-methionine daily for five days were found to have changes in serum pH and potassium and increased urinary calcium excretion. Schizophrenic patients given 10 to 20 grams of L-methionine daily for two weeks developed functional psychoses. Single doses of 8 grams precipitated encephalopathy in patients with cirrhosis.","MechanismOfAction":"The mechanism of the possible anti-hepatotoxic activity of L-methionine is not entirely clear. It is thought that metabolism of high doses of acetaminophen in the liver lead to decreased levels of hepatic glutathione and increased oxidative stress. L-methionine is a precursor to L-cysteine. L-cysteine itself may have antioxidant activity. L-cysteine is also a precursor to the antioxidant glutathione. Antioxidant activity of L-methionine and metabolites of L-methionine appear to account for its possible anti-hepatotoxic activity. Recent research suggests that methionine itself has free-radical scavenging activity by virtue of its sulfur, as well as its chelating ability.","Pharmacodynamics":"L-Methionine is a principle supplier of sulfur which prevents disorders of the hair, skin and nails; helps lower cholesterol levels by increasing the liver's production of lecithin; reduces liver fat and protects the kidneys; a natural chelating agent for heavy metals; regulates the formation of ammonia and creates ammonia-free urine which reduces bladder irritation; influences hair follicles and promotes hair growth. L-methionine may protect against the toxic effects of hepatotoxins, such as acetaminophen. Methionine may have antioxidant activity.","Absorption":"Absorbed from the lumen of the small intestine into the enterocytes by an active transport process.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00123","Drugs":["DB00116","DB00118","DB00134","DB00640","DB01345","DB01593"]},{"ID":"SMP00445","Drugs":["DB00118","DB00127","DB00129","DB00134","DB01345","DB01917","DB03566"]},{"ID":"SMP00262","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00453","DB01972","DB02431","DB03685"]},{"ID":"SMP00248","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01211","DB01972","DB02431","DB03685"]},{"ID":"SMP00255","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01172","DB01972","DB02431","DB03685"]},{"ID":"SMP00290","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00618","DB01972","DB02431","DB03685"]},{"ID":"SMP00292","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01017","DB01972","DB02431","DB03685"]},{"ID":"SMP00730","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01361","DB01972","DB02431","DB03685"]},{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00251","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00778","DB01972","DB02431","DB03685"]},{"ID":"SMP00253","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00479","DB01972","DB02431","DB03685"]},{"ID":"SMP00258","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00919","DB01972","DB02431","DB03685"]},{"ID":"SMP00295","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00256","DB01972","DB02431","DB03685"]},{"ID":"SMP00728","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01627","DB01972","DB02431","DB03685"]},{"ID":"SMP00242","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00340","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00570","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00250","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00199","DB01972","DB02431","DB03685"]},{"ID":"SMP00252","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00976","DB01972","DB02431","DB03685"]},{"ID":"SMP00257","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00955","DB01972","DB02431","DB03685"]},{"ID":"SMP00294","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00759","DB01972","DB02431","DB03685"]},{"ID":"SMP00712","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00560","DB01972","DB02431","DB03685"]},{"ID":"SMP00714","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01421","DB01972","DB02431","DB03685"]},{"ID":"SMP00727","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00931","DB01972","DB02431","DB03685"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]},{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]},{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]},{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB0016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molecule","HalfLife":"","Description":"A non-essential amino acid. In animals it is synthesized from phenylalanine. It is also the precursor of epinephrine; thyroid hormones; and melanin. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"Tyrosine is claimed to act as an effective antidepressant, however results are mixed. Tyrosine has also been claimed to reduce stress and combat narcolepsy and chronic fatigue, however these claims have been refuted by some studies.","Toxicity":"L-Tyrosine has very low toxicity. There have been very few reports of toxicity. LD\u003csub\u003e50\u003c/sub\u003e (oral, rat) \u003e 5110 mg/kg.","MechanismOfAction":"Tyrosine is produced in cells by hydroxylating the essential amino acid phenylalanine. This relationship is much like that between cysteine and methionine. Half of the phenylalanine required goes into the production of tyrosine; if the diet is rich in tyrosine itself, the requirements for phenylalanine are reduced by about 50%. The mechanism of L-tyrosine's antidepressant activity can be accounted for by the precursor role of L-tyrosine in the synthesis of the neurotransmitters norepinephrine and dopamine. Elevated brain norepinephrine and dopamine levels are thought to be associated with antidepressant effects.","Pharmacodynamics":"Tyrosine is a nonessential amino acid synthesized in the body from phenylalanine. Tyrosine is critical for the production of the body's proteins, enzymes and muscle tissue. Tyrosine is a precursor to the neurotransmitters norepinephrine and dopamine. It can act as a mood elevator and an anti-depressant. It may improve memory and increase mental alertness. Tyrosine aids in the production of melanin and plays a critical role in the production of thyroxin (thyroid hormones). Tyrosine deficiencies are manifested by hypothyroidism, low blood pressure and low body temperature. Supplemental tyrosine has been used to reduce stress and combat narcolepsy and chronic fatigue.","Absorption":"L-tyrosine is absorbed from the small intestine by a sodium-dependent active transport process.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00716","Drugs":["DB00135","DB01373"]},{"ID":"SMP00370","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00206","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00369","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00008","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00170","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00012","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00497","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB00136","Name":"Calcitriol","DrugType":"small molecule","HalfLife":"5-8 hours","Description":"Calcitriol or 1,25-dihydroxycholecalciferol (abbreviated 1,25-(OH)\u003csub\u003e2\u003c/sub\u003e-D3) is the active form of vitamin D found in the body (vitamin D3). Calcitriol is marketed under various trade names including Rocaltrol (Roche), Calcijex (Abbott) and Decostriol (Mibe, Jesalis). It is produced in the kidneys via 25-hydroxyvitamin D-1 \u0026alpha;-hydroxylase by conversion from 25-hydroxycholecalciferol (calcidiol). This is stimulated by a decrease in serum calcium, phosphate (PO\u003csub\u003e4\u003c/sub\u003e\u003csup\u003e3−\u003c/sup\u003e) and parathyroid hormone (PTH) levels. It regulates calcium levels by increasing the absorption of calcium and phosphate from the gastrointestinal tract, increasing calcium and phosphate reabsorption in the kidneys and inhibiting the release of PTH. Calcitriol is also commonly used as a medication in the treatment of hypocalcemia and osteoporosis.","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"Used to treat vitamin D deficiency or insufficiency, refractory rickets (vitamin D resistant rickets), familial hypophosphatemia and hypoparathyroidism, and in the management of hypocalcemia and renal osteodystrophy in patients with chronic renal failure undergoing dialysis. Also used in conjunction with calcium in the management and prevention of primary or corticosteroid-induced osteoporosis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e (oral, rat) = 620 \u0026mu;g/kg; LD\u003csub\u003e50\u003c/sub\u003e (intraperitoneal, rat) \u003e 5 mg/kg; Overdose evident in elevated blood calcium levels causing symptoms of anorexia, nausea and vomiting, polyuria, polydipsia, weakness, pruritus, and nervousness, potentially with irreversible calcification of soft tissue in the kidney and liver.","MechanismOfAction":"The mechanism of action of calcitriol in the treatment of psoriasis is accounted for by their antiproliferative activity for keratinocytes and their stimulation of epidermal cell differentiation. The anticarcinogenic activity of the active form of Calcitriol appears to be correlated with cellular vitamin D receptor (VDR) levels. Vitamin D receptors belong to the superfamily of steroid-hormone zinc-finger receptors. VDRs selectively bind 1,25-(OH)\u003csub\u003e2\u003c/sub\u003e-D3 and retinoic acid X receptor (RXR) to form a heterodimeric complex that interacts with specific DNA sequences known as vitamin D-responsive elements. VDRs are ligand-activated transcription factors. The receptors activate or repress the transcription of target genes upon binding their respective ligands. It is thought that the anticarcinogenic effect of Calcitriol is mediated via VDRs in cancer cells. The immunomodulatory activity of calcitriol is thought to be mediated by vitamin D receptors (VDRs) which are expressed constitutively in monocytes but induced upon activation of T and B lymphocytes. 1,25-(OH)\u003csub\u003e2\u003c/sub\u003e-D3 has also been found to enhance the activity of some vitamin D-receptor positive immune cells and to enhance the sensitivity of certain target cells to various cytokines secreted by immune cells.","Pharmacodynamics":"Calcitriol, a pharmaceutical form of vitamin D, has anti-osteoporotic, immunomodulatory, anticarcinogenic, antipsoriatic, antioxidant, and mood-modulatory activities. Calcitriol has been found to be effective in the treatment of psoriasis when applied topically. Calcitriol has been found to induce differentiation and/or inhibit cell proliferation in a number of malignant cell lines including human prostate cancer cells. Vitamin D deficiency has long been suspected to increase the susceptibility to tuberculosis. The active form of calcitriol, 1,25-(OH)\u003csub\u003e2\u003c/sub\u003e-D3, has been found to enhance the ability of mononuclear phagocytes to suppress the intracellular growth of \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e. 1,25-(OH)\u003csub\u003e2\u003c/sub\u003e-D3 has demonstrated beneficial effects in animal models of such autoimmune diseases as rheumatoid arthritis. It has also been found to induce monocyte differentiation and to inhibit lymphocyte proliferation and production of cytokines, including interleukin IL-1 and IL-2, as well as to suppress immunoglobulin secretion by B lymphocytes. Vitamin D appears to demonstrate both immune-enhancing and immunosuppressive effects.","Absorption":"Rapidly absorbed from the intestine.","Interactions":[{"ID":"DB00169"},{"ID":"DB00930"},{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00137","Name":"Xanthophyll","DrugType":"small molecule","HalfLife":"","Description":"Xanthophylls are yellow pigments from the carotenoid group that are widespread in nature. They are present in egg yolk, algae, and petals of yellow flowers, among other sources. The xanthophylls include lutein, zeaxanthin, neoxanthin, violaxanthin, and α- and β-cryptoxanthin, of which lutein is the primary ingested one.","Classification":{"Description":"This compound belongs to the xanthophylls. These are carotenoids containing an oxygenated carotene backbone.","DirectParent":"Xanthophylls","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Tetraterpenes"},"Indication":"Xanthophylls are taken for nutritional supplementation, and also for treating dietary shortage or imbalance.","Toxicity":"","MechanismOfAction":"Xanthophylls have antioxidant activity and react with active oxygen species, producing biologically active degradation products. They also can inhibit peroxidation of membrane phospholipids and reduce lipofuscin formation, both of which contribute to their antioxidant properties. Lutein is naturally present in the macula of the human retina. It filters out potentially phototoxic blue light and near-ultraviolet radiation from the macula. The protective effect is due in part, to the reactive oxygen species quenching ability of these carotenoids. Lutein is more stable to decomposition by pro-oxidants than are other carotenoids such as beta-carotene and lycopene. Lutein is abundant in the region surrounding the fovea, and lutein is the predominant pigment at the outermost periphery of the macula. Zeaxanthin, which is fully conjugated (lutein is not), may offer somewhat better protection than lutein against phototoxic damage caused by blue and near-ultraviolet light radiation. Lutein is one of only two carotenoids that have been identified in the human lens, may be protective against age-related increases in lens density and cataract formation. Again, the possible protection afforded by lutein may be accounted for, in part, by its reactive oxygen species scavenging abilities. Carotenoids also provide protection from cancer. One of the mechanisms of this is by increasing the expression of the protein connexin-43, thereby stimulating gap junctional communication and preventing unrestrained cell proliferation.","Pharmacodynamics":"Lutein was found to be present in a concentrated area of the macula, a small area of the retina responsible for central vision. The hypothesis for the natural concentration is that lutein helps protect from oxidative stress and high-energy light. Several studies show that an increase in macula pigmentation decreases the risk for eye diseases such as Age-related Macular Degeneration (AMD).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00138","Name":"L-Cystine","DrugType":"small molecule","HalfLife":"","Description":"A covalently linked dimeric nonessential amino acid formed by the oxidation of cysteine. Two molecules of cysteine are joined together by a disulfide bridge to form cystine. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"It has been claimed that L-cysteine has anti-inflammatory properties, that it can protect against various toxins, and that it might be helpful in osteoarthritis and rheumatoid arthritis. More research will have to be done before L-cysteine can be indicated for any of these conditions. Research to date has mostly been in animal models.","Toxicity":"With typical doses of 1 to 1.5 grams daily, the most commonly reported side effects have been gastrointestinal, such as nausea. There are rare reports of cystine renal stone formation, Single injections of L-cysteine (0.6-1.5 g/kg) into 4-day-old pups resulted in massive damage to cortical neurons, permanent retinal dystrophy, atrophy of the brain and hyperactivity.","MechanismOfAction":"Certain conditions, e.g. an acetaminophen overdose, deplete hepatic glutathione and subject the tissues to oxidative stress resulting in loss of cellular integrity. L-Cystine serves as a major precursor for synthesis of glutathione.","Pharmacodynamics":"L-Cystine is a covalently linked dimeric nonessential amino acid formed by the oxidation of cysteine. Two molecules of cysteine are joined together by a disulfide bridge to form cystine. Cystine is a chemical substance which naturally occurs as a deposit in the urine, and can form a calculus (hard mineral formation) when deposited in the kidney. The compound produced when two cysteine molecules linked by a disulfide (S-S) bond. Cystine is required for proper vitamin B6 utilization and is also helpful in the healing of burns and wounds, breaking down mucus deposits in illnesses such as bronchitis as well as cystic fibrosis. Cysteine also assists in the supply of insulin to the pancreas, which is needed for the assimilation of sugars and starches. It increases the level of glutathione in the lungs, liver, kidneys and bone marrow, and this may have an anti-aging effect on the body by reducing age-spots etc.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00139","Name":"Succinic acid","DrugType":"small molecule","HalfLife":"","Description":"A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley\u0026#39;s Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851)","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"Oral rat LD\u003csub\u003e50\u003c/sub\u003e: 2260 mg/kg","MechanismOfAction":"Succinate is an essential component of the Krebs or citric acid cycle and serves an electron donor in the production of fumaric acid and FADH2. It also has been shown to be a good \"natural\" antibiotic because of its relative acidic or caustic nature (high concentrations can even cause burns). Succinate supplements have been shown to help reduce the effects of hangovers by activating the degradation of acetaldehyde - a toxic byproduct of alcohol metabolism - into CO2 and H2O through aerobic metabolism. Succinic acid has been shown to stimulate neural system recovery and bolster the immune system. Claims have also been made that it boosts awareness, concentration and reflexes.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00071","Drugs":["DB00139"]},{"ID":"SMP00569","Drugs":["DB00139"]},{"ID":"SMP00073","Drugs":["DB00139","DB03568"]},{"ID":"SMP00030","Drugs":["DB00126","DB00139","DB00583","DB01592"]},{"ID":"SMP00355","Drugs":["DB00139","DB01677","DB02263","DB04326"]},{"ID":"SMP00451","Drugs":["DB00126","DB00139","DB01592"]},{"ID":"SMP00450","Drugs":["DB00126","DB00139","DB01592"]},{"ID":"SMP00465","Drugs":["DB00118","DB00126","DB00139","DB00145","DB00583","DB01592"]},{"ID":"SMP00547","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00549","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00550","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00057","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00548","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00546","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00551","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00137","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00139","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00032","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00384","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00138","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00522","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00199","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00200","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00523","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00140","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00141","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00236","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00521","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00524","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00173","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00237","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00238","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00360","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00243","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00385","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00567","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00072","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00020","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00654","Drugs":["DB00119","DB00121","DB00130","DB00139","DB00142","DB01345","DB01677","DB01709","DB01819","DB02263","DB04272","DB04326"]},{"ID":"SMP00362","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00339","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00136","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00507","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00363","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]}]},{"ID":"DB00140","Name":"Riboflavin","DrugType":"small molecule","HalfLife":"66-84 minutes","Description":"Nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables. The richest natural source is yeast. It occurs in the free form only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. [PubChem]","Classification":{"Description":"This compound belongs to the flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, whose structure is characterized by an isoalloaxzine tricyclic ring.","DirectParent":"Flavins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Alloxazines and Isoalloxazines"},"Indication":"For the treatment of ariboflavinosis (vitamin B2 deficiency).","Toxicity":"","MechanismOfAction":"Binds to riboflavin hydrogenase, riboflavin kinase, and riboflavin synthase. Riboflavin is the precursor of flavin mononucleotide (FMN, riboflavin monophosphate) and flavin adenine dinucleotide (FAD). The antioxidant activity of riboflavin is principally derived from its role as a precursor of FAD and the role of this cofactor in the production of the antioxidant reduced glutathione. Reduced glutathione is the cofactor of the selenium-containing glutathione peroxidases among other things. The glutathione peroxidases are major antioxidant enzymes. Reduced glutathione is generated by the FAD-containing enzyme glutathione reductase.","Pharmacodynamics":"Riboflavin or vitamin B2 is an easily absorbed, water-soluble micronutrient with a key role in maintaining human health. Like the other B vitamins, it supports energy production by aiding in the metabolising of fats, carbohydrates, and proteins. Vitamin B2 is also required for red blood cell formation and respiration, antibody production, and for regulating human growth and reproduction. It is essential for healthy skin, nails, hair growth and general good health, including regulating thyroid activity. Riboflavin also helps in the prevention or treatment of many types of eye disorders, including some cases of cataracts.","Absorption":"Vitamin B2 is readily absorbed from the upper gastrointestinal tract.","Interactions":null,"Salts":[{"ID":"DBSALT000877","Name":"Riboflavin phosphate sodium dihydrate"}],"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00070","Drugs":["DB00140","DB01373","DB01593","DB03247"]}]},{"ID":"DB00141","Name":"N-Acetyl-D-glucosamine","DrugType":"small molecule","HalfLife":"","Description":"The N-acetyl derivative of glucosamine. [PubChem]","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For the treatment and prevention of osteoarthritis, by itself or in combination with chondroitin sulfate.","Toxicity":"Mouse, intravenous LD\u003csub\u003e50\u003c/sub\u003e is 4170 mg/kg. Side effects that have been reported are mainly mild gastrointestinal complaints such as heartburn, epigastric distress and diarrhea. No allergic reactions have been reported including sulfa-allergic reactions to glucosamine sulfate.","MechanismOfAction":"The mechanism of action in relieving arthritic pain and in repair of cartilage is a matter of speculation. Biochemically, glucosamine is involved in glycoprotein metabolism. Glycoproteins, known as proteoglycans, form the ground substance in the extra-cellular matrix of connective tissue. Proteoglycans are polyanionic substances of high-molecular weight and contain many different types of heteropolysaccharide side-chains covalently linked to a polypeptide-chain backbone. These polysaccharides make up to 95% of the proteoglycan structure. In fact, chemically, proteoglycans resemble polysaccharides more than they do proteins. The polysaccharide groups in proteoglycans are called glycosaminoglycans (GAGs). GAGs include hyaluronic acid, chondroitin sulfate, dermatan sulfate, keratan sulfate, heparin and heparan sulfate. All of the GAGs contain derivatives of glucosamine or galactosamine. Glucosamine derivatives are found in hyaluronic acid, keratan sulfate and heparan sulfate. Chondroitin sulfate contains derivatives of galactosamine. The glucosamine-containing glycosaminoglycan hyaluronic acid is vital for the function of articular cartilage. GAG chains are fundamental components of aggrecan found in articular cartilage. Aggrecan confers upon articular cartilage shock-absorbing properties. It does this by providing cartilage with a swelling pressure that is restrained by the tensile forces of collagen fibers. This balance confers upon articular cartilage the deformable resilience vital to its function. In the early stages of degenerative joint disease, aggrecan biosynthesis is increased. However, in later stages, aggrecan synthesis is decreased, leading eventually to the loss of cartilage resiliency and to most of the symptoms that accompany osteoarthritis. During the progression of osteoarthritis, exogenous glucosamine may have a beneficial role. It is known that, in vitro, chondrocytes do synthesize more aggregan when the culture medium is supplemented with glucosamine. N-acetylglucosamine is found to be less effective in these in vitro studies. Glucosamine has also been found to have antioxidant activity and to be beneficial in animal models of experimental arthritis. The counter anion of the glucosamine salt (i.e. chloride or sulfate) is unlikely to play any role in the action or pharmacokinetics of glucosamine. Further, the sulfate in glucosamine sulfate supplements should not be confused with the glucosamine sulfate found in such GAGs as keratan sulfate and heparan sulfate. In the case of the supplement, sulfate is the anion of the salt. In the case of the above GAGs, sulfate is present as an ester. Also, there is no glucosamine sulfate in chondroitin sulfate (source: PDRhealth).","Pharmacodynamics":"","Absorption":"Approximately 90% of orally administered glucosamine (salt form) gets absorbed from the small intestine.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00240","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00217","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00390","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00045","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00534","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00216","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]}]},{"ID":"DB00142","Name":"L-Glutamic Acid","DrugType":"small molecule","HalfLife":"","Description":"A peptide that is a homopolymer of glutamic acid. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Considered to be nature's \"Brain food\" by improving mental capacities; helps speed the healing of ulcers; gives a \"lift\" from fatigue; helps control alcoholism, schizophrenia and the craving for sugar.","Toxicity":"Glutamate causes neuronal damage and eventual cell death, particularly when NMDA receptors are activated, High dosages of glutamic acid may include symptoms such as headaches and neurological problems.","MechanismOfAction":"Glutamate activates both ionotropic and metabotropic glutamate receptors. The ionotropic ones being non-NMDA (AMPA and kainate) and NMDA receptors. Free glutamic acid cannot cross the blood-brain barrier in appreciable quantities; instead it is converted into L-glutamine, which the brain uses for fuel and protein synthesis. It is conjectured that glutamate is involved in cognitive functions like learning and memory in the brain, though excessive amounts may cause neuronal damage associated in diseases like amyotrophic lateral sclerosis, lathyrism, and Alzheimer's disease. Also, the drug phencyclidine (more commonly known as PCP) antagonizes glutamate at the NMDA receptor, causing behavior reminiscent of schizophrenia. Glutamate in action is extremely difficult to study due to its transient nature.","Pharmacodynamics":"In addition to being one of the building blocks in protein synthesis, it is the most widespread neurotransmitter in brain function, as an excitatory neurotransmitter and as a precursor for the synthesis of GABA in GABAergic neurons.\r\n","Absorption":"Absorbed from the lumen of the small intestine into the enterocytes.Absorption is efficient and occurs by an active transport mechanism.","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":[{"ID":"SMP00719","Drugs":["DB00142","DB04207"]},{"ID":"SMP00127","Drugs":["DB00119","DB00142","DB00160"]},{"ID":"SMP00186","Drugs":["DB00142","DB04207"]},{"ID":"SMP00527","Drugs":["DB00142","DB04207"]},{"ID":"SMP00129","Drugs":["DB00128","DB00142","DB01373"]},{"ID":"SMP00239","Drugs":["DB00142","DB04207"]},{"ID":"SMP00528","Drugs":["DB00142","DB04207"]},{"ID":"SMP00571","Drugs":["DB00142","DB04207"]},{"ID":"SMP00037","Drugs":["DB00142","DB04207"]},{"ID":"SMP00543","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00075","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00116","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00724","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00053","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00048","Drugs":["DB00118","DB00130","DB00142","DB00627","DB02701"]},{"ID":"SMP00120","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00353","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00695","Drugs":["DB00142","DB00143","DB01373","DB01593","DB01628","DB04557"]},{"ID":"SMP00700","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557","DB06725"]},{"ID":"SMP00707","Drugs":["DB00142","DB00143","DB01373","DB01399","DB01593","DB04557"]},{"ID":"SMP00098","Drugs":["DB00142","DB00143","DB00465","DB01373","DB01593","DB04557"]},{"ID":"SMP00102","Drugs":["DB00142","DB00143","DB00963","DB01373","DB01593","DB04557"]},{"ID":"SMP00109","Drugs":["DB00142","DB00143","DB00784","DB01373","DB01593","DB04557"]},{"ID":"SMP00183","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00499","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00013","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00096","Drugs":["DB00142","DB00143","DB01373","DB01593","DB03435","DB04557"]},{"ID":"SMP00101","Drugs":["DB00142","DB00143","DB00870","DB01373","DB01593","DB04557"]},{"ID":"SMP00104","Drugs":["DB00142","DB00143","DB00328","DB01373","DB01593","DB04557"]},{"ID":"SMP00289","Drugs":["DB00142","DB00143","DB00861","DB01373","DB01593","DB04557"]},{"ID":"SMP00692","Drugs":["DB00142","DB00143","DB01373","DB01435","DB01593","DB04557"]},{"ID":"SMP00694","Drugs":["DB00142","DB00143","DB00821","DB01373","DB01593","DB04557"]},{"ID":"SMP00699","Drugs":["DB00142","DB00143","DB01283","DB01373","DB01593","DB04557"]},{"ID":"SMP00706","Drugs":["DB00142","DB00143","DB00469","DB01373","DB01593","DB04557"]},{"ID":"SMP00370","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00201","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00206","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00083","Drugs":["DB00142","DB00143","DB00945","DB01373","DB01593","DB04557"]},{"ID":"SMP00085","Drugs":["DB00142","DB00143","DB01009","DB01373","DB01593","DB04557"]},{"ID":"SMP00093","Drugs":["DB00142","DB00143","DB00586","DB01373","DB01593","DB04557"]},{"ID":"SMP00113","Drugs":["DB00142","DB00143","DB00991","DB01373","DB01593","DB04557"]},{"ID":"SMP00696","Drugs":["DB00142","DB00143","DB00573","DB01373","DB01593","DB04557"]},{"ID":"SMP00701","Drugs":["DB00142","DB00143","DB00812","DB01373","DB01593","DB04557"]},{"ID":"SMP00703","Drugs":["DB00142","DB00143","DB01373","DB01401","DB01593","DB04557"]},{"ID":"SMP00708","Drugs":["DB00142","DB00143","DB01373","DB01398","DB01593","DB04557"]},{"ID":"SMP00500","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00015","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00008","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00084","Drugs":["DB00142","DB00143","DB00749","DB01373","DB01593","DB04557"]},{"ID":"SMP00086","Drugs":["DB00142","DB00143","DB01373","DB01593","DB03435","DB04557"]},{"ID":"SMP00094","Drugs":["DB00142","DB00143","DB00605","DB01373","DB01593","DB04557"]},{"ID":"SMP00114","Drugs":["DB00142","DB00143","DB00461","DB01373","DB01593","DB04557"]},{"ID":"SMP00432","Drugs":["DB00116","DB00142","DB00158","DB00563","DB00650","DB01373"]},{"ID":"SMP00697","Drugs":["DB00142","DB00143","DB00712","DB01373","DB01593","DB04557"]},{"ID":"SMP00702","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557","DB06802"]},{"ID":"SMP00704","Drugs":["DB00142","DB00143","DB00500","DB01373","DB01593","DB04557"]},{"ID":"SMP00709","Drugs":["DB00142","DB00143","DB00936","DB01373","DB01593","DB04557"]},{"ID":"SMP00337","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00501","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00077","Drugs":["DB00142","DB00143","DB00554","DB01373","DB01593","DB04557"]},{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molecule","HalfLife":"","Description":"A tripeptide with many roles in cells. It conjugates to drugs to make them more soluble for excretion, is a cofactor for some enzymes, is involved in protein disulfide bond rearrangement and reduces peroxides. [PubChem]","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"ORL-MUS LD\u003csub\u003e50\u003c/sub\u003e 5000 mg/kg, IPR-MUS LD\u003csub\u003e50\u003c/sub\u003e 4020 mg/kg, SCU-MUS LD\u003csub\u003e50\u003c/sub\u003e 5000 mg/kg, IVN-RBT LD\u003csub\u003e50\u003c/sub\u003e \u003e 2000 mg/kg, IMS-MUS LD\u003csub\u003e50\u003c/sub\u003e 4000 mg/kg","MechanismOfAction":"Glutathione (GSH) participates in leukotriene synthesis and is a cofactor for the enzyme glutathione peroxidase. It is also important as a hydrophilic molecule that is added to lipophilic toxins and waste in the liver during biotransformation before they can become part of the bile. Glutathione is also needed for the detoxification of methylglyoxal, a toxin produced as a by-product of metabolism. This detoxification reaction is carried out by the glyoxalase system. Glyoxalase I catalyzes the conversion of methylglyoxal and reduced glutathione to S-D-Lactoyl-glutathione. Glyoxalase II catalyzes the conversion of S-D-Lactoyl Glutathione to Reduced Glutathione and D-lactate. GSH is known as a cofactor in both conjugation reactions and reduction reactions, catalyzed by glutathione S-transferase enzymes in cytosol, microsomes, and mitochondria. However, it is capable of participating in non-enzymatic conjugation with some chemicals, as it is hypothesized to do to a significant extent with n-acetyl-p-benzoquinone imine (NAPQI), the reactive cytochrome P450 reactive metabolite formed by toxic overdose of acetaminophen. Glutathione in this capacity binds to NAPQI as a suicide substrate and in the process detoxifies it, taking the place of cellular protein sulfhydryl groups which would otherwise be toxically adducted. The preferred medical treatment to an overdose of this nature, whose efficacy has been consistently supported in literature, is the administration (usually in atomized form) of N-acetylcysteine, which is used by cells to replace spent GSSG and allow a usable GSH pool.","Pharmacodynamics":"","Absorption":"Research suggests that glutathione is not orally bioactive, and that very little of oral glutathione tablets or capsules is actually absorbed by the body.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00604","Drugs":["DB00143","DB00531"]},{"ID":"SMP00447","Drugs":["DB00143","DB00531"]},{"ID":"SMP00459","Drugs":["DB00119","DB00143","DB01593","DB03066"]},{"ID":"SMP00640","Drugs":["DB00143","DB00316","DB03435"]},{"ID":"SMP00120","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00353","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00075","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00116","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00695","Drugs":["DB00142","DB00143","DB01373","DB01593","DB01628","DB04557"]},{"ID":"SMP00700","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557","DB06725"]},{"ID":"SMP00707","Drugs":["DB00142","DB00143","DB01373","DB01399","DB01593","DB04557"]},{"ID":"SMP00098","Drugs":["DB00142","DB00143","DB00465","DB01373","DB01593","DB04557"]},{"ID":"SMP00102","Drugs":["DB00142","DB00143","DB00963","DB01373","DB01593","DB04557"]},{"ID":"SMP00109","Drugs":["DB00142","DB00143","DB00784","DB01373","DB01593","DB04557"]},{"ID":"SMP00183","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00077","Drugs":["DB00142","DB00143","DB00554","DB01373","DB01593","DB04557"]},{"ID":"SMP00087","Drugs":["DB00142","DB00143","DB00533","DB01373","DB01593","DB04557"]},{"ID":"SMP00106","Drugs":["DB00142","DB00143","DB00814","DB01373","DB01593","DB04557"]},{"ID":"SMP00693","Drugs":["DB00142","DB00143","DB01373","DB01419","DB01593","DB04557"]},{"ID":"SMP00698","Drugs":["DB00142","DB00143","DB01373","DB01397","DB01593","DB04557"]},{"ID":"SMP00705","Drugs":["DB00142","DB00143","DB01373","DB01593","DB01600","DB04557"]},{"ID":"SMP00710","Drugs":["DB00142","DB00143","DB00316","DB01373","DB01593","DB04557"]},{"ID":"SMP00143","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00096","Drugs":["DB00142","DB00143","DB01373","DB01593","DB03435","DB04557"]},{"ID":"SMP00101","Drugs":["DB00142","DB00143","DB00870","DB01373","DB01593","DB04557"]},{"ID":"SMP00104","Drugs":["DB00142","DB00143","DB00328","DB01373","DB01593","DB04557"]},{"ID":"SMP00289","Drugs":["DB00142","DB00143","DB00861","DB01373","DB01593","DB04557"]},{"ID":"SMP00692","Drugs":["DB00142","DB00143","DB01373","DB01435","DB01593","DB04557"]},{"ID":"SMP00694","Drugs":["DB00142","DB00143","DB00821","DB01373","DB01593","DB04557"]},{"ID":"SMP00699","Drugs":["DB00142","DB00143","DB01283","DB01373","DB01593","DB04557"]},{"ID":"SMP00706","Drugs":["DB00142","DB00143","DB00469","DB01373","DB01593","DB04557"]},{"ID":"SMP00015","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00084","Drugs":["DB00142","DB00143","DB00749","DB01373","DB01593","DB04557"]},{"ID":"SMP00086","Drugs":["DB00142","DB00143","DB01373","DB01593","DB03435","DB04557"]},{"ID":"SMP00094","Drugs":["DB00142","DB00143","DB00605","DB01373","DB01593","DB04557"]},{"ID":"SMP00114","Drugs":["DB00142","DB00143","DB00461","DB01373","DB01593","DB04557"]},{"ID":"SMP00697","Drugs":["DB00142","DB00143","DB00712","DB01373","DB01593","DB04557"]},{"ID":"SMP00702","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557","DB06802"]},{"ID":"SMP00704","Drugs":["DB00142","DB00143","DB00500","DB01373","DB01593","DB04557"]},{"ID":"SMP00709","Drugs":["DB00142","DB00143","DB00936","DB01373","DB01593","DB04557"]},{"ID":"SMP00337","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00501","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00083","Drugs":["DB00142","DB00143","DB00945","DB01373","DB01593","DB04557"]},{"ID":"SMP00085","Drugs":["DB00142","DB00143","DB01009","DB01373","DB01593","DB04557"]},{"ID":"SMP00093","Drugs":["DB00142","DB00143","DB00586","DB01373","DB01593","DB04557"]},{"ID":"SMP00113","Drugs":["DB00142","DB00143","DB00991","DB01373","DB01593","DB04557"]},{"ID":"SMP00696","Drugs":["DB00142","DB00143","DB00573","DB01373","DB01593","DB04557"]},{"ID":"SMP00701","Drugs":["DB00142","DB00143","DB00812","DB01373","DB01593","DB04557"]},{"ID":"SMP00703","Drugs":["DB00142","DB00143","DB01373","DB01401","DB01593","DB04557"]},{"ID":"SMP00708","Drugs":["DB00142","DB00143","DB01373","DB01398","DB01593","DB04557"]},{"ID":"SMP00500","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00196","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00060","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00212","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00559","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP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molecule","HalfLife":"","Description":"Phosphatidylserine (PS) is a phospholipid nutrient found in fish, green leafy vegetables, soybeans and rice, and is essential for the normal functioning of neuronal cell membranes and activates Protein kinase C (PKC) which has been shown to be involved in memory function. In apoptosis, phosphatidylserine is transferred to the outer leaflet of the plasma membrane. This is part of the process by which the cell is targeted for phagocytosis. PS has been shown to slow cognitive decline in animal models. PS has been investigated in a small number of double-blind placebo trials and has been shown to increase memory performance in the elderly. Because of the potentail cognitive benefits of phosphatidylserine, the substance is sold as a dietary supplement to people who believe they can benefit from an increased intake.\r\n\r\nThe dietary supplement was originally processed from bovine sources however Prion disease scares in the 1990s outlawed this process, and a soy-based alternative was adopted.","Classification":{"Description":"This compound belongs to the phosphatidylserines. These are glycerophosphoserines in which two fatty acids are bonded to the glycerol moiety through ester linkages.","DirectParent":"Phosphatidylserines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoserines"},"Indication":"Phosphatidylserine has demonstrated some usefulness in treating cognitive impairment, including Alzheimer's disease, age-associated memory impairment and some non-Alzheimer's dementias. More research is needed before phosphatidylserine can be indicated for immune enhancement or for reduction of exercise stress.","Toxicity":"There are no reports of overdosage. LD\u003csub\u003e50\u003c/sub\u003e in rats is more than 5g/kg, and in rabbits is more than 2g/kg.","MechanismOfAction":"Cholinergic hypofunction is thought to account in part for the cognitive deficits found in Alzheimer's disease. The most commonly used drugs for the treatment of Alzheimer's disease are reversible acetylcholinesterase inhibitors. The rationale of these drugs is to increase acetylcholine levels in the brains of Alzheimer's patients, and they may be somewhat effective in some cases. Phosphatidylserine restores acetylcholine release in aging humans by maintaining an adequate supply of the molecule and is able to increase the availability of endogenous choline for de novo acetylcholine synthesis. The hippocampus of the brain is believed to be important for cognitive processes and is affected in those with Alzheimer's disease. The dendritic spines of pyramidal cells, the post-synaptic target of the excitatory input to the hippocampus, have been proposed as a substrate for information storage. Age-dependent dendritic spine loss in pyramidal neurons has been reported in the human brain, and the extent of synaptic loss appears to correlate with the degree of cognitive impairment. Phosphatidylserine treatment prevents the age-related reduction in dendritic spine density in rat hippocampus. Protein kinase C facilitation of acetylcholine release has been reported in rats. Phosphatidylserine was found to restore protein kinase C activity in aging rats. Stimulation of calcium uptake by brain synaptosomes and activation of protein kinase C are yet other speculative mechanisms of phosphatidylserine's putative cognition-enhancing action.","Pharmacodynamics":"Phosphatidylserine is indicated in the treatment of cognitive impairment, including Alzheimer's disease, age-associated memory impairment and some non-Alzheimer's dementias. Further research is required before phosphatidylserine can be indicated for immune enhancement or for reduction of exercise stress. Phosphatidylserine was first isolated from brain lipids called cephalins. The major cephalins are phosphatidylserine and phophatidylethanolamine. Phosphatidylserine is involved in signal transduction activity as well as being a basic structural component of biologic membranes.","Absorption":"Absorbed in the small intestine.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00145","Name":"Glycine","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid. It is found primarily in gelatin and silk fibroin and used therapeutically as a nutrient. It is also a fast inhibitory neurotransmitter. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Supplemental glycine may have antispastic activity. Very early findings suggest it may also have antipsychotic activity as well as antioxidant and anti-inflammatory activities.","Toxicity":"ORL-RAT LD\u003csub\u003e50\u003c/sub\u003e 7930 mg/kg, SCU-RAT LD\u003csub\u003e50\u003c/sub\u003e 5200 mg/kg, IVN-RAT LD\u003csub\u003e50\u003c/sub\u003e 2600 mg/kg, ORL-MUS LD\u003csub\u003e50\u003c/sub\u003e 4920 mg/kg; Doses of 1 gram daily are very well tolerated. Mild gastrointestinal symptoms are infrequently noted. In one study doses of 90 grams daily were also well tole.","MechanismOfAction":"In the CNS, there exist strychnine-sensitive glycine binding sites as well as strychnine-insensitive glycine binding sites. The strychnine-insensitive glycine-binding site is located on the NMDA receptor complex. The strychnine-sensitive glycine receptor complex is comprised of a chloride channel and is a member of the ligand-gated ion channel superfamily. The putative antispastic activity of supplemental glycine could be mediated by glycine's binding to strychnine-sensitive binding sites in the spinal cord. This would result in increased chloride conductance and consequent enhancement of inhibitory neurotransmission. The ability of glycine to potentiate NMDA receptor-mediated neurotransmission raised the possibility of its use in the management of neuroleptic-resistant negative symptoms in schizophrenia. \u003cbr/\u003eAnimal studies indicate that supplemental glycine protects against endotoxin-induced lethality, hypoxia-reperfusion injury after liver transplantation, and D-galactosamine-mediated liver injury. Neutrophils are thought to participate in these pathologic processes via invasion of tissue and releasing such reactive oxygen species as superoxide. In vitro studies have shown that neutrophils contain a glycine-gated chloride channel that can attenuate increases in intracellular calcium and diminsh neutrophil oxidant production. This research is ealy-stage, but suggests that supplementary glycine may turn out to be useful in processes where neutrophil infiltration contributes to toxicity, such as ARDS.","Pharmacodynamics":"Helps trigger the release of oxygen to the energy requiring cell-making process; Important in the manufacturing of hormones responsible for a strong immune system.","Absorption":"Absorbed from the small intestine via an active transport 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molecule","HalfLife":"288 hours","Description":"The major circulating metabolite of vitamin D3 (cholecalciferol). It is produced in the liver and is the best indicator of the body's vitamin D stores. It is effective in the treatment of rickets and osteomalacia, both in azotemic and non-azotemic patients. Calcifediol also has mineralizing properties. [PubChem]","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"Used to treat vitamin D deficiency or insufficiency, refractory rickets (vitamin D resistant rickets), familial hypophosphatemia and hypoparathyroidism, and in the management of hypocalcemia and renal osteodystrophy in patients with chronic renal failure undergoing dialysis. Also used in conjunction with calcium in the management and prevention of primary or corticosteroid-induced osteoporosis.","Toxicity":"Bone pain, constipation (especially in children or adolescents), diarrhea, drowsiness, dryness of mouth; headache (continuing), increased thirst, increase in frequency of urination, especially at night, or in amount of urine, irregular heartbeat, itching skin, loss of appetite, metallic taste, muscle pain, nausea or vomiting (especially in children or adolescents), unusual tiredness or weakness.","MechanismOfAction":"Calcidiol is transformed in the kidney by 25-hydroxyvitamin D3-1-(alpha)-hydroxylase to calcitriol, the active form of vitamin D3. Calcitriol binds to intracellular receptors that then function as transcription factors to modulate gene expression. Like the receptors for other steroid hormones and thyroid hormones, the vitamin D receptor has hormone-binding and DNA-binding domains. The vitamin D receptor forms a complex with another intracellular receptor, the retinoid-X receptor, and that heterodimer is what binds to DNA. In most cases studied, the effect is to activate transcription, but situations are also known in which vitamin D suppresses transcription. Calcitriol increases the serum calcium concentrations by: increasing GI absorption of phosphorus and calcium, increasing osteoclastic resorption, and increasing distal renal tubular reabsorption of calcium. Calcitriol appears to promote intestinal absorption of calcium through binding to the vitamin D receptor in the mucosal cytoplasm of the intestine. Subsequently, calcium is absorbed through formation of a calcium-binding protein.","Pharmacodynamics":"Calcidiol is the precursor of vitamin D3. Vitamin D3 is a steroid hormone that has long been known for its important role in regulating body levels of calcium and phosphorus, in mineralization of bone, and for the assimilation of vitamin A. The classical manifestations of vitamin D deficiency is rickets, which is seen in children and results in bony deformaties including bowed long bones. Deficiency in adults leads to the disease osteomalacia. Both rickets and osteomalacia reflect impaired mineralization of newly synthesized bone matrix, and usually result from a combination of inadequate exposure to sunlight and decreased dietary intake of vitamin D. Common causes of vitamin D deficiency include genetic defects in the vitamin D receptor, severe liver or kidney disease, and insufficient exposure to sunlight. Vitamin D plays an important role in maintaining calcium balance and in the regulation of parathyroid hormone (PTH). It promotes renal reabsorption of calcium, increases intestinal absorption of calcium and phosphorus, and increases calcium and phosphorus mobilization from bone to plasma.","Absorption":"Readily absorbed.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00147","Name":"Pyridoxal","DrugType":"small molecule","HalfLife":"","Description":"The 4-carboxyaldehyde form of vitamin B 6 which is converted to pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. [PubChem]","Classification":{"Description":"This compound belongs to the pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, an hydroxyl group, a carbaldehyde group, and an hydroxymethyl group, respectively.","DirectParent":"Pyridoxals and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridine Carboxaldehydes"},"Indication":"Pyridoxal is one of the natural forms available of vitamin B6, therefore, it is used for nutritional supplementation and for treating dietary shortage or imbalances.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e Rat: 2150 mg/kg, Oral LD\u003csub\u003e50\u003c/sub\u003e Mouse: 1800 mg/kg","MechanismOfAction":"Pyridoxal is the precursor to pyridoxal phosphate. Pyridoxal 5'-phosphate is involved in a wide range of biochemical reactions, including the metabolism of amino acids and glycogen, the synthesis of nucleic acids, hemogloblin, sphingomyelin and other sphingolipids, and the synthesis of the neurotransmitters serotonin, dopamine, norepinephrine and gamma-aminobutyric acid (GABA).","Pharmacodynamics":"Pyridoxal principally in the form of the coenzyme pyridoxal 5'-phosphate, is involved in a wide range of biochemical reactions, including the metabolism of amino acids and glycogen, the synthesis of nucleic acids, hemogloblin, sphingomyelin and other sphingolipids, and the synthesis of the neurotransmitters serotonin, dopamine, norepinephrine and gamma-aminobutyric acid (GABA).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00017","Drugs":["DB00147","DB01593","DB03247"]},{"ID":"SMP00503","Drugs":["DB00147","DB01593","DB03247"]},{"ID":"SMP00137","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00139","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00199","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00200","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00523","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00173","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00237","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00238","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00032","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00384","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00138","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00522","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00140","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00141","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00236","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00521","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00524","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]}]},{"ID":"DB00148","Name":"Creatine","DrugType":"small molecule","HalfLife":"3 hours","Description":"An amino acid that occurs in vertebrate tissues and in urine. In muscle tissue, creatine generally occurs as phosphocreatine. Creatine is excreted as creatinine in the urine. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"","MechanismOfAction":"In the muscles, a fraction of the total creatine binds to phosphate - forming creatine phosphate. The reaction is catalysed by creatine kinase, and the result is phosphocreatine (PCr). Phosphocreatine binds with adenosine diphosphate to convert it back to ATP (adenosine triphosphate), an important cellular energy source for short term ATP needs prior to oxidative phosphorylation.","Pharmacodynamics":"Creatine is a essential, non-proteinaceous amino acid found in all animals and, in some plants. Creatine is synthesized in the kidney, liver and pancreas from L-arginine, glycine and L-methionine. Following its biosynthesis, creatine is transported to the skeletal muscle, heart, brain and other tissues. Most of the creatine is metabolized in these tissues to phosphocreatine (creatine phosphate). Phosphocreatine is a major energy storage form in the body. Supplemental creatine may have an energy-generating action during anaerobic exercise and may also have neuroprotective and cardioprotective actions.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00020","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00242","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00362","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00507","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00363","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00484","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00360","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00721","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]}]},{"ID":"DB00149","Name":"L-Leucine","DrugType":"small molecule","HalfLife":"","Description":"An essential branched-chain amino acid important for hemoglobin formation. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Indicated to assist in the prevention of the breakdown of muscle proteins that sometimes occur after trauma or severe stress.","Toxicity":"","MechanismOfAction":"This group of essential amino acids are identified as the branched-chain amino acids, BCAAs. Because this arrangement of carbon atoms cannot be made by humans, these amino acids are an essential element in the diet. The catabolism of all three compounds initiates in muscle and yields NADH and FADH2 which can be utilized for ATP generation. The catabolism of all three of these amino acids uses the same enzymes in the first two steps. The first step in each case is a transamination using a single BCAA aminotransferase, with a-ketoglutarate as amine acceptor. As a result, three different a-keto acids are produced and are oxidized using a common branched-chain a-keto acid dehydrogenase, yielding the three different CoA derivatives. Subsequently the metabolic pathways diverge, producing many intermediates. The principal product from valine is propionylCoA, the glucogenic precursor of succinyl-CoA. Isoleucine catabolism terminates with production of acetylCoA and propionylCoA; thus isoleucine is both glucogenic and ketogenic. Leucine gives rise to acetylCoA and acetoacetylCoA, and is thus classified as strictly ketogenic. There are a number of genetic diseases associated with faulty catabolism of the BCAAs. The most common defect is in the branched-chain a-keto acid dehydrogenase. Since there is only one dehydrogenase enzyme for all three amino acids, all three a-keto acids accumulate and are excreted in the urine. The disease is known as Maple syrup urine disease because of the characteristic odor of the urine in afflicted individuals. Mental retardation in these cases is extensive. Unfortunately, since these are essential amino acids, they cannot be heavily restricted in the diet; ultimately, the life of afflicted individuals is short and development is abnormal The main neurological problems are due to poor formation of myelin in the CNS.","Pharmacodynamics":"An essential amino acid. (Claim) Leucine helps with the regulation of blood-sugar levels, the growth and repair of muscle tissue (such as bones, skin and muscles), growth hormone production, wound healing as well as energy regulation. It can assist to prevent the breakdown of muscle proteins that sometimes occur after trauma or severe stress. It may also be beneficial for individuals with phenylketonuria - a condition in which the body cannot metabolize the amino acid phenylalanine","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00150","Name":"L-Tryptophan","DrugType":"small molecule","HalfLife":"","Description":"An essential amino acid that is necessary for normal growth in infants and for nitrogen balance in adults. It is a precursor of indole alkaloids in plants. It is a precursor of serotonin (hence its use as an antidepressant and sleep aid). It can be a precursor to niacin, albeit inefficiently, in mammals. [PubChem]","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"Tryptophan may be useful in increasing serotonin production, promoting healthy sleep, managing depression by enhancing mental and emotional well-being, managing pain tolerance, and managing weight.","Toxicity":"Oral rat LD\u003csub\u003e50\u003c/sub\u003e: \u003e 16 gm/kg. Investigated as a tumorigen, mutagen, reproductive effector. Symptoms of overdose include agitation, confusion, diarrhea, fever, overactive reflexes, poor coordination, restlessness, shivering, sweating, talking or acting with excitement you cannot control, trembling or shaking, twitching, and vomiting.","MechanismOfAction":"A number of important side reactions occur during the catabolism of tryptophan on the pathway to acetoacetate. The first enzyme of the catabolic pathway is an iron porphyrin oxygenase that opens the indole ring. The latter enzyme is highly inducible, its concentration rising almost 10-fold on a diet high in tryptophan. Kynurenine is the first key branch point intermediate in the pathway. Kynurenine undergoes deamniation in a standard transamination reaction yielding kynurenic acid. Kynurenic acid and metabolites have been shown to act as antiexcitotoxics and anticonvulsives. A second side branch reaction produces anthranilic acid plus alanine. Another equivalent of alanine is produced further along the main catabolic pathway, and it is the production of these alanine residues that allows tryptophan to be classified among the glucogenic and ketogenic amino acids. The second important branch point converts kynurenine into 2-amino-3-carboxymuconic semialdehyde, which has two fates. The main flow of carbon elements from this intermediate is to glutarate. An important side reaction in liver is a transamination and several rearrangements to produce limited amounts of nicotinic acid, which leads to production of a small amount of NAD\u003csup\u003e+\u003c/sup\u003e and NADP\u003csup\u003e+\u003c/sup\u003e.","Pharmacodynamics":"Tryptophan is critical for the production of the body's proteins, enzymes and muscle tissue. It is also essential for the production of niacin, the synthesis of the neurotransmitter serotonin and melatonin. Tryptophan supplements can be used as natural relaxants to help relieve insomnia. Tryptophan can also reduce anxiety and depression and has been shown to reduce the intensity of migraine headaches. Other promising indications include the relief of chronic pain, reduction of impulsivity or mania and the treatment of obsessive or compulsive disorders. Tryptophan also appears to help the immune system and can reduce the risk of cardiac spasms. Tryptophan deficiencies may lead to coronary artery spasms. Tryptophan is used as an essential nutrient in infant formulas and intravenous feeding. Tryptophan is marketed as a prescription drug (Tryptan) for those who do not seem to respond well to conventional antidepressants. It may also be used to treat those afflicted with seasonal affective disorder (a winter-onset depression). Tryptopan serves as the precursor for the synthesis of serotonin (5-hydroxytryptamine, 5-HT) and melatonin (N-acetyl-5-methoxytryptamine).","Absorption":"","Interactions":[{"ID":"DB06700"},{"ID":"DB01247"},{"ID":"DB06684"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00063","Drugs":["DB00118","DB00142","DB00150","DB00160","DB01065","DB01592","DB02959","DB03644"]}]},{"ID":"DB00151","Name":"L-Cysteine","DrugType":"small molecule","HalfLife":"","Description":"A thiol-containing non-essential amino acid that is oxidized to form cystine. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the prevention of liver damage and kidney damage associated with overdoses of acetaminophen","Toxicity":"","MechanismOfAction":"Although classified as a non-essential amino acid cysteine may be essential for infants, the elderly, and individuals with certain metabolic disease or who suffer from malabsorption syndromes. Cysteine can usually be synthesized by the human body under normal physiological conditions if a sufficient quantity of methionine is available. Due to the ability of thiols to undergo redox reactions, cysteine has antioxidant properties. Cysteine's antioxidant properties are typically expressed in the tripeptide glutathione, which occurs in humans as well as other organisms. The systemic availability of oral glutathione (GSH) is negligible; so it must be biosynthesized from its constituent amino acids, cysteine, glycine, and glutamic acid. Glutamic acid and glycine are readily available in the diets of most industrialized countries, but the availability of cysteine can be the limiting substrate. Cysteine is also an important source of sulfide in human metabolism. The sulfide in iron-sulfur clusters and in nitrogenase is extracted from cysteine, which is converted to alanine in the process. In a 1994 report released by five top cigarette companies, cysteine is one of the 599 additives to cigarettes. Its use or purpose, however, is unknown, like most cigarette additives. Its inclusion in cigarettes could offer two benefits: Acting as an expectorant, since smoking increases mucus production in the lungs; and increasing the beneficial antioxidant glutathione (which is diminished in smokers).","Pharmacodynamics":"Due to this ability to undergo redox reactions, cysteine has antioxidant properties. Cysteine is an important source of sulfur in human metabolism, and although it is classified as a non-essential amino acid, cysteine may be essential for infants, the elderly, and individuals with certain metabolic disease or who suffer from malabsorption syndromes. Cysteine may at some point be recognized as an essential or conditionally essential amino acid.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00027","Drugs":["DB00151","DB01373","DB02431","DB03247"]},{"ID":"SMP00088","Drugs":["DB00151","DB00887","DB01345","DB03904"]},{"ID":"SMP00091","Drugs":["DB00151","DB01325","DB01345","DB03904"]},{"ID":"SMP00108","Drugs":["DB00151","DB00774","DB01345","DB03904"]},{"ID":"SMP00133","Drugs":["DB00151","DB00594","DB01345","DB03904"]},{"ID":"SMP00097","Drugs":["DB00151","DB00903","DB01345","DB03904"]},{"ID":"SMP00110","Drugs":["DB00151","DB00808","DB01345","DB03904"]},{"ID":"SMP00134","Drugs":["DB00151","DB00421","DB01345","DB03904"]},{"ID":"SMP00021","Drugs":["DB00151","DB01592","DB01956"]},{"ID":"SMP00090","Drugs":["DB00151","DB00436","DB01345","DB03904"]},{"ID":"SMP00184","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00081","Drugs":["DB00151","DB00232","DB01345","DB03904"]},{"ID":"SMP00105","Drugs":["DB00151","DB00524","DB01345","DB03904"]},{"ID":"SMP00121","Drugs":["DB00151","DB01021","DB01345","DB03904"]},{"ID":"SMP00132","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00193","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00455","Drugs":["DB00133","DB00151","DB04553"]},{"ID":"SMP00483","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00078","Drugs":["DB00151","DB00880","DB01345","DB03904"]},{"ID":"SMP00100","Drugs":["DB00151","DB00999","DB01345","DB03904"]},{"ID":"SMP00115","Drugs":["DB00151","DB00695","DB01345","DB03904"]},{"ID":"SMP00135","Drugs":["DB00151","DB00700","DB01345","DB03904"]},{"ID":"SMP00245","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00514","Drugs":["DB00133","DB00151","DB04553"]},{"ID":"SMP00723","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00080","Drugs":["DB00151","DB01324","DB01345","DB03904"]},{"ID":"SMP00103","Drugs":["DB00151","DB00606","DB01345","DB03904"]},{"ID":"SMP00118","Drugs":["DB00151","DB00214","DB01345","DB03904"]},{"ID":"SMP00122","Drugs":["DB00151","DB00310","DB01345","DB03904"]},{"ID":"SMP00515","Drugs":["DB00133","DB00151","DB04553"]},{"ID":"SMP00189","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00197","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00583","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00585","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00013","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00183","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00499","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00143","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00722","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00500","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00015","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00337","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00501","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00243","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00385","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00567","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB0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molecule","HalfLife":"","Description":"Thiamine or thiamin, also known as vitamin B1, is a colorless compound with the chemical formula C12H17N4OS. It is soluble in water and insoluble in alcohol. Thiamine decomposes if heated. Thiamine was first discovered by Umetaro Suzuki in Japan when researching how rice bran cured patients of Beriberi. Thiamine plays a key role in intracellular glucose metabolism and it is thought that thiamine inhibits the effect of glucose and insulin on arterial smooth muscle cell proliferation. Thiamine plays an important role in helping the body convert carbohydrates and fat into energy. It is essential for normal growth and development and helps to maintain proper functioning of the heart and the nervous and digestive systems. Thiamine cannot be stored in the body; however, once absorbed, the vitamin is concentrated in muscle tissue.","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the treatment of thiamine and niacin deficiency states, Korsakov's alcoholic psychosis, Wernicke-Korsakov syndrome, delirium, and peripheral neuritis.","Toxicity":"Thiamine toxicity is uncommon; as excesses are readily excreted, although long-term supplementation of amounts larger than 3 gram have been known to cause toxicity. Oral mouse LD\u003csub\u003e50\u003c/sub\u003e = 8224 mg/kg, oral rat LD\u003csub\u003e50\u003c/sub\u003e = 3710 mg/kg.","MechanismOfAction":"It is thought that the mechanism of action of thiamine on endothelial cells is related to a reduction in intracellular protein glycation by redirecting the glycolytic flux. Thiamine is mainly the transport form of the vitamin, while the active forms are phosphorylated thiamine derivatives. There are five known natural thiamine phosphate derivatives: thiamine monophosphate (ThMP), thiamine diphosphate (ThDP), also sometimes called thiamine pyrophosphate (TPP), thiamine triphosphate (ThTP), and the recently discovered adenosine thiamine triphosphate (AThTP), and adenosine thiamine diphosphate. Each derivative has unique functions, however, most are involved as coenzymes.","Pharmacodynamics":"Thiamine is a vitamin with antioxidant, erythropoietic, cognition-and mood-modulatory, antiatherosclerotic, putative ergogenic, and detoxification activities. Thiamine has been found to protect against lead-induced lipid peroxidation in rat liver and kidney. Thiamine deficiency results in selective neuronal death in animal models. The neuronal death is associated with increased free radical production, suggesting that oxidative stress may play an important early role in brain damage associated with thiamine deficiency. Thiamine plays a key role in intracellular glucose metabolism and it is thought that thiamine inhibits the effect of glucose and insulin on arterial smooth muscle cell proliferation. Inhibition of endothelial cell proliferation may also promote atherosclerosis. Endothelial cells in culture have been found to have a decreased proliferative rate and delayed migration in response to hyperglycemic conditions. Thiamine has been shown to inhibit this effect of glucose on endothelial cells.","Absorption":"Absorbed mainly from duodenum, by both active and passive processes","Interactions":null,"Salts":[{"ID":"DBSALT000205","Name":"Thiamine Hydrochloride"}],"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00153","Name":"Ergocalciferol","DrugType":"small molecule","HalfLife":"19 to 48 hours (however, stored in fat deposits in body for prolonged periods).","Description":"Ergocalciferol (Vitamin D2) is a derivative of ergosterol formed by ultraviolet rays breaking of the C9-C10 bond. It differs from cholecalciferol in having a double bond between C22 and C23 and a methyl group at C24. [PubChem]","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"For use in the management of hypocalcemia and its clinical manifestations in patients with hypoparathyroidism, as well as for the treatment of familial hypophosphatemia (vitamin D resistant rickets). This drug has also been used in the treatment of nutritional rickets or osteomalacia, vitamin D dependent rickets, rickets or osteomalacia secondary to long-term high dose anticonvulsant therapy, early renal osteodystrophy, osteoporosis (in conjunction with calcium), and hypophosphatemia associated with Fanconi syndrome (with treatment of acidosis).","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 23.7 mg/kg (Orally in mice); LD\u003csub\u003e50\u003c/sub\u003e = 10 mg/kg (Orally in rats ); Nausea, vomiting and diarrhea, weight loss, irritability, weakness, fatigue, lassitude, and headache.","MechanismOfAction":"Activated ergocalciferol increases serum calcium and phosphate concentrations, primarily by increasing intestinal absorption of calcium and phosphate through binding to a specific receptor in the mucosal cytoplasm of the intestine. Subsequently, calcium is absorbed through formation of a calcium-binding protein. 25-hydroxyergocalciferol is the intermediary metabolite of ergocalciferol. Although this metabolite exhibits 2–5 times more activity than unactivated ergocalciferol in curing rickets and inducing calcium absorption and mobilization (from bone) in animals, this increased activity is still insufficient to affect these functions at physiologic concentrations. Activated ergocalciferol stimulate resorption of bone and are required for normal mineralization of bone. Physiological doses of ergocalciferol also promotes calcium reabsorption by the kidneys, but the significance of this effect is not known. ","Pharmacodynamics":"Ergoalcifediol (Vitamin D2) is a fat soluble steroid hormone precursor of vitamin D. The principal biologic function of vitamin D is the maintenance of normal levels of serum calcium and phosphorus in the bloodstream by enhancing the efficacy of the small intestine to absorb these minerals from the diet. Cholecalciferol is synthesized within our bodies naturally, but if UV exposure is inadequate or the metabolism of cholecalciferol is abnormal, then an exogenous source is required. Vitamin D2 is converted to 25-hydroxyvitamin D (25OHD) in the liver, and then to the active form, 1,25-dihydroxyvitamin D (1,25(OH)2D), in the kidney. Once transformed, it binds to the vitamin D receptor, which leads to a variety of regulatory roles. Vitamin D plays an important role in maintaining calcium balance and in the regulation of parathyroid hormone (PTH). It promotes renal reabsorption of calcium, increases intestinal absorption of calcium and phosphorus, and increases calcium and phosphorus mobilization from bone to plasma. Very few foods naturally contain vitamin D. Sources that contain the vitamin include fatty fish, the liver and fat of aquatic mammals (e.g., seals, polar bears), and eggs from chickens fed vitamin D-fortified feed. As such, many countries have instituted policies to fortify certain foods with vitamin D to compensate for the potentially low exposures of skin to sunlight. Vitamin D deficiency results in inadequate mineralization of bone or compensatory skeletal demineralization and causes decreased ionized calcium concentrations in blood and a resultant increase in the production and secretion of PTH. Increase in PTH stimulates the mobilization of skeletal calcium, inhibits renal excretion of calcium, and stimulates renal excretion of phosphorus. This results in normal fasting serum calcium concentrations and low or near-normal serum phosphorus. The enhanced mobilization of skeletal calcium induced by this secondary hyperparathyroidism leads porotic bone.","Absorption":"Readily absorbed from small intestine (proximal or distal), requires presence of bile salts.","Interactions":[{"ID":"DB00169"},{"ID":"DB00930"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00154","Name":"Dihomo-gamma-linolenic acid","DrugType":"small molecule","HalfLife":"","Description":"A 20-carbon-chain fatty acid, unsaturated at positions 8, 11, and 14. It differs from arachidonic acid, 5,8,11,14-eicosatetraenoic acid, only at position 5. [PubChem]","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"","MechanismOfAction":"DHLA (or DGLA) is a precursor in the synthesis of prostaglandin E1 (PGE1) as well as the series-3 prostaglandins. It also serves as a precursor in the synthesis of eicosapentaenoic acid (EPA). EPA is a precursor of the series-3 prostaglandins, the series-5 leukotrienes and the series-3 thromboxanes. These eicosanoids have anti-thrombogenic, anti-inflammatory and anti-atherogenic properties. PGE1 inhibits platelet aggregation and has a vasodilation action. DHLA has also been shown to reduce the production/activity of tumor necrosis factor alpha.","Pharmacodynamics":"Dihomo gamma-linolenic acid or DHLA is an n-6 (omega-6) polyunsaturated fatty acid. It is comprised of 20 carbon atoms and three double bonds. DHLA is a byproduct of the 18 carbon gamma-linolenic acid (GLA). DHLA is then converted into prostaglandin E1 (PGE1). PGE1 inhibits platelet aggregation and also exerts a vasodilatory effect.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00155","Name":"L-Citrulline","DrugType":"small molecule","HalfLife":"","Description":"Citrulline is an amino acid. It is made from ornithine and carbamoyl phosphate in one of the central reactions in the urea cycle. It is also produced from arginine as a by-product of the reaction catalyzed by NOS family. Its name is derived from citrullus, the Latin word for watermelon, from which it was first isolated.","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used for nutritional supplementation, also for treating dietary shortage or imbalance.","Toxicity":"","MechanismOfAction":"L-citrulline is converted to L-arginine by argininosuccinate synthase. L-arginine is in turn responsible for citrulline's therapeutic affects. Many of L-arginine's activities, including its possible anti-atherogenic actions, may be accounted for by its role as the precursor to nitric oxide or NO. NO is produced by all tissues of the body and plays very important roles in the cardiovascular system, immune system and nervous system. NO is formed from L-arginine via the enzyme nitric oxide synthase or synthetase (NOS), and the effects of NO are mainly mediated by 3',5' -cyclic guanylate or cyclic GMP. NO activates the enzyme guanylate cyclase, which catalyzes the synthesis of cyclic GMP from guanosine triphosphate or GTP. Cyclic GMP is converted to guanylic acid via the enzyme cyclic GMP phosphodiesterase. \u003cbr/\u003e\u003cbr/\u003eNOS is a heme-containing enzyme with some sequences similar to cytochrome P-450 reductase. Several isoforms of NOS exist, two of which are constitutive and one of which is inducible by immunological stimuli. The constitutive NOS found in the vascular endothelium is designated eNOS and that present in the brain, spinal cord and peripheral nervous system is designated nNOS. The form of NOS induced by immunological or inflammatory stimuli is known as iNOS. iNOS may be expressed constitutively in select tissues such as lung epithelium. \u003cbr/\u003e\u003cbr/\u003eAll the nitric oxide synthases use NADPH (reduced nicotinamide adenine dinucleotide phosphate) and oxygen (O\u003csub\u003e2\u003c/sub\u003e) as cosubstrates, as well as the cofactors FAD (flavin adenine dinucleotide), FMN (flavin mononucleotide), tetrahydrobiopterin and heme. Interestingly, ascorbic acid appears to enhance NOS activity by increasing intracellular tetrahydrobiopterin. eNOS and nNOS synthesize NO in response to an increased concentration of calcium ions or in some cases in response to calcium-independent stimuli, such as shear stress. \u003ci\u003eIn vitro\u003c/i\u003e studies of NOS indicate that the Km of the enzyme for L-arginine is in the micromolar range. The concentration of L-arginine in endothelial cells, as well as in other cells, and in plasma is in the millimolar range. What this means is that, under physiological conditions, NOS is saturated with its L-arginine substrate. In other words, L-arginine would not be expected to be rate-limiting for the enzyme, and it would not appear that supraphysiological levels of L-arginine which could occur with oral supplementation of the amino acid would make any difference with regard to NO production. The reaction would appear to have reached its maximum level. However, \u003ci\u003ein vivo\u003c/i\u003e studies have demonstrated that, under certain conditions, e.g. hypercholesterolemia, L-arginine could enhance endothelial-dependent vasodilation and NO production.","Pharmacodynamics":"A non-essential amino acid and a precursor of arginine. Citrulline supplements have been claimed to promote energy levels, stimulate the immune system and help detoxify ammonia (a cell toxin). L-citrulline is made from L-ornithine and carbamoyl phosphate in one of the central reactions in the urea cycle. It is also produced from L-arginine as a by-product of the reaction catalyzed by the enzyme NO synthase. L-citrulline, while being an amino acid, is not involved in protein synthesis and is not one of the amino acids coded for by DNA. Although citrulline cannot be incorporated in proteins during protein synthesis, several proteins are known to contain citrulline as an amino acid. These citrulline residues are generated by a family of enzymes called peptidylarginine deiminases (PADs), which convert the amino acid arginine into citrulline. Proteins that contain citrulline residues include myelin basic protein (MBP), fillagrin and several histone proteins.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00175","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00192","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00067","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00059","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00360","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00205","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00357","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00020","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00001","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00362","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00507","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00363","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00002","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00003","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]}]},{"ID":"DB00156","Name":"L-Threonine","DrugType":"small molecule","HalfLife":"","Description":"An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"L-Threonine makes up collagen, elastin, and enamel protein. It aids proper fat metabolism in the liver, helps the digestive and intestinal tracts function more smoothly, and assists in metabolism and assimilation.","Toxicity":"","MechanismOfAction":"L-Threonine is a precursor to the amino acids glycine and serine. It acts as a lipotropic in controlling fat build-up in the liver. May help combat mental illness and may be very useful in indigestion and intestinal malfunctions. Also, threonine prevents excessive liver fat. Nutrients are more readily absorbed when threonine is present.","Pharmacodynamics":"L-Threonine is an essential amino acid that helps to maintain the proper protein balance in the body. It is important for the formation of collagen, elastin, and tooth enamel, and aids liver and lipotropic function when combined with aspartic acid and methionine.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00452","Drugs":["DB00121","DB00156","DB04553"]},{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]},{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]},{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]},{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]},{"ID":"SMP00262","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00453","DB01972","DB02431","DB03685"]},{"ID":"SMP00248","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01211","DB01972","DB02431","DB03685"]},{"ID":"SMP00255","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01172","DB01972","DB02431","DB03685"]},{"ID":"SMP00290","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00618","DB01972","DB02431","DB03685"]},{"ID":"SMP00292","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01017","DB01972","DB02431","DB03685"]},{"ID":"SMP00730","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01361","DB01972","DB02431","DB03685"]},{"ID":"SMP00251","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00778","DB01972","DB02431","DB03685"]},{"ID":"SMP00253","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00479","DB01972","DB02431","DB03685"]},{"ID":"SMP00258","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00919","DB01972","DB02431","DB03685"]},{"ID":"SMP00295","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00256","DB01972","DB02431","DB03685"]},{"ID":"SMP00728","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01627","DB01972","DB02431","DB03685"]},{"ID":"SMP00250","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00199","DB01972","DB02431","DB03685"]},{"ID":"SMP00252","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00976","DB01972","DB02431","DB03685"]},{"ID":"SMP00257","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00955","DB01972","DB02431","DB03685"]},{"ID":"SMP00294","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00759","DB01972","DB02431","DB03685"]},{"ID":"SMP00712","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00560","DB01972","DB02431","DB03685"]},{"ID":"SMP00714","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01421","DB01972","DB02431","DB03685"]},{"ID":"SMP00727","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00931","DB01972","DB02431","DB03685"]},{"ID":"SMP00249","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01190","DB01972","DB02431","DB03685"]},{"ID":"SMP00256","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00994","DB01972","DB02431","DB03685"]},{"ID":"SMP00291","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00254","DB01972","DB02431","DB03685"]},{"ID":"SMP00293","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00595","DB01972","DB02431","DB03685"]},{"ID":"SMP00711","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00684","DB01972","DB02431","DB03685"]},{"ID":"SMP00713","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01972","DB02431","DB03685","DB06696"]},{"ID":"SMP00726","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01301","DB01972","DB02431","DB03685"]},{"ID":"SMP00731","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01321","DB01972","DB02431","DB03685"]}]},{"ID":"DB00157","Name":"NADH","DrugType":"small molecule","HalfLife":"","Description":"NADH is the reduced form of NAD+, and NAD+ is the oxidized form of NADH, a coenzyme composed of ribosylnicotinamide 5'-diphosphate coupled to adenosine 5'-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). It forms NADP with the addition of a phosphate group to the 2' position of the adenosyl nucleotide through an ester linkage. (Dorland, 27th ed)","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Some evidence suggests that NADH might be useful in treating Parkinson's disease, chronic fatigue syndrome, Alzheimer's disease and cardiovascular disease.","Toxicity":"No reports of overdose, however, high doses of NADH (10 mg a day or more) may cause jitteriness, anxiety, and insomnia.","MechanismOfAction":"NADH is synthesized by the body and thus is not an essential nutrient. It does require the essential nutrient nicotinamide for its synthesis, and its role in energy production is certainly an essential one. In addition to its role in the mitochondrial electron transport chain, NADH is produced in the cytosol. The mitochondrial membrane is impermeable to NADH, and this permeability barrier effectively separates the cytoplasmic from the mitochondrial NADH pools. However, cytoplasmic NADH can be used for biologic energy production. This occurs when the malate-aspartate shuttle introduces reducing equivalents from NADH in the cytosol to the electron transport chain of the mitochondria. This shuttle mainly occurs in the liver and heart.","Pharmacodynamics":"A coenzyme composed of ribosylnicotinamide 5'-diphosphate coupled to adenosine 5'-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). The action of supplemental NADH is unclear. Oral NADH supplementation has been used to combat simple fatigue as well as such mysterious and energy-sapping disorders as chronic fatigue syndrome and fibromyalgia. Researchers are also studying the value of NADH supplements for improving mental function in people with Alzheimer's disease, and minimizing physical disability and relieving depression in people with Parkinson's disease. Some healthy individuals also take NADH supplements orally to improve concentration and memory capacity, as well as to increase athletic endurance. However, to date there have been no published studies to indicate that using NADH is in any way effective or safe for these purposes.","Absorption":"Unclear how much of an administered dose is absorbed.","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB00158","Name":"Folic Acid","DrugType":"small molecule","HalfLife":"","Description":"A member of the vitamin B family that stimulates the hematopoietic system. It is present in the liver and kidney and is found in mushrooms, spinach, yeast, green leaves, and grasses (poaceae). Folic acid is used in the treatment and prevention of folate deficiencies and megaloblastic anemia. [PubChem]","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"For treatment of folic acid deficiency, megaloblastic anemia and in anemias of nutritional supplements, pregnancy, infancy, or childhood.","Toxicity":"IPR-MUS LD\u003csub\u003e50\u003c/sub\u003e 85 mg/kg,IVN-GPG LD\u003csub\u003e50\u003c/sub\u003e 120 mg/kg, IVN-MUS LD\u003csub\u003e50\u003c/sub\u003e 239 mg/kg, IVN-RAT LD\u003csub\u003e50\u003c/sub\u003e 500 mg/kg, IVN-RBT LD\u003csub\u003e50\u003c/sub\u003e 410 mg/kg","MechanismOfAction":"Folic acid, as it is biochemically inactive, is converted to tetrahydrofolic acid and methyltetrahydrofolate by dihydrofolate reductase. These folic acid congeners are transported across cells by receptor-mediated endocytosis where they are needed to maintain normal erythropoiesis, synthesize purine and thymidylate nucleic acids, interconvert amino acids, methylate tRNA, and generate and use formate. Using vitamin B12 as a cofactor, folic acid can normalize high homocysteine levels by remethylation of homocysteine to methionine via methionine synthetase.","Pharmacodynamics":"Folic acid, a water-soluble B-complex vitamin, is found in foods such as liver, kidneys, yeast, and leafy, green vegetables. Folic acid is used to diagnose folate deficiency and to treat topical sprue and megaloblastic and macrocytic anemias, hematologic complications resulting from a deficiency in folic acid.","Absorption":"","Interactions":[{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB01341"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB01346"},{"ID":"DB00418"},{"ID":"DB00306"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00053","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00543","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00724","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00432","Drugs":["DB00116","DB00142","DB00158","DB00563","DB00650","DB01373"]}]},{"ID":"DB00159","Name":"Icosapent","DrugType":"small molecule","HalfLife":"","Description":"Important polyunsaturated fatty acid found in fish oils. It serves as the precursor for the prostaglandin-3 and thromboxane-3 families. A diet rich in eicosapentaenoic acid lowers serum lipid concentration, reduces incidence of cardiovascular disorders, prevents platelet aggregation, and inhibits arachidonic acid conversion into the thromboxane-2 and prostaglandin-2 families. [PubChem]","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"EPA can be used for lowering elevated triglycerides in those who are hyperglyceridemic. In addition, EPA may play a therapeutic role in patients with cystic fibrosis by reducing disease severity and may play a similar role in type 2 diabetics in slowing the progression of diabetic nephropathy.","Toxicity":"","MechanismOfAction":"The anti-inflammatory, antithrombotic and immunomodulatory actions of EPA is probably due to its role in eicosanoid physiology and biochemistry. Most eicosanoids are produced by the metabolism of omega-3 fatty acids, specifically, arachidonic acid. These eicosanoids, leukotriene B4 (LTB4) and thromboxane A2 (TXA2) stimulate leukocyte chemotaxis, platelet aggregation and vasoconstriction. They are thrombogenic and artherogenic. On the other hand, EPA is metabolized to leukotriene B5 (LTB5) and thromboxane A3 (TXA3), which are eicosanoids that promote vasodilation, inhibit platelet aggregation and leukocyte chemotaxis and are anti-artherogenic and anti-thrombotic. The triglyceride-lowering effect of EPA results from inhibition of lipogenesis and stimulation of fatty acid oxidation. Fatty acid oxidation of EPA occurs mainly in the mitochondria. EPA is a substrate for Prostaglandin-endoperoxide synthase 1 and 2. It also appears to affect the function and bind to the Carbohydrate responsive element binding protein (ChREBP) and to a fatty acid receptor (G-coupled receptor) known as GP40.","Pharmacodynamics":"Eicosanoids are chemical messengers derived from 20-carbon polyunsaturated fatty acids that play critical roles in immune and inflammatory responses. Both 20-carbon omega-6 fatty acids (arachidonic acid) and 20-carbon omega-3 fatty acids (EPA) can be found in cell membranes. During an inflammatory response, arachidonic acid and EPA are metabolized by enzymes known as cyclooxygenases and lipoxygenases to form eicosanoids. Increasing omega-3 fatty acid intake increases the EPA content of cell membranes and decreases the arachidonic acid content, resulting in higher proportions of eicosanoids derived from EPA. Physiologic responses to arachidonic acid-derived eicosanoids differ from responses to EPA-derived eicosanoids. In general, eicosanoids derived from EPA are less potent inducers of inflammation, blood vessel constriction, and clotting than eicosanoids derived from arachidonic acid.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00018","Drugs":["DB00132","DB00159","DB01373","DB04557"]}]},{"ID":"DB00160","Name":"L-Alanine","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases immunity, and provides energy for muscle tissue, brain, and the central nervous system. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used for protein synthesis.","Toxicity":"","MechanismOfAction":"L-Alanine is a non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases immunity, and provides energy for muscle tissue, brain, and the central nervous system. BCAAs are used as a source of energy for muscle cells. During prolonged exercise, BCAAs are released from skeletal muscles and their carbon backbones are used as fuel, while their nitrogen portion is used to form another amino acid, Alanine. Alanine is then converted to Glucose by the liver. This form of energy production is called the Alanine-Glucose cycle, and it plays a major role in maintaining the body's blood sugar balance.","Pharmacodynamics":"Is an important source of energy for muscle tissue, the brain and central nervous system; strengthens the immune system by producing antibodies; helps in the metabolism of sugars and organic acids.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00127","Drugs":["DB00119","DB00142","DB00160"]},{"ID":"SMP00029","Drugs":["DB00133","DB00160","DB00640","DB02345","DB04553"]},{"ID":"SMP00063","Drugs":["DB00118","DB00142","DB00150","DB00160","DB01065","DB01592","DB02959","DB03644"]},{"ID":"SMP00055","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00313","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00352","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00350","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00059","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]},{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]},{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]},{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00484","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00205","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00721","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00262","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00453","DB01972","DB02431","DB03685"]},{"ID":"SMP00248","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01211","DB01972","DB02431","DB03685"]},{"ID":"SMP00255","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01172","DB01972","DB02431","DB03685"]},{"ID":"SMP00290","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00618","DB01972","DB02431","DB03685"]},{"ID":"SMP00292","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01017","DB01972","DB02431","DB03685"]},{"ID":"SMP00730","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01361","DB01972","DB02431","DB03685"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00567","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00249","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01190","DB01972","DB02431","DB03685"]},{"ID":"SMP00256","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00994","DB01972","DB02431","DB03685"]},{"ID":"SMP00291","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00254","DB01972","DB02431","DB03685"]},{"ID":"SMP00293","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00595","DB01972","DB02431","DB03685"]},{"ID":"SMP00711","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00684","DB01972","DB02431","DB03685"]},{"ID":"SMP00713","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01972","DB02431","DB03685","DB06696"]},{"ID":"SMP00726","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01301","DB01972","DB02431","DB03685"]},{"ID":"SMP00731","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01321","DB01972","DB02431","DB03685"]},{"ID":"SMP00243","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00357","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB0137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molecule","HalfLife":"","Description":"A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Promotes mental vigor, muscle coordination, and calm emotions. May also be of use in a minority of patients with hepatic encephalopathy and in some with phenylketonuria.","Toxicity":"Symptoms of hypoglycemia, increased mortality in ALS patients taking large doses of BCAAs.","MechanismOfAction":"(Applies to Valine, Leucine and Isoleucine) \u003cbr/\u003eThis group of essential amino acids are identified as the branched-chain amino acids, BCAAs. Because this arrangement of carbon atoms cannot be made by humans, these amino acids are an essential element in the diet. The catabolism of all three compounds initiates in muscle and yields NADH and FADH2 which can be utilized for ATP generation. The catabolism of all three of these amino acids uses the same enzymes in the first two steps. The first step in each case is a transamination using a single BCAA aminotransferase, with a-ketoglutarate as amine acceptor. As a result, three different a-keto acids are produced and are oxidized using a common branched-chain a-keto acid dehydrogenase, yielding the three different CoA derivatives. Subsequently the metabolic pathways diverge, producing many intermediates. \u003cbr/\u003eThe principal product from valine is propionylCoA, the glucogenic precursor of succinyl-CoA. Isoleucine catabolism terminates with production of acetylCoA and propionylCoA; thus isoleucine is both glucogenic and ketogenic. Leucine gives rise to acetylCoA and acetoacetylCoA, and is thus classified as strictly ketogenic. \u003cbr/\u003eThere are a number of genetic diseases associated with faulty catabolism of the BCAAs. The most common defect is in the branched-chain a-keto acid dehydrogenase. Since there is only one dehydrogenase enzyme for all three amino acids, all three a-keto acids accumulate and are excreted in the urine. The disease is known as Maple syrup urine disease because of the characteristic odor of the urine in afflicted individuals. Mental retardation in these cases is extensive. Unfortunately, since these are essential amino acids, they cannot be heavily restricted in the diet; ultimately, the life of afflicted individuals is short and development is abnormal The main neurological problems are due to poor formation of myelin in the CNS.","Pharmacodynamics":"L-valine is a branched-chain essential amino acid (BCAA) that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway. Valine is one of three branched-chain amino acids (the others are leucine and isoleucine) that enhance energy, increase endurance, and aid in muscle tissue recovery and repair. This group also lowers elevated blood sugar levels and increases growth hormone production. Supplemental valine should always be combined with isoleucine and leucine at a respective milligram ratio of 2:1:2. It is an essential amino acid found in proteins; important for optimal growth in infants and for growth in children and nitrogen balance in adults. The lack of L-valine may influence the growth of body, cause neuropathic obstacle, anaemia. It has wide applications in the field of pharmaceutical and food industry.","Absorption":"Absorbed from the small intestine by a sodium-dependent active-transport process.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00201","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00016","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00198","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00502","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00137","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00139","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00173","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00237","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00238","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00199","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00200","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00523","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00032","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00384","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00138","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00522","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00140","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00141","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00236","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00521","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00524","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]},{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]},{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]},{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]},{"ID":"SMP00251","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00778","DB01972","DB02431","DB03685"]},{"ID":"SMP00253","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00479","DB01972","DB02431","DB03685"]},{"ID":"SMP00258","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00919","DB01972","DB02431","DB03685"]},{"ID":"SMP00295","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00256","DB01972","DB02431","DB03685"]},{"ID":"SMP00728","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01627","DB01972","DB02431","DB03685"]},{"ID":"SMP00250","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00199","DB01972","DB02431","DB03685"]},{"ID":"SMP00252","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00976","DB01972","DB02431","DB03685"]},{"ID":"SMP00257","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00955","DB01972","DB02431","DB03685"]},{"ID":"SMP00294","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00759","DB01972","DB02431","DB03685"]},{"ID":"SMP00712","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00560","DB01972","DB02431","DB03685"]},{"ID":"SMP00714","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01421","DB01972","DB02431","DB03685"]},{"ID":"SMP00727","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00931","DB01972","DB02431","DB03685"]},{"ID":"SMP00249","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01190","DB01972","DB02431","DB03685"]},{"ID":"SMP00256","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00994","DB01972","DB02431","DB03685"]},{"ID":"SMP00291","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00254","DB01972","DB02431","DB03685"]},{"ID":"SMP00293","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","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A","DrugType":"small molecule","HalfLife":"1.9 hours","Description":"Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of carotenoids found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products. [PubChem]","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"For the treatment of vitamin A deficiency.","Toxicity":"Acute toxicity (single ingestion of 7 500 RE or 25 000 IU per kg or more): Signs and symptoms may be delayed for 8 to 24 hours and include: increased intracranial pressure, headache, irritability, drowsiness, dizziness, lethargy, vomiting, diarrhea, bulging of fontanels in infants, diplopia, papilledema. Peeling of skin around mouth may be observed from 1 to several days after ingestion and may spread to the rest of the body.\r\nChronic, excessive ingestion (1 200 RE or 4 000 IU/kg daily for 6 to 15 months) may produce symptoms of pseudotumor cerebri, anorexia, weakness, arthralgias, bone pain, bone demineralization, dry skin, cracked lips, brittle nails, hair loss, splenomegaly, hepatomegaly, hypoplastic anemia, leukopenia, optic neuropathy, and blindness. Increased plasma concentrations of vitamin A occur but do not necessarily correlate with toxicity.","MechanismOfAction":"Vision:Vitamin A (all-\u003ci\u003etrans\u003c/i\u003e retinol) is converted in the retina to the 11-\u003ci\u003ecis\u003c/i\u003e-isomer of retinaldehyde or 11-\u003ci\u003ecis\u003c/i\u003e-retinal. 11-\u003ci\u003ecis\u003c/i\u003e-retinal functions in the retina in the transduction of light into the neural signals necessary for vision. 11-\u003ci\u003ecis\u003c/i\u003e-retinal, while attached to opsin in rhodopsin is isomerized to all-\u003ci\u003etrans\u003c/i\u003e-retinal by light. This is the event that triggers the nerve impulse to the brain which allows for the perception of light. All-\u003ci\u003etrans\u003c/i\u003e-retinal is then released from opsin and reduced to all-\u003ci\u003etrans\u003c/i\u003e-retinol. All-\u003ci\u003etrans\u003c/i\u003e-retinol is isomerized to 11-\u003ci\u003ecis\u003c/i\u003e-retinol in the dark, and then oxidized to 11-\u003ci\u003ecis\u003c/i\u003e-retinal. 11-\u003ci\u003ecis\u003c/i\u003e-retinal recombines with opsin to re-form rhodopsin. Night blindness or defective vision at low illumination results from a failure to re-synthesize 11-\u003ci\u003ecis\u003c/i\u003e retinal rapidly. \u003cbr/\u003eEpithelial differentiation: The role of Vitamin A in epithelial differentiation, as well as in other physiological processes, involves the binding of Vitamin A to two families of nuclear retinoid receptors (retinoic acid receptors, RARs; and retinoid-X receptors, RXRs). These receptors function as ligand-activated transcription factors that modulate gene transcription. When there is not enough Vitamin A to bind these receptors, natural cell differentiation and growth are interrupted.","Pharmacodynamics":"Vitamin A is effective for the treatment of Vitamin A deficiency. Vitamin A refers to a group of fat-soluble substances that are structurally related to and possess the biological activity of the parent substance of the group called all-\u003ci\u003etrans\u003c/i\u003e retinol or retinol. Vitamin A plays vital roles in vision, epithelial differentiation, growth, reproduction, pattern formation during embryogenesis, bone development, hematopoiesis and brain development. It is also important for the maintenance of the proper functioning of the immune system.","Absorption":"Readily absorbed from the normal gastrointestinal tract","Interactions":[{"ID":"DB00459"},{"ID":"DB00307"},{"ID":"DB00982"},{"ID":"DB01083"},{"ID":"DB00755"}],"Salts":[{"ID":"DBSALT000855","Name":"Vitamin A palmitate"}],"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00163","Name":"Vitamin E","DrugType":"small molecule","HalfLife":"","Description":"A generic descriptor for all tocopherols and tocotrienols that exhibit alpha-tocopherol activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of isoprenoids. [PubChem]","Classification":{"Description":"This compound belongs to the tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain.","DirectParent":"Tocopherols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Quinone and Hydroquinone Lipids"},"Indication":"Vitamin E, known for its antioxidant activities, is protective against cardiovascular disease and some forms of cancer and has also demonstrated immune-enhancing effects. It may be of limited benefit in some with asthma and rheumatoid arthritis. It may be helpful in some neurological diseases including Alzheimer's, some eye disorders including cataracts, and diabetes and premenstrual syndrome. It may also help protect skin from ultraviolet irradiation although claims that it reverses skin aging, enhances male fertility and exercise performance are poorly supported. It may help relieve some muscle cramps.","Toxicity":"","MechanismOfAction":"Although all forms of Vitamin E exhibit antioxidant activity, it is known that the antioxidant activity of vitamin E is not sufficient to explain the vitamin's biological activity. \u003cbr/\u003eVitamin E's anti-atherogenic activity involves the inhibition of the oxidation of LDL and the accumulation of oxLDL in the arterial wall. It also appears to reduce oxLDL-induced apoptosis in human endothelial cells. Oxidation of LDL is a key early step in atherogenesis as it triggers a number of events which lead to the formation of atherosclerotic plaque. In addition, vitamin E inhibits protein kinase C (PKC) activity. PKC plays a role in smooth muscle cell proliferation, and, thus, the inhibition of PKC results in inhibition of smooth muscle cell proliferation, which is involved in atherogenesis. \u003cbr/\u003eVitamin E's antithrombotic and anticoagulant activities involves the downregulation of the expression of intracellular cell adhesion molecule(ICAM)-1 and vascular cell adhesion molecule(VCAM)-1 which lowers the adhesion of blood components to the endothelium. In addition, vitamin E upregulates the expression of cytosolic phospholipase A2 and cyclooxygenase (COX)-1 which in turn enhances the release of prostacyclin. Prostacyclin is a vasodilating factor and inhibitor of platelet aggregation and platelet release. It is also known that platelet aggregation is mediated by a mechanism involving the binding of fibrinogen to the glycoprotein IIb/IIIa (GPIIb/IIIa) complex of platelets. GPIIb/IIIa is the major membrane receptor protein that is key to the role of the platelet aggregation response. GPIIb is the alpha-subunit of this platelet membrane protein. Alpha-tocopherol downregulates GPIIb promoter activity which results in reduction of GPIIb protein expression and decreased platelet aggregation. Vitamin E has also been found in culture to decrease plasma production of thrombin, a protein which binds to platelets and induces aggregation. A metabolite of vitamin E called vitamin E quinone or alpha-tocopheryl quinone (TQ) is a potent anticoagulant. This metabolite inhibits vitamin K-dependent carboxylase, which is a major enzyme in the coagulation cascade.\u003cbr/\u003eThe neuroprotective effects of vitamin E are explained by its antioxidant effects. Many disorders of the nervous system are caused by oxidative stress. Vitamin E protects against this stress, thereby protecting the nervouse system. \u003cbr/\u003eThe immunomodulatory effects of Vitamin E have been demonstrated in vitro, where alpha-tocopherol increases mitogenic response of T lymphocytes from aged mice. The mechanism of this response by vitamin E is not well understood, however it has been suggested that vitamin E itself may have mitogenic activity independent of its antioxidant activity. \u003cbr/\u003eLastly, the mechanism of action of vitamin E's antiviral effects (primarily against HIV-1) involves its antioxidant activity. Vitamin E reduces oxidative stress, which is thought to contribute to HIV-1 pathogenesis, as well as to the pathogenesis of other viral infections. Vitamin E also affects membrane integrity and fluidity and, since HIV-1 is a membraned virus, altering membrane fluidity of HIV-1 may interfere with its ability to bind to cell-receptor sites, thus decreasing its infectivity.","Pharmacodynamics":"Vitamin E has antioxidant activity. It may also have anti-atherogenic, antithrombotic, anticoagulant, neuroprotective, antiviral, immunomodulatory, cell membrane-stabilizing and antiproliferative actions. Vitamin E is a collective term used to describe eight separate forms, the best-known form being alpha-tocopherol. Vitamin E is a fat-soluble vitamin and is an important antioxidant. It acts to protect cells against the effects of free radicals, which are potentially damaging by-products of the body's metabolism. Vitamin E is often used in skin creams and lotions because it is believed to play a role in encouraging skin healing and reducing scarring after injuries such as burns. There are three specific situations when a vitamin E deficiency is likely to occur. It is seen in persons who cannot absorb dietary fat, has been found in premature, very low birth weight infants (birth weights less than 1500 grams, or 3\u0026frac12; pounds), and is seen in individuals with rare disorders of fat metabolism. A vitamin E deficiency is usually characterized by neurological problems due to poor nerve conduction. Symptoms may include infertility, neuromuscular impairment, menstrual problems, miscarriage and uterine degradation. Preliminary research has led to a widely held belief that vitamin E may help prevent or delay coronary heart disease. Antioxidants such as vitamin E help protect against the damaging effects of free radicals, which may contribute to the development of chronic diseases such as cancer. It also protects other fat-soluble vitamins (A and B group vitamins) from destruction by oxygen. Low levels of vitamin E have been linked to increased incidence of breast and colon cancer.","Absorption":"50 to 80% absorbed from gastrointestinal tract.","Interactions":[{"ID":"DB00701"},{"ID":"DB01083"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00165","Name":"Pyridoxine","DrugType":"small molecule","HalfLife":"15-20 days","Description":"Pyridoxine is the 4-methanol form of vitamin B6 and is converted to pyridoxal 5-phosphate in the body. Pyridoxal 5-phosphate is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. Although pyridoxine and vitamin B6 are still frequently used as synonyms, especially by medical researchers, this practice is erroneous and sometimes misleading. [PubChem]","Classification":{"Description":"This compound belongs to the pyridoxines. These are pyridoxal derivatives in which the carbaldehyde group at position 2 of the pyridoxal moiety is replaced by an hydroxymethyl group.","DirectParent":"Pyridoxines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridoxines"},"Indication":"For the treatment of vitamin B6 deficiency and for the prophylaxis of isoniazid-induced peripheral neuropathy.","Toxicity":"Oral Rat LD50 = 4 gm/kg. Toxic effects include convulsions, dyspnea, hypermotility, diarrhea, ataxia and muscle weakness.","MechanismOfAction":"Vitamin B6 is the collective term for a group of three related compounds, pyridoxine (PN), pyridoxal (PL) and pyridoxamine (PM), and their phosphorylated derivatives, pyridoxine 5'-phosphate (PNP), pyridoxal 5'-phosphate (PLP) and pyridoxamine 5'-phosphate (PMP). Although all six of these compounds should technically be referred to as vitamin B6, the term vitamin B6 is commonly used interchangeably with just one of them, pyridoxine. Vitamin B6, principally in its biologically active coenzyme form pyridoxal 5'-phosphate, is involved in a wide range of biochemical reactions, including the metabolism of amino acids and glycogen, the synthesis of nucleic acids, hemogloblin, sphingomyelin and other sphingolipids, and the synthesis of the neurotransmitters serotonin, dopamine, norepinephrine and gamma-aminobutyric acid (GABA).","Pharmacodynamics":"Vitamin B6 (pyridoxine) is a water-soluble vitamin used in the prophylaxis and treatment of vitamin B6 deficiency and peripheral neuropathy in those receiving isoniazid (isonicotinic acid hydrazide, INH). Vitamin B6 has been found to lower systolic and diastolic blood pressure in a small group of subjects with essential hypertension. Hypertension is another risk factor for atherosclerosis and coronary heart disease. Another study showed pyridoxine hydrochloride to inhibit ADP- or epinephrine-induced platelet aggregation and to lower total cholesterol levels and increase HDL-cholesterol levels, again in a small group of subjects. Vitamin B6, in the form of pyridoxal 5'-phosphate, was found to protect vascular endothelial cells in culture from injury by activated platelets. Endothelial injury and dysfunction are critical initiating events in the pathogenesis of atherosclerosis. Human studies have demonstrated that vitamin B6 deficiency affects cellular and humoral responses of the immune system. Vitamin B6 deficiency results in altered lymphocyte differentiation and maturation, reduced delayed-type hypersensitivity (DTH) responses, impaired antibody production, decreased lymphocyte proliferation and decreased interleukin (IL)-2 production, among other immunologic activities.","Absorption":"The B vitamins are readily absorbed from the gastrointestinal tract, except in malabsorption syndromes. Pyridoxine is absorbed mainly in the jejunum.","Interactions":null,"Salts":[{"ID":"DBSALT000151","Name":"Pyridoxine hydrochloride"}],"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00166","Name":"Lipoic Acid","DrugType":"small molecule","HalfLife":"","Description":"A vitamin-like antioxidant. [PubChem]","Classification":{"Description":"This compound belongs to the lipoic acid derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consistis of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.","DirectParent":"Lipoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dithiolanes","SubClass":"Lipoic Acid Derivatives"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance.","Toxicity":"","MechanismOfAction":"Lipoic Acid is generally involved in oxidative decarboxylations of keto acids and is presented as a growth factor for some organisms. Lipoic acid exists as two enantiomers, the R-enantiomer and the S-enantiomer. Normally only the R-enantiomer of an amino acid is biologically active, but for lipoic acid the S-enantiomer assists in the reduction of the R-enantiomer when a racemic mixture is given. Some recent studies have suggested that the S-enantiomer in fact has an inhibiting effect on the R-enantiomer, reducing its biological activity substantially and actually adding to oxidative stress rather than reducing it. Furthermore, the S-enantiomer has been found to reduce the expression of GLUT-4s in cells, responsible for glucose uptake, and hence reduce insulin sensitivity.","Pharmacodynamics":"Lipoic acid (or \u0026alpha;-lipoic acid) is able to pass the blood-brain barrier and is putatively used for detoxification of mercury attached to the brain cells. It can mobilise bound mercury into the blood stream as it is a mercaptan (sulfur compound which readily binds to the mercury). In the blood stream, another chelator such as dimercaptosuccinic acid (DMSA) or methylsulfonylmethane (MSM) is used to transfer mercury safely into the urine for excretion. Neither DMSA nor MSM can cross the blood-brain barrier, which is why both lipoic acid and DMSA are used. It is hypothesized that this treatment-along with carnitine, dimethylglycine (DMG), Vitamin B6, folic acid, and magnesium\u0026mdash;could be used to treat autism and amalgam poisoning. In this hypothesis, the reason why autism is difficult to treat is that mercury is attached to the brain cells and most medicines and vitamin supplements do not penetrate the blood-brain barrier. However, \u0026alpha;-lipoic acid and perhaps vitamin B12 could making it possible for other chelators to remove mercury safely out of the body and could perhaps one day be used as a treatment for autism. Because lipoic acid is related to cellular uptake of glucose and it is both soluble in water and fat, it is being used for treatment in diabetes. It may be helpful for people with Alzheimer's disease or Parkinson's disease.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00167","Name":"L-Isoleucine","DrugType":"small molecule","HalfLife":"","Description":"An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of leucine. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"The branched-chain amino acids may have antihepatic encephalopathy activity in some. They may also have anticatabolic and antitardive dyskinesia activity.","Toxicity":"Symptoms of hypoglycemia, increased mortality in ALS patients taking large doses of BCAAs","MechanismOfAction":"(Applies to Valine, Leucine and Isoleucine) \u003cbr/\u003eThis group of essential amino acids are identified as the branched-chain amino acids, BCAAs. Because this arrangement of carbon atoms cannot be made by humans, these amino acids are an essential element in the diet. The catabolism of all three compounds initiates in muscle and yields NADH and FADH2 which can be utilized for ATP generation. The catabolism of all three of these amino acids uses the same enzymes in the first two steps. The first step in each case is a transamination using a single BCAA aminotransferase, with a-ketoglutarate as amine acceptor. As a result, three different a-keto acids are produced and are oxidized using a common branched-chain a-keto acid dehydrogenase, yielding the three different CoA derivatives. Subsequently the metabolic pathways diverge, producing many intermediates. \u003cbr/\u003eThe principal product from valine is propionylCoA, the glucogenic precursor of succinyl-CoA. Isoleucine catabolism terminates with production of acetylCoA and propionylCoA; thus isoleucine is both glucogenic and ketogenic. Leucine gives rise to acetylCoA and acetoacetylCoA, and is thus classified as strictly ketogenic. \u003cbr/\u003eThere are a number of genetic diseases associated with faulty catabolism of the BCAAs. The most common defect is in the branched-chain a-keto acid dehydrogenase. Since there is only one dehydrogenase enzyme for all three amino acids, all three a-keto acids accumulate and are excreted in the urine. The disease is known as Maple syrup urine disease because of the characteristic odor of the urine in afflicted individuals. Mental retardation in these cases is extensive. Unfortunately, since these are essential amino acids, they cannot be heavily restricted in the diet; ultimately, the life of afflicted individuals is short and development is abnormal The main neurological problems are due to poor formation of myelin in the CNS.","Pharmacodynamics":"They provide ingredients for the manufacturing of other essential biochemical components in the body, some of which are utilized for the production of energy, stimulants to the upper brain and helping you to be more alert.","Absorption":"Absorbed from the small intestine by a sodium-dependent active-transport process","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00137","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00139","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00173","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00237","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00238","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00199","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00200","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00523","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00140","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00141","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00236","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00521","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00524","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00032","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00384","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00138","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00522","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]},{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]},{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]},{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]},{"ID":"SMP00251","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00778","DB01972","DB02431","DB03685"]},{"ID":"SMP00253","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00479","DB01972","DB02431","DB03685"]},{"ID":"SMP00258","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00919","DB01972","DB02431","DB03685"]},{"ID":"SMP00295","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00256","DB01972","DB02431","DB03685"]},{"ID":"SMP00728","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01627","DB01972","DB02431","DB03685"]},{"ID":"SMP00250","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00199","DB01972","DB02431","DB03685"]},{"ID":"SMP00252","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00976","DB01972","DB02431","DB03685"]},{"ID":"SMP00257","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00955","DB01972","DB02431","DB03685"]},{"ID":"SMP00294","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00759","DB01972","DB02431","DB03685"]},{"ID":"SMP00712","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00560","DB01972","DB02431","DB03685"]},{"ID":"SMP00714","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01421","DB01972","DB02431","DB03685"]},{"ID":"SMP00727","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00931","DB01972","DB02431","DB03685"]},{"ID":"SMP00262","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00453","DB01972","DB02431","DB03685"]},{"ID":"SMP00248","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01211","DB01972","DB02431","DB03685"]},{"ID":"SMP00255","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01172","DB01972","DB02431","DB03685"]},{"ID":"SMP00290","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00618","DB01972","DB02431","DB03685"]},{"ID":"SMP00292","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01017","DB01972","DB02431","DB03685"]},{"ID":"SMP00730","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01361","DB01972","DB02431","DB03685"]},{"ID":"SMP00249","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01190","DB01972","DB02431","DB03685"]},{"ID":"SMP00256","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00994","DB01972","DB02431","DB03685"]},{"ID":"SMP00291","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00254","DB01972","DB02431","DB03685"]},{"ID":"SMP00293","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00595","DB01972","DB02431","DB03685"]},{"ID":"SMP00711","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00684","DB01972","DB02431","DB03685"]},{"ID":"SMP00713","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01972","DB02431","DB03685","DB06696"]},{"ID":"SMP00726","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01301","DB01972","DB02431","DB03685"]},{"ID":"SMP00731","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01321","DB01972","DB02431","DB03685"]}]},{"ID":"DB00168","Name":"Aspartame","DrugType":"small molecule","HalfLife":"At room temperature, aspartame is most stable at pH 4.3, where its half-life is nearly 300 days. At pH 7 however, its half-life is only a few days.","Description":"Flavoring agent sweeter than sugar, metabolized as phenylalanine and aspartic acid. [PubChem]","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used as a diet supplement and sugar substitute.","Toxicity":"Mild gastrointestinal side effects including diarrhea have been reported.","MechanismOfAction":"180 to 200 times sweeter than sucrose, it is metabolized as a protein and its subsequent amino-acids used up in there respective mechanisms.","Pharmacodynamics":"Aspartame (L-alpha-aspartyl-L-phenylalanine methyl ester) is a low-calorie sweetener used to sweeten a wide variety of low- and reduced-calorie foods and beverages, including low-calorie tabletop sweeteners. Aspartame is composed of two amino acids, aspartic acid and phenylalanine, as the methyl ester. Aspartic acid and phenylalanine are also found naturally in protein containing foods, including meats, grains and dairy products. Methyl esters are also found naturally in many foods such as fruits and vegetable and their juices. Upon digestion, aspartame breaks down into three components (aspartic acid, phenylalanine and methanol), which are then absorbed into the blood and used in normal body processes. Neither aspartame nor its components accumulates in the body. These components are used in the body in the same ways as when they are derived from common foods.","Absorption":"Absorbed in the small intestine, aspartame is metabolized and absorbed very quickly.","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00169","Name":"Cholecalciferol","DrugType":"small molecule","HalfLife":"Several weeks","Description":"Derivative of 7-dehydroxycholesterol formed by ultraviolet rays breaking of the C9-C10 bond. It differs from ergocalciferol in having a single bond between C22 and C23 and lacking a methyl group at C24. [PubChem]","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"For the treatment of vitamin D deficiency or insufficiency, refractory rickets (vitamin D resistant rickets), familial hypophosphatemia and hypoparathyroidism, and in the management of hypocalcemia and renal osteodystrophy in patients with chronic renal failure undergoing dialysis. Also used in conjunction with calcium in the management and prevention of primary or corticosteroid-induced osteoporosis.","Toxicity":"Hypercalcemia - Early symptoms of hypercalcemia, include nausea and vomiting, weakness, headache, somnolence, dry mouth, constipation, metallic taste, muscle pain and bone pain. Late symptoms and signs of hypercalcemia, include polyuria, polydipsia, anorexia, weight loss, nocturia, conjunctivitis, pancreatitis, photophobia, rhinorrhea, pruritis, hyperthermia, decreased libido, elevated BUN, albuminuria, hypercholesterolemia, elevated ALT (SGPT) and AST (SGOT), ectopic calcification, nephrocalcinosis, hypertension and cardiac arrhythmias.","MechanismOfAction":"The first step involved in the activation of vitamin D3 is a 25-hydroxylation which is catalysed by the 25-hydroxylase in the liver and then by other enzymes. The mitochondrial sterol 27-hydroxylase catalyses the first reaction in the oxidation of the side chain of sterol intermediates. The active form of vitamin D3 (calcitriol) binds to intracellular receptors that then function as transcription factors to modulate gene expression. Like the receptors for other steroid hormones and thyroid hormones, the vitamin D receptor has hormone-binding and DNA-binding domains. The vitamin D receptor forms a complex with another intracellular receptor, the retinoid-X receptor, and that heterodimer is what binds to DNA. In most cases studied, the effect is to activate transcription, but situations are also known in which vitamin D suppresses transcription. Calcitriol increases the serum calcium concentrations by: increasing GI absorption of phosphorus and calcium, increasing osteoclastic resorption, and increasing distal renal tubular reabsorption of calcium. Calcitriol appears to promote intestinal absorption of calcium through binding to the vitamin D receptor in the mucosal cytoplasm of the intestine. Subsequently, calcium is absorbed through formation of a calcium-binding protein.","Pharmacodynamics":"Cholecalciferol (vitamin D3) is a steroid hormone that has long been known for its important role in regulating body levels of calcium and phosphorus, in mineralization of bone, and for the assimilation of Vitamin A. The classical manifestations of vitamin D deficiency is rickets, which is seen in children and results in bony deformaties including bowed long bones. Deficiency in adults leads to the disease osteomalacia. Both rickets and osteomalacia reflect impaired mineralization of newly synthesized bone matrix, and usually result from a combination of inadequate exposure to sunlight and decreased dietary intake of vitamin D. Common causes of vitamin D deficiency include genetic defects in the vitamin D receptor, severe liver or kidney disease, and insufficient exposure to sunlight. Vitamin D plays an important role in maintaining calcium balance and in the regulation of parathyroid hormone (PTH). It promotes renal reabsorption of calcium, increases intestinal absorption of calcium and phosphorus, and increases calcium and phosphorus mobilization from bone to plasma.","Absorption":"Readily absorbed","Interactions":[{"ID":"DB01436"},{"ID":"DB06723"},{"ID":"DB02300"},{"ID":"DB00136"},{"ID":"DB01432"},{"ID":"DB00930"},{"ID":"DB00375"},{"ID":"DB06410"},{"ID":"DB00153"},{"ID":"DB01083"},{"ID":"DB00910"},{"ID":"DB00364"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00387","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00131","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00386","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00508","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00119","Drugs":["DB00169","DB01095","DB01592","DB02552","DB04540"]},{"ID":"SMP00319","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00510","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00389","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00511","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00023","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00095","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00111","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00388","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00209","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00509","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00107","Drugs":["DB00169","DB00399","DB01592","DB02552","DB04540"]},{"ID":"SMP00079","Drugs":["DB00169","DB00710","DB01592","DB02552","DB04540"]},{"ID":"SMP00089","Drugs":["DB00169","DB00175","DB01592","DB02552","DB04540"]},{"ID":"SMP00112","Drugs":["DB00169","DB00884","DB01592","DB02552","DB04540"]},{"ID":"SMP00082","Drugs":["DB00169","DB00641","DB01592","DB02552","DB04540"]},{"ID":"SMP00092","Drugs":["DB00169","DB01098","DB01592","DB02552","DB04540"]},{"ID":"SMP00117","Drugs":["DB00169","DB00282","DB01592","DB02552","DB04540"]},{"ID":"SMP00099","Drugs":["DB00169","DB00227","DB01592","DB02552","DB04540"]}]},{"ID":"DB00170","Name":"Menadione","DrugType":"small molecule","HalfLife":"","Description":"A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. [PubChem]","Classification":{"Description":"This compound belongs to the naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring fused to a bezene-1,4-dione (quinone).","DirectParent":"Naphthoquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"The primary known function of vitamin K is to assist in the normal clotting of blood, but it may also play a role in normal bone calcification.","Toxicity":"Menadione (vitamin K3), which is not used as a nutritional supplemental form of vitamin K for humans, has been reported to cause adverse reactions, including hemolytic anemia. Large doses have also been reported to cause brain damage.","MechanismOfAction":"Menadione (vitamin K3) is involved as a cofactor in the posttranslational gamma-carboxylation of glutamic acid residues of certain proteins in the body. These proteins include the vitamin K-dependent coagulation factors II (prothrombin), VII (proconvertin), IX (Christmas factor), X (Stuart factor), protein C, protein S, protein Zv and a growth-arrest-specific factor (Gas6). In contrast to the other vitamin K-dependent proteins in the blood coagulation cascade, protein C and protein S serve anticoagulant roles. The two vitamin K-dependent proteins found in bone are osteocalcin, also known as bone G1a (gamma-carboxyglutamate) protein or BGP, and the matrix G1a protein or MGP. Gamma-carboxylation is catalyzed by the vitamin K-dependent gamma-carboxylases. The reduced form of vitamin K, vitamin K hydroquinone, is the actual cofactor for the gamma-carboxylases. Proteins containing gamma-carboxyglutamate are called G1a proteins.","Pharmacodynamics":"Menadione (Vitamin K3) is a fat-soluble vitamin precursor that is converted into menaquinone in the liver. Vitamin K1 and K2 are the naturally occurring types of vitamin K. The former, which is also known as phylloquinone, is synthesized by plants and can be found in such foods as spinach, broccoli, lettuce, and soybeans. The latter, sometimes alternatively referred to as menaquinone, is primarily produced by bacteria in the anterior part of the gut and the intestines. Vitamin K3, on the other hand, is one of the many manmade versions of vitamin K. Also called menadione, this yellowish, synthetic crystalline substance is converted into the active form of the K2 vitamin inside of the animal body. While a vitamin K deficiency can be dangerous, especially to infants that may easily suffer from extensive hemorrhaging, an overdose can be as equally detrimental. Newborns that are administered too great a dosage of vitamin K3 can suffer from kernicterus, a form of severe brain damage that may produce decreased movement, loss of appetite, seizures, deafness, mental retardation, and even death. This condition is associated with an abnormally high concentration of bilirubin, a bile pigment, in the tissues of the brain, which can be caused by the presence of K3. For this reason, K3 is less often utilized medically than it was in former times.","Absorption":"Variable and ranges from 10% to 80%","Interactions":null,"Salts":[{"ID":"DBSALT000878","Name":"Menadiol diphosphate"}],"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00171","Name":"Adenosine triphosphate","DrugType":"small molecule","HalfLife":"","Description":"An adenine nucleotide containing three phosphate groups esterified to the sugar moiety. In addition to its crucial roles in metabolism adenosine triphosphate is a neurotransmitter. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is \u003e 2 g/kg.","MechanismOfAction":"ATP is able to store and transport chemical energy within cells. ATP also plays an important role in the synthesis of nucleic acids. ATP can be produced by various cellular processes, most typically in mitochondria by oxidative phosphorylation under the catalytic influence of ATP synthase. The total quantity of ATP in the human body is about 0.1 mole. The energy used by human cells requires the hydrolysis of 200 to 300 moles of ATP daily. This means that each ATP molecule is recycled 2000 to 3000 times during a single day. ATP cannot be stored, hence its consumption must closely follow its synthesis.","Pharmacodynamics":"Adenosine triphosphate (ATP) is the nucleotide known in biochemistry as the \"molecular currency\" of intracellular energy transfer; that is, ATP is able to store and transport chemical energy within cells. ATP also plays an important role in the synthesis of nucleic acids. The total quantity of ATP in the human body is about 0.1 mole. The energy used by human cells requires the hydrolysis of 200 to 300 moles of ATP daily. This means that each ATP molecule is recycled 2000 to 3000 times during a single day. ATP cannot be stored, hence its consumption must closely follow its synthesis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00172","Name":"L-Proline","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid that is synthesized from glutamic acid. It is an essential component of collagen and is important for proper functioning of joints and tendons. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"L-Proline is extremely important for the proper functioning of joints and tendons and also helps maintain and strengthen heart muscles.","Toxicity":"","MechanismOfAction":"Glycogenic, by L-Proline oxidase in the kidney, it is ring-opened and is oxidized to form L-Glutamic acid. L-Ornithine and L-Glutamic acid are converted to L-Proline via L-Glutamic acid-gamma-semialdehyde. It is contained abundantly in collagen, and is intimately involved in the function of arthrosis and chordae.","Pharmacodynamics":"L-Proline is a major amino acid found in cartilage and is important for maintaining youthful skin as well as repair of muscle, connective tissue and skin damage. It is also essential for the immune system, and for necessary balance of this formula. It is an essential component of collagen and is important for proper functioning of joints and tendons. L-Proline is extremely important for the proper functioning of joints and tendons. Helps maintain and strengthen heart muscles.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]},{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]},{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]},{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]},{"ID":"SMP00360","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00262","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00453","DB01972","DB02431","DB03685"]},{"ID":"SMP00248","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01211","DB01972","DB02431","DB03685"]},{"ID":"SMP00255","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01172","DB01972","DB02431","DB03685"]},{"ID":"SMP00290","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00618","DB01972","DB02431","DB03685"]},{"ID":"SMP00292","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01017","DB01972","DB02431","DB03685"]},{"ID":"SMP00730","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01361","DB01972","DB02431","DB03685"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00020","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00251","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00778","DB01972","DB02431","DB03685"]},{"ID":"SMP00253","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00479","DB01972","DB02431","DB03685"]},{"ID":"SMP00258","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00919","DB01972","DB02431","DB03685"]},{"ID":"SMP00295","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00256","DB01972","DB02431","DB03685"]},{"ID":"SMP00728","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01627","DB01972","DB02431","DB03685"]},{"ID":"SMP00362","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00507","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00363","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00249","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01190","DB01972","DB02431","DB03685"]},{"ID":"SMP00256","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00994","DB01972","DB02431","DB03685"]},{"ID":"SMP00291","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00254","DB01972","DB02431","DB03685"]},{"ID":"SMP00293","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00595","DB01972","DB02431","DB03685"]},{"ID":"SMP00711","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00684","DB01972","DB02431","DB03685"]},{"ID":"SMP00713","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01972","DB02431","DB03685","DB06696"]},{"ID":"SMP00726","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01301","DB01972","DB02431","DB03685"]},{"ID":"SMP00731","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01321","DB01972","DB02431","DB03685"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00250","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00199","DB01972","DB02431","DB03685"]},{"ID":"SMP00252","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00976","DB01972","DB02431","DB03685"]},{"ID":"SMP00257","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00955","DB01972","DB02431","DB03685"]},{"ID":"SMP00294","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00759","DB01972","DB02431","DB03685"]},{"ID":"SMP00712","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00560","DB01972","DB02431","DB03685"]},{"ID":"SMP00714","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01421","DB01972","DB02431","DB03685"]},{"ID":"SMP00727","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00931","DB01972","DB02431","DB03685"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]}]},{"ID":"DB00173","Name":"Adenine","DrugType":"small molecule","HalfLife":"","Description":"A purine base and a fundamental unit of adenine nucleotides. [PubChem]","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For nutritional supplementation, also for treating dietary shortage or imbalance","Toxicity":"","MechanismOfAction":"Adenine forms adenosine, a nucleoside, when attached to ribose, and deoxyadenosine when attached to deoxyribose, and it forms adenosine triphosphate (ATP), a nucleotide, when three phosphate groups are added to adenosine. Adenosine triphosphate is used in cellular metabolism as one of the basic methods of transferring chemical energy between reactions. In older literature, adenine was sometimes called Vitamin B4Not Available","Pharmacodynamics":"Adenine (sometimes known as vitamin B4) combines with the sugar ribose to form adenosine, which in turn can be bonded with from one to three phosphoric acid units, yielding AMP, ADP and ATP . These adenine derivatives perform important functions in cellular metabolism. Adenine is one of four nitrogenous bases utilized in the synthesis of nucleic acids. A modified form of adenosine monophosphate (cyclic AMP) is an imporant secondary messenger in the propagation of many hormonal stimuli. Adenine is an integral part of the structure of many coenzymes. Adenosine (adenine with a ribose group) causes transient heart block in the AV node of the heart. In individuals suspected of suffering from a supraventricular tachycardia (SVT), adenosine is used to help identify the rhythm. Certain SVTs can be successfully terminated with adenosine.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00174","Name":"L-Asparagine","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from aspartic acid and ammonia by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed)","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used for nutritional supplementation, also for treating dietary shortage or imbalance.","Toxicity":"","MechanismOfAction":"Asparagine, a non-essential amino acid is important in the metabolism of toxic ammonia in the body through the action of asparagine synthase which attaches ammonia to aspartic acid in an amidation reaction. Asparagine is also used as a structural component in many proteins.","Pharmacodynamics":"A non-essential amino acid. Asparagine is critical for the production of the body's proteins, enzymes and muscle tissue. Supplements of this amino acid are claimed to balance nervous system function.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00175","Name":"Pravastatin","DrugType":"small molecule","HalfLife":"77 hours","Description":"Pravastatin is a cholesterol-lowering agent that belongs to a class of medications known as statins. It was derived from microbial transformation of mevastatin, the first statin discovered. It is a ring-opened dihydroxyacid with a 6’-hydroxyl group that does not require \u003ci\u003ein vivo\u003c/i\u003e activation. Pravastatin is one of the lower potency statins; however, its increased hydrophilicity is thought to confer advantages such as minimal penetration through lipophilic membranes of peripheral cells, increased selectivity for hepatic tissues, and a reduction in side effects compared with lovastatin and simvastatin. ","Classification":{"Description":"This compound belongs to the carbocyclic fatty acids. These are fatty acids contaning a carbocylic ring .","DirectParent":"Carbocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Carbocyclic Fatty Acids"},"Indication":"For the treatment of hypercholesterolemia and to reduce the risk of cardiovascular disease. ","Toxicity":"Side effects include diarrhea, nausea, constipation, gas abdominal pain, myopathy, myositis, rhabdomyolysis, and hepatotoxicity. LD\u003csub\u003e50\u003c/sub\u003e= 12,000 mg/kg (orally in rat)","MechanismOfAction":"Pravastatin is structurally similar to the HMG, a substituent of the endogenous substrate of HMG-CoA reductase. Unlike its parent compound, mevastatin, and statins such as lovastatin and simvastatin, pravastatin does not need to be activated \u003ci\u003ein vivo\u003c/i\u003e. Its hydrolyzed lactone ring mimics the tetrahedral intermediate produced by the reductase allowing the agent to bind with a much greater affinity than its natural substrate. The bicyclic portion of pravastatin binds to the coenzyme A portion of the active site. Pravastatin sodium produces its lipid-lowering effect in two ways. First, as a consequence of its reversible inhibition of HMG-CoA reductase activity, it effects modest reductions in intracellular pools of cholesterol. This results in an increase in the number of LDL-receptors on cell surfaces and enhanced receptor-mediated catabolism and clearance of circulating LDL. Second, pravastatin inhibits LDL production by inhibiting hepatic synthesis of VLDL, the LDL precursor.","Pharmacodynamics":"The primary cause of cardiovascular (CV) disease is atherosclerotic plaque formation and sustained elevation of cholesterol in the blood increases the risk of CV disease. Pravastatin lowers hepatic production of cholesterol by competitively inhibiting HMG-CoA reductase, the enzyme that catalyzes the rate-limiting step in the cholesterol biosynthesis pathway via the mevalonic acid pathway. Decreased hepatic cholesterol levels causes increased uptake of low density lipoprotein (LDL) cholesterol and reduces cholesterol levels in the circulation. Pravastatin also inhibits hepatic synthesis if VLDL. At therapeutic doses, pravastatin lowers LDL cholesterol by 20-30%, increase high density lipoprotein (HDL) cholesterol by 3-10%, and decrease plasma triglycerides by 19-34%. HDL cholesterol is thought to confer protective effects against CV disease, whereas high LDL and triglyceride levels are associated with higher risk of disease. ","Absorption":"Pravastatin is rapidly absorbed with peak plasma levels of the parent compound achieved 1 to 1.5 hours after administration. The average oral absorption of pravastatin is 34% and absolute bioavailability is 17%. These values however, are variable. Food decreases the systemic bioavailability but the lipid-lowering effect is not impacted. When 20 mg of pravastatin is given orally, the pharmacokinetic parameters are as follows: Cmax = 23.3-26.3 ng/mL; AUC = 54.7 to 62.2 ng•hr/mL. ","Interactions":[{"ID":"DB01393"},{"ID":"DB08873"},{"ID":"DB01394"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB01039"},{"ID":"DB01241"},{"ID":"DB00912"},{"ID":"DB00932"}],"Salts":[{"ID":"DBSALT000146","Name":"Pravastatin Sodium "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00089","Drugs":["DB00169","DB00175","DB01592","DB02552","DB04540"]}]},{"ID":"DB00176","Name":"Fluvoxamine","DrugType":"small molecule","HalfLife":"15.6 hours","Description":"Fluvoxamine is an antidepressant which functions pharmacologically as a selective serotonin reuptake inhibitor. Though it is in the same class as other SSRI drugs, it is most often used to treat obsessive-compulsive disorder.\r\nFluvoxamine has been in use in clinical practice since 1983 and has a clinical trial database comprised of approximately 35,000 patients. It was launched in the US in December 1994 and in Japan in June 1999. As of the end of 1995, more than 10 million patients worldwide have been treated with fluvoxamine.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For management of depression and for Obsessive Compulsive Disorder (OCD). Has also been used in the management of bulimia nervosa.","Toxicity":"Side effects include anorexia, constipation, dry mouth, headache, nausea, nervousness, skin rash, sleep problems, somnolence, liver toxicity, mania, increase urination, seizures, sweating increase, tremors, or Tourette's syndrome.","MechanismOfAction":"The exact mechanism of action of fluvoxamine has not been fully determined, but appears to be linked to its inhibition of CNS neuronal uptake of serotonin. Fluvoxamine blocks the reuptake of serotonin at the serotonin reuptake pump of the neuronal membrane, enhancing the actions of serotonin on 5HT\u003csub\u003e1A\u003c/sub\u003e autoreceptors. In-vitro studies suggest that fluvoxamine is more potent than clomipramine, fluoxetine, and desipramine as a serotonin-reuptake inhibitor. Studies have also demonstrated that fluvoxamine has virtually no affinity for α\u003csub\u003e1\u003c/sub\u003e- or α\u003csub\u003e2\u003c/sub\u003e-adrenergic, β-adrenergic, muscarinic, dopamine D\u003csub\u003e2\u003c/sub\u003e, histamine H\u003csub\u003e1\u003c/sub\u003e, GABA-benzodiazepine, opiate, 5-HT\u003csub\u003e1\u003c/sub\u003e, or 5-HT\u003csub\u003e2\u003c/sub\u003e receptors.","Pharmacodynamics":"Fluvoxamine, an aralkylketone-derivative agent, is one of a class of antidepressants known as selective serotonin reuptake inhibitors (SSRIs) that differs structurally from other SSRIs. It is used to treat the depression associated with mood disorders. It is also used on occassion in the treatment of body dysmorphic disorder and anxiety. The antidepressant, antiobsessive-compulsive, and antibulimic actions of Fluvoxamine are presumed to be linked to its inhibition of CNS neuronal uptake of serotonin. \u003ci\u003eIn vitro\u003c/i\u003e studies show that Fluvoxamine is a potent and selective inhibitor of neuronal serotonin reuptake and has only very weak effects on norepinephrine and dopamine neuronal reuptake. Fluvoxamine has no significant affinity for adrenergic (alpha1, alpha2, beta), cholinergic, GABA, dopaminergic, histaminergic, serotonergic (5HT\u003csub\u003e1A\u003c/sub\u003e, 5HT\u003csub\u003e1B\u003c/sub\u003e, 5HT\u003csub\u003e2\u003c/sub\u003e), or benzodiazepine receptors; antagonism of such receptors has been hypothesized to be associated with various anticholinergic, sedative, and cardiovascular effects for other psychotropic drugs. The chronic administration of Fluvoxamine was found to downregulate brain norepinephrine receptors, as has been observed with other drugs effective in the treatment of major depressive disorder. Fluvoxamine does not inhibit monoamine oxidase.","Absorption":"Well absorbed, bioavailability of fluvoxamine maleate is 53%.","Interactions":[{"ID":"DB01418"},{"ID":"DB00918"},{"ID":"DB01223"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00182"},{"ID":"DB01125"},{"ID":"DB06216"},{"ID":"DB00637"},{"ID":"DB06769"},{"ID":"DB00865"},{"ID":"DB00564"},{"ID":"DB00395"},{"ID":"DB01166"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00266"},{"ID":"DB00937"},{"ID":"DB00320"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00651"},{"ID":"DB00216"},{"ID":"DB06210"},{"ID":"DB06210"},{"ID":"DB00696"},{"ID":"DB00754"},{"ID":"DB00574"},{"ID":"DB01320"},{"ID":"DB00998"},{"ID":"DB01381"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB01009"},{"ID":"DB00601"},{"ID":"DB01356"},{"ID":"DB00579"},{"ID":"DB00532"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB01577"},{"ID":"DB00379"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB00540"},{"ID":"DB00334"},{"ID":"DB01303"},{"ID":"DB00497"},{"ID":"DB01579"},{"ID":"DB00780"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00252"},{"ID":"DB00344"},{"ID":"DB00980"},{"ID":"DB01367"},{"ID":"DB00953"},{"ID":"DB01656"},{"ID":"DB00268"},{"ID":"DB00296"},{"ID":"DB01037"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB00382"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00730"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB01600"},{"ID":"DB00697"},{"ID":"DB00500"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00285"},{"ID":"DB00682"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000879","Name":"Fluvoxamine maleate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00177","Name":"Valsartan","DrugType":"small molecule","HalfLife":"The initial phase t\u003csub\u003e1/2 \u0026alpha;\u003c/sub\u003e is \u003c 1 hour while the terminal phase t\u003csub\u003e1/2 \u0026beta;\u003c/sub\u003e is 5-9 hours.","Description":"Valsartan is an angiotensin-receptor blocker (ARB) that may be used to treat a variety of cardiac conditions including hypertension, diabetic nephropathy and heart failure. Valsartan lowers blood pressure by antagonizing the renin-angiotensin-aldosterone system (RAAS); it competes with angiotensin II for binding to the type-1 angiotensin II receptor (AT1) subtype and prevents the blood pressure increasing effects of angiotensin II. Unlike angiotensin-converting enzyme (ACE) inhibitors, ARBs do not have the adverse effect of dry cough. Valsartan may be used to treat hypertension, isolated systolic hypertension, left ventricular hypertrophy and diabetic nephropathy. It may also be used as an alternative agent for the treatment of heart failure, systolic dysfunction, myocardial infarction and coronary artery disease.","Classification":{"Description":"This compound belongs to the biphenyltetrazoles and derivatives. These are organic compounds containing a biphenyl attached to a tetrazole. A carbon atom of the biphenyl moiety is boned to a carbon or the nitrogen atom of the tetrazole moiety.","DirectParent":"Biphenyltetrazoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Losartan may be also used as a second line agent in the treatment of congestive heart failure, systolic dysfunction, myocardial infarction and coronary artery disease in those intolerant of ACE inhibitors.","Toxicity":"","MechanismOfAction":"Valsartan is an ARB that selectively inhibits the binding of angiotensin II to AT1, which is found in many tissues such as vascular smooth muscle and the adrenal glands. This effectively inhibits the AT1-mediated vasoconstrictive and aldosterone-secreting effects of angiotensin II and results in a decrease in vascular resistance and blood pressure. Valsartan is selective for AT1 and has virtually no affinity for AT2. Inhibition of aldosterone secretion may inhibit sodium and water reabsorption in the kidneys while decreasing potassium excretion. The primary metabolite of valsartan, valeryl 4-hydroxy valsartan, has no pharmacological activity. ","Pharmacodynamics":"Valsartan belongs to a class of antihypertensive agents called angiotensin II receptor blockers (ARBs). Valsartan is a specific and selective type-1 angiotensin II receptor (AT1) antagonist which blocks the blood pressure increasing effects angiotensin II via the renin-angiotensin-aldosterone system (RAAS). RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from granular cells of the juxtaglomerular apparatus in the kidneys. Renin cleaves circulating angiotensinogen to angiotensin I, which is cleaved by angiotensin converting enzyme (ACE) to angiotensin II. Angiotensin II increases blood pressure by increasing total peripheral resistance, increasing sodium and water reabsorption in the kidneys via aldosterone secretion, and altering cardiovascular structure. Angiotensin II binds to two receptors: AT1 and type-2 angiotensin II receptor (AT2). AT1 is a G-protein coupled receptor (GPCR) that mediates the vasoconstrictive and aldosterone-secreting effects of angiotensin II. Studies performed in recent years suggest that AT2 antagonizes AT1-mediated effects and directly affects long-term blood pressure control by inducing vasorelaxation and increasing urinary sodium excretion. Angiotensin receptor blockers (ARBs) are non-peptide competitive inhibitors of AT1. ARBs block the ability of angiotensin II to stimulate pressor and cell proliferative effects. Unlike ACE inhibitors, ARBs do not affect bradykinin-induced vasodilation. The overall effect of ARBs is a decrease in blood pressure.","Absorption":"Absolute bioavailability = 23% with high variability","Interactions":[{"ID":"DB01143"},{"ID":"DB00594"},{"ID":"DB06210"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00073"},{"ID":"DB00684"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00165","Drugs":["DB00177","DB01593"]}]},{"ID":"DB00178","Name":"Ramipril","DrugType":"small molecule","HalfLife":"Plasma concentrations of ramiprilat decline in a triphasic manner. Initial rapid decline represents distribution into tissues and has a half life of 2-4 hours. The half life of the apparent elimination phase is 9-18 hours and that of the terminal elimination phase is \u003e 50 hours. Two elimination phases occur as a result of ramiprilat's potent binding to ACE and slow dissociation from the enzyme. The half life of ramiprilat after multiple daily doses (MDDs) is dose-dependent, ranging from 13-17 hours with 5-10 mg MDDs to 27-36 hours for 2.5 mg MDDs. ","Description":"Ramipril is a prodrug belonging to the angiotensin-converting enzyme (ACE) inhibitor class of medications. It is metabolized to ramiprilat in the liver and, to a lesser extent, kidneys. Ramiprilat is a potent, competitive inhibitor of ACE, the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Ramipril may be used in the treatment of hypertension, congestive heart failure, nephropathy, and to reduce the rate of death, myocardial infarction and stroke in individuals at high risk of cardiovascular events. ","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the management of mild to severe hypertension. May be used to reduce cardiovascular mortality following myocardial infarction in hemodynamically stable individuals who develop clinical signs of congestive heart failure within a few days following myocardial infarction. To reduce the rate of death, myocardial infarction and stroke in individuals at high risk of cardiovascular events. May be used to slow the progression of renal disease in individuals with hypertension, diabetes mellitus and microalubinuria or overt nephropathy. ","Toxicity":"Symptoms of overdose may include excessive peripheral vasodilation (with marked hypotension and shock), bradycardia, electrolyte disturbances, and renal failure. The most likely adverse reactions are symptoms attributable to its blood-pressure lowing effect. May cause headache, dizziness, asthenia, chest pain, nausea, peripheral edema, somnolence, impotence, rash, arthritis, and dyspnea.\r\nLD\u003csub\u003e50\u003c/sub\u003e = 10933 mg/kg (orally in mice).\r\n","MechanismOfAction":"There are two isoforms of ACE: the somatic isoform, which exists as a glycoprotein comprised of a single polypeptide chain of 1277; and the testicular isoform, which has a lower molecular mass and is thought to play a role in sperm maturation and binding of sperm to the oviduct epithelium. Somatic ACE has two functionally active domains, N and C, which arise from tandem gene duplication. Although the two domains have high sequence similarity, they play distinct physiological roles. The C-domain is predominantly involved in blood pressure regulation while the N-domain plays a role in hematopoietic stem cell differentiation and proliferation. ACE inhibitors bind to and inhibit the activity of both domains, but have much greater affinity for and inhibitory activity against the C-domain. Ramiprilat, the principle active metabolite of ramipril, competes with ATI for binding to ACE and inhibits and enzymatic proteolysis of ATI to ATII. Decreasing ATII levels in the body decreases blood pressure by inhibiting the pressor effects of ATII as described in the Pharmacology section above. Ramipril also causes an increase in plasma renin activity likely due to a loss of feedback inhibition mediated by ATII on the release of renin and/or stimulation of reflex mechanisms via baroreceptors. ","Pharmacodynamics":"Ramipril is an ACE inhibitor similar to benazepril, fosinopril and quinapril. It is an inactive prodrug that is converted to ramiprilat in the liver, the main site of activation, and kidneys. Ramiprilat confers blood pressure lowing effects by antagonizing the effect of the RAAS. The RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from the granular cells of the juxtaglomerular apparatus in the kidneys. In the blood stream, renin cleaves circulating angiotensinogen to ATI, which is subsequently cleaved to ATII by ACE. ATII increases blood pressure using a number of mechanisms. First, it stimulates the secretion of aldosterone from the adrenal cortex. Aldosterone travels to the distal convoluted tubule (DCT) and collecting tubule of nephrons where it increases sodium and water reabsorption by increasing the number of sodium channels and sodium-potassium ATPases on cell membranes. Second, ATII stimulates the secretion of vasopressin (also known as antidiuretic hormone or ADH) from the posterior pituitary gland. ADH stimulates further water reabsorption from the kidneys via insertion of aquaporin-2 channels on the apical surface of cells of the DCT and collecting tubules. Third, ATII increases blood pressure through direct arterial vasoconstriction. Stimulation of the Type 1 ATII receptor on vascular smooth muscle cells leads to a cascade of events resulting in myocyte contraction and vasoconstriction. In addition to these major effects, ATII induces the thirst response via stimulation of hypothalamic neurons. ACE inhibitors inhibit the rapid conversion of ATI to ATII and antagonize RAAS-induced increases in blood pressure. ACE (also known as kininase II) is also involved in the enzymatic deactivation of bradykinin, a vasodilator. Inhibiting the deactivation of bradykinin increases bradykinin levels and may sustain the effects of ramiprilat by causing increased vasodilation and decreased blood pressure.","Absorption":"The extent of absorption is at least 50-60%. Food decreases the rate of absorption from the GI tract without affecting the extent of absorption. The absolute bioavailabilities of ramipril and ramiprilat were 28% and 44%, respectively, when oral administration was compared to intravenous administration. ","Interactions":[{"ID":"DB00594"},{"ID":"DB08822"},{"ID":"DB01395"},{"ID":"DB06196"},{"ID":"DB00046"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00697"},{"ID":"DB00684"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00154","Drugs":["DB00178","DB01593"]},{"ID":"SMP00597","Drugs":["DB00178","DB01593"]}]},{"ID":"DB00179","Name":"Masoprocol","DrugType":"small molecule","HalfLife":"","Description":"A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. [PubChem]","Classification":{"Description":"This compound belongs to the dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.","DirectParent":"Dibenzylbutane Lignans","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"Dibenzylbutane Lignans","SubClass":""},"Indication":"Used for the treatment of actinic keratoses (precancerous skin growths that can become malignant if left untreated).","Toxicity":"Symptoms of overdose or allergic reaction include bluish coloration of skin, dizziness, severe, or feeling faint, wheezing or trouble in breathing.","MechanismOfAction":"Although the exact mechanism of action is not known, studies have shown that masoprocol is a potent 5-lipoxygenase inhibitor and has antiproliferative activity against keratinocytes in tissue culture, but the relationship between this activity and its effectiveness in actinic keratoses is unknown. Masoprocol also inhibits prostaglandins but the significance of this action is not yet known.","Pharmacodynamics":"Masoprocol is a novel antineoplastic agent. It is not known exactly how masoprocol works. Laboratory experiments have shown that masoprocol prevents cells similar to the ones found in actinic keratoses from multiplying. Masoprocol was withdrawn from the U.S. market in June 1996.","Absorption":"Less than 1%-2% is absorbed through the skin over a 4-day period following application.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00180","Name":"Flunisolide","DrugType":"small molecule","HalfLife":"1.8 hours","Description":"Flunisolide (marketed as AeroBid, Nasalide, Nasarel) is a corticosteroid often prescribed as treatment for allergic rhinitis.\r\n\r\nThe principle mechanism of action of flunisolide is to activate glucocorticoid receptors. It also has anti-inflammatory action.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the maintenance treatment of asthma as a prophylactic therapy.","Toxicity":"","MechanismOfAction":"Flunisolide is a glucocorticoid receptor agonist. The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. The immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Flunisolide binds to plasma transcortin, and it becomes active when it is not bound to transcortin.","Pharmacodynamics":"Flunisolide is a synthetic corticosteroid. It is administered either as an oral metered-dose inhaler for the treatment of asthma or as a nasal spray for treating allergic rhinitis. Corticosteroids are naturally occurring hormones that prevent or suppress inflammation and immune responses. When given as an intranasal spray, flunisolide reduces watery nasal discharge (rhinorrhea), nasal congestion, postnasal drip, sneezing, and itching oat the back of the throat that are common allergic symptoms.","Absorption":"Absorbed rapidly","Interactions":[{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00181","Name":"Baclofen","DrugType":"small molecule","HalfLife":"2.5-4 hours","Description":"Baclofen is a gamma-amino-butyric acid (GABA) derivative used as a skeletal muscle relaxant. Baclofen stimulates GABA-B receptors leading to decreased frequency and amplitude of muscle spasms. It is especially useful in treating muscle spasticity associated with spinal cord injury. It appears to act primarily at the spinal cord level by inhibiting spinal polysynaptic afferent pathways and, to a lesser extent, monosynaptic afferent pathways. ","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the alleviation of signs and symptoms of spasticity resulting from multiple sclerosis, particularly for the relief of flexor spasms and concomitant pain, clonus, and muscular rigidity.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=45 mg/kg (male mice, IV); LD\u003csub\u003e50\u003c/sub\u003e=78 mg/kg (male rat, IV)","MechanismOfAction":"Baclofen is a direct agonist at GABAB receptors. The precise mechanism of action of Baclofen is not fully known. It is capable of inhibiting both monosynaptic and polysynaptic reflexes at the spinal level, possibly by hyperpolarization of afferent terminals, although actions at supraspinal sites may also occur and contribute to its clinical effect.","Pharmacodynamics":"Baclofen is a muscle relaxant and antispastic. Baclofen is useful for the alleviation of signs and symptoms of spasticity resulting from multiple sclerosis, particularly for the relief of flexor spasms and concomitant pain, clonus, and muscular rigidity. Although Baclofen is an analog of the putative inhibitory neurotransmitter gamma-aminobutyric acid (GABA), there is no conclusive evidence that actions on GABA systems are involved in the production of its clinical effects. In studies with animals, Baclofen has been shown to have general CNS depressant properties as indicated by the production of sedation with tolerance, somnolence, ataxia, and respiratory and cardiovascular depression. Baclofen is rapidly and extensively absorbed and eliminated. Absorption may be dose-dependent, being reduced with increasing doses. Baclofen is excreted primarily by the kidney in unchanged form and there is relatively large intersubject variation in absorption and/or elimination.","Absorption":"Rapidly and almost completely absorbed from the GI tract. ","Interactions":[{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00182","Name":"Amphetamine","DrugType":"small molecule","HalfLife":"10 hours","Description":"Amphetamine is a chiral compound. The racemic mixture can be divided into its optical antipodes: levo- and dextro-amphetamine. Amphetamine is the parent compound of its own structural class, comprising a broad range of psychoactive derivatives, e.g., MDMA (Ecstasy) and the N-methylated form, methamphetamine. Amphetamine is a homologue of phenethylamine.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For treatment of Attention Deficit Disorder with Hyperactivity (ADDH) and narcolepsy in children.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=180 mg/kg(subcutaneous injection in rat). The most common presenting symptoms seen are agitation, hallucinations, suicidal behaviour, and chest pain.","MechanismOfAction":"Amphetamines stimulate the release of norepinephrine from central adrenergic receptors. At higher dosages, they cause release of dopamine from the mesocorticolimbic system and the nigrostriatal dopamine systems. Amphetamine may also act as a direct agonist on central 5-HT receptors and may inhibit monoamine oxidase (MAO). In the periphery, amphetamines are believed to cause the release of noradrenaline by acting on the adrenergic nerve terminals and alpha- and beta-receptors. Modulation of serotonergic pathways may contribute to the calming affect. The drug interacts with VMAT enzymes to enhance release of DA and 5-HT from vesicles. It may also directly cause the reversal of DAT and SERT.","Pharmacodynamics":"Amphetamine and dextroamphetamine, non-catechloamine sypathomimetic agents, are used in combination to treat attention-deficit hyperactivity disorder (ADHD) or narcolepsy. Adderall consists of equivalent amounts of amphetamine aspartate, amphetamine sulfate, dextroamphetamine saccharate, and dextroamphetamine sulfate.","Absorption":"Amphetamine forms easily absorbed molecules that are highly lipid soluble","Interactions":[{"ID":"DB00477"},{"ID":"DB01551"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB01367"},{"ID":"DB00679"},{"ID":"DB00831"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00183","Name":"Pentagastrin","DrugType":"small molecule","HalfLife":"10 minutes or less","Description":"A synthetic pentapeptide that has effects like gastrin when given parenterally. It stimulates the secretion of gastric acid, pepsin, and intrinsic factor, and has been used as a diagnostic aid. [PubChem]","Classification":{"Description":"This compound belongs to the peptidomimetics. These are compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide.","DirectParent":"Peptidomimetics","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used as a diagnostic aid for evaluation of gastric acid secretory function","Toxicity":"","MechanismOfAction":"The exact mechanism by which pentagastrin stimulates gastric acid, pepsin, and intrinsic factor secretion is unknown; however, since pentagastrin is an analogue of natural gastrin, it is believed that it excites the oxyntic cells of the stomach to secrete to their maximum capacity. Pentagastrin stimulates pancreatic secretion, especially when administered in large intramuscular doses. Pentagastrin also increases gastrointestinal motility by a direct effect on the intestinal smooth muscle. However, it delays gastric emptying time probably by stimulation of terminal antral contractions, which enhance retropulsion.","Pharmacodynamics":"Pentagastrin is indicated as a diagnostic aid for evaluation of gastric acid secretory function. It is effective in testing for anacidity (achlorhydria) in patients with suspected pernicious anemia, atrophic gastritis, or gastric carcinoma. It is also effective in determining the reduction in acid output after operations for peptic ulcer, such as vagotomy or gastric resection.","Absorption":"Rapidly absorbed after parenteral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00184","Name":"Nicotine","DrugType":"small molecule","HalfLife":"Cotinine has a half life of 15-20 hours, while nicotine has a half life of 1-3 hours","Description":"Nicotine is highly toxic alkaloid. It is the prototypical agonist at nicotinic cholinergic receptors where it dramatically stimulates neurons and ultimately blocks synaptic transmission. Nicotine is also important medically because of its presence in tobacco smoke. [PubChem]","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"For the relief of nicotine withdrawal symptoms and as an aid to smoking cessation.","Toxicity":"Symptoms of overdose include nausea, abdominal pain, vomiting, diarrhea, diaphoresis, flushing, dizziness, disturbed hearing and vision, confusion, weakness, palpitations, altered respiration and hypotension. LD\u003csub\u003e50\u003c/sub\u003e= 24 mg/kg (orally in mice).","MechanismOfAction":"Nicotine is a stimulant drug that acts as an agonist at nicotinic acetylcholine receptors. These are ionotropic receptors composed up of five homomeric or heteromeric subunits. In the brain, nicotine binds to nicotinic acetylcholine receptors on dopaminergic neurons in the cortico-limbic pathways. This causes the channel to open and allow conductance of multiple cations including sodium, calcium, and potassium. This leads to depolarization, which activates voltage-gated calcium channels and allows more calcium to enter the axon terminal. Calcium stimulates vesicle trafficking towards the plasma membrane and the release of dopamine into the synapse. Dopamine binding to its receptors is responsible the euphoric and addictive properties of nicotine.\r\nNicotine also binds to nicotinic acetylcholine receptors on the chromaffin cells in the adrenal medulla. Binding opens the ion channel allowing influx of sodium, causing depolarization of the cell, which activates voltage-gated calcium channels. Calcium triggers the release of epinephrine from intracellular vesicles into the bloodstream, which causes vasoconstriction, increased blood pressure, increased heart rate, and increased blood sugar.","Pharmacodynamics":"Nicotine, the primary alkaloid in tobacco products binds stereo-selectively to nicotinic-cholinergic receptors on autonomic ganglia, the adrenal medulla, neuromuscular junctions and in the brain. Nicotine exerts two effects, a stimulant effect exerted at the locus ceruleus and a reward effect in the limbic system. Itranvenous administration of nicotine causes release of acetylcholine, norepinephrine, dopamine, serotonine, vasopressin, beta-endorphin and ACTH. Nicotine is a highly addictive substance. Nicotine also induces peripheral vasoconstriction, tachycardia and elevated blood pressure. Nicotine inhalers and patches are used to treat smoking withdrawl syndrome. Nicotine is classified as a stimulant of autonomic ganglia.","Absorption":"Absorption of nicotine through the buccal mucosa is relatively slow and the high and rapid rise followed by the decline in nicotine arterial plasma concentrations seen with cigarette smoking are not achieved with the inhaler. About 10% of absorbed nicotine is excreted unchanged in urine.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00628","Drugs":["DB00184","DB03435"]},{"ID":"SMP00431","Drugs":["DB00184","DB00368","DB00988","DB01345","DB01373","DB03435"]}]},{"ID":"DB00185","Name":"Cevimeline","DrugType":"small molecule","HalfLife":"5 \u0026plusmn; 1 hours","Description":"Cevimeline is a parasympathomimetic and muscarinic agonist, with particular effect on M3 receptors. It is indicated by the Food and Drug Administration for the treatment of dry mouth associated with Sjögren's syndrome. [Wikipedia]","Classification":{"Description":"This compound belongs to the azaspirodecane derivatives. These are organic compounds containing a spirodecane moeity with at least one nitrogen atom.","DirectParent":"Azaspirodecane Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azaspirodecane Derivatives","SubClass":""},"Indication":"For the treatment of symptoms of dry mouth in patients with Sj\u0026ouml;gren's Syndrome.","Toxicity":"","MechanismOfAction":"Muscarinic agonists such as cevimeline bind and activate the muscarinic M1 and M3 receptors. The M1 receptors are common in secretory glands (exocrine glands such as salivary and sweat glands), and their activation results in an increase in secretion from the secretory glands. The M3 receptors are found on smooth muscles and in many glands which help to stimulate secretion in salivary glands, and their activation generally results in smooth muscle contraction and increased glandular secretions. Therefore, as saliva excretion is increased, the symptoms of dry mouth are relieved.","Pharmacodynamics":"Cevimeline is a cholinergic agonist which binds to muscarinic receptors. Muscarinic agonists in sufficient dosage can increase secretion of exocrine glands, such as salivary and sweat glands and increase tone of the smooth muscle in the gastrointestinal and urinary tracts.","Absorption":"Rapidly absorbed with peak concentration after 1.5 to 2 hours","Interactions":[{"ID":"DB00872"},{"ID":"DB00382"}],"Salts":[{"ID":"DBSALT000805","Name":"Cevimeline hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00186","Name":"Lorazepam","DrugType":"small molecule","HalfLife":"Parenteral administration = 14±5 hours;\r\nOral administration = 2 hours. ","Description":"A benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent. [PubChem]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the management of anxiety disorders, and for treatment of status epilepticus.","Toxicity":"The most important clinical adverse event caused by lorazepam is respiratory depression. LD50, mouse, oral = 1850 mg/kg. ","MechanismOfAction":"Lorazepam binds to an allosteric site on GABA-A receptors, which are pentameric ionotropic receptors in the CNS. Binding potentiates the effects of the inhibitory neurotransmitter GABA, which upon binding opens the chloride channel in the receptor, allowing chloride influx and causing hyperpolerization of the neuron.","Pharmacodynamics":"Lorazepam, a benzodiazepine not transformed to active metabolites, is used to treat anxiety, status epilepticus, and for sedation induction and anterograde amnesia.","Absorption":"Readily absorbed with an absolute bioavailability of 90% when given orally. When intramuscularly administered, lorazepam is completely and rapidly absorbed. It achieves max serum concentration in 3 hours. The max serum concentration of a 4 mg dose is 48 ng/mL. ","Interactions":[{"ID":"DB00363"},{"ID":"DB01322"},{"ID":"DB00427"},{"ID":"DB00313"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00187","Name":"Esmolol","DrugType":"small molecule","HalfLife":"Rapid distribution half-life of about 2 minutes and an elimination half-life of about 9 minutes. The acid metabolite has an elimination half-life of about 3.7 hours.","Description":"Esmolol (trade name Brevibloc) is a cardioselective beta1 receptor blocker with rapid onset, a very short duration of action, and no significant intrinsic sympathomimetic or membrane stabilizing activity at therapeutic dosages.\r\n\r\nEsmolol decreases the force and rate of heart contractions by blocking beta-adrenergic receptors of the sympathetic nervous system, which are found in the heart and other organs of the body. Esmolol prevents the action of two naturally occurring substances: epinephrine and norepinephrine.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the rapid control of ventricular rate in patients with atrial fibrillation or atrial flutter in perioperative, postoperative, or other emergent circumstances where short term control of ventricular rate with a short-acting agent is desirable. Also used in noncompensatory sinus tachycardia where the rapid heart rate requires specific intervention.","Toxicity":"Symptoms of overdose include cardiac arrest, bradycardia, hypotension, electromechanical dissociation and loss of consciousness.","MechanismOfAction":"Similar to other beta-blockers, esmolol blocks the agonistic effect of the sympathetic neurotransmitters by competing for receptor binding sites. Because it predominantly blocks the beta-1 receptors in cardiac tissue, it is said to be cardioselective. In general, so-called cardioselective beta-blockers are relatively cardioselective; at lower doses they block beta-1 receptors only but begin to block beta-2 receptors as the dose increases. At therapeutic dosages, esmolol does not have intrinsic sympathomimetic activity (ISA) or membrane-stabilizing (quinidine-like) activity. Antiarrhythmic activity is due to blockade of adrenergic stimulation of cardiac pacemaker potentials. In the Vaughan Williams classification of antiarrhythmics, beta-blockers are considered to be class II agents.","Pharmacodynamics":"","Absorption":"Rapidly absorbed, steady-state blood levels for dosages from 50-300 \u0026micro;g/kg/min (0.05-0.3 mg/kg/mm) are obtained within five minutes.","Interactions":[{"ID":"DB00414"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01306"},{"ID":"DB01307"},{"ID":"DB00047"},{"ID":"DB01309"},{"ID":"DB00046"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB01366"},{"ID":"DB00912"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT000586","Name":"Esmolol Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00301","Drugs":["DB00187","DB01345","DB01373"]}]},{"ID":"DB00188","Name":"Bortezomib","DrugType":"small molecule","HalfLife":"The mean elimination half-life of bortezomib after first dose ranged from 9 to 15 hours at doses ranging from 1.45 to 2.00 mg/m2 in patients with advanced malignancies.","Description":"Bortezomib (originally PS-341 and marketed as Velcade by Millennium Pharmaceuticals) is the first therapeutic proteasome inhibitor to be tested in humans. It is approved in the U.S. for treating relapsed multiple myeloma and mantle cell lymphoma. In multiple myeloma, complete clinical responses have been obtained in patients with otherwise refractory or rapidly advancing disease.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of multiple myeloma in patients who have not been successfully treated with at least two previous therapies.","Toxicity":"Cardiovascular safety pharmacology studies in monkeys show that lethal IV doses are associated with decreases in blood pressure, increases in heart rate, increases in contractility, and ultimately terminal hypotension. In monkeys, doses of 3.0 mg/m\u003csup\u003e2\u003c/sup\u003e and greater (approximately twice the recommended clinical dose) resulted in progressive hypotension starting at 1 hour and progressing to death by 12 to 14 hours following drug administration.","MechanismOfAction":"Bortezomib is a reversible inhibitor of the chymotrypsin-like activity of the 26S proteasome in mammalian cells. The 26S proteasome is a large protein complex that degrades ubiquitinated proteins. The active site of the proteasome has chymotrypsin-like, trypsin-like, and postglutamyl peptide hydrolysis activity. The 26S proteasome degrades various proteins critical to cancer cell survival, such as cyclins, tumor suppressors, BCL-2, and cyclin-dependent kinase inhibitors. Inhibition of these degradations sensitizes cells to apoptosis. Bortezomib is a potent inhibitor of 26S proteasome, which sensitizes activity in dividing multiple myeloma and leukemic cells, thus inducing apoptosis. In addition, bortezomib appears to increase the sensitivity of cancer cells to traditional anticancer agents (e.g., gemcitabine, cisplatin, paclitaxel, irinotecan, and radiation).","Pharmacodynamics":"Bortezomib is a drug that inhibits the mammalian 26S proteasome. The ubiquitin-proteasome pathway plays an essential role in regulating the intracellular concentration of specific proteins, thereby maintaining homeostasis within cells. Inhibition of the 26S proteasome prevents this targeted proteolysis, which can affect multiple signaling cascades within the cell. This disruption of normal homeostatic mechanisms can lead to cell death. Experiments have demonstrated that bortezomib is cytotoxic to a variety of cancer cell types in vitro. Bortezomib causes a delay in tumor growth in vivo in nonclinical tumor models, including multiple myeloma. Tumor cells, that is, rapidly dividing cells, appear to be more sensitive to proteasome inhibition.","Absorption":"","Interactions":[{"ID":"DB00758"},{"ID":"DB06414"},{"ID":"DB00976"},{"ID":"DB00208"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00189","Name":"Ethchlorvynol","DrugType":"small molecule","HalfLife":"Plasma half-life is approximately 10 to 20 hours, terminal half-life is 21-100 hours.","Description":"Ethchlorvynol is a sedative and hypnotic drug. It has been used to treat insomnia, but has been largely superseded and is only offered where an intolerance or allergy to other drugs exists. [Wikipedia]","Classification":{"Description":"This compound belongs to the ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' ≠ H).","DirectParent":"Ynones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"Used for short-term hypnotic therapy in the management of insomnia for periods of up to one week in duration; however, this medication generally has been replaced by other sedative-hypnotic agents.","Toxicity":"Symptoms of overdose include thrombocytopenia.","MechanismOfAction":"Although the exact mechanism of action is unknown, ethchlorvynol appears to depress the central nervous system in a manner similar to that of barbiturates. Barbiturates bind at a distinct binding sites associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Ethchlorvynol is a sedative drug and schedule IV (USA) controlled substance. It produces cerebral depression, however the exact mechanism of action is not known.","Absorption":"Rapidly absorbed from gastrointestinal tract.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB00190","Name":"Carbidopa","DrugType":"small molecule","HalfLife":"1-2 hours","Description":"An inhibitor of DOPA decarboxylase, preventing conversion of levodopa to dopamine. It is used in parkinson disease to reduce peripheral adverse effects of levodopa. It has no antiparkinson actions by itself. [PubChem]","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For treatment of the symptoms of idiopathic Parkinson's disease (paralysis agitans), post-encephalitic parkinsonism","Toxicity":"Symptoms of a carbidopa toxicity include muscle spasms or weakness, spasms of the eyelid, nausea, vomiting, diarrhea, an irregular heartbeat, confusion, agitation, hallucinations, and unconsciousness.","MechanismOfAction":"When mixed with levodopa, carbidopa inhibits the peripheral conversion of levodopa to dopamine and the decarboxylation of oxitriptan to serotonin by aromatic L-amino acid decarboxylase. This results in increased amount of levodopa and oxitriptan available for transport to the CNS. Carbidopa also inhibits the metabolism of levodopa in the GI tract, thus, increasing the bioavailability of levodopa.","Pharmacodynamics":"Carbidopa, a noncompetitive decarboxylase inhibitor, is used in combination with levodopa for the treatment of Parkinson's disease.","Absorption":"Rapidly decarboxylated to dopamine in extracerebral tissues so that only a small portion of a given dose is transported unchanged to the central nervous system.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00191","Name":"Phentermine","DrugType":"small molecule","HalfLife":"16 to 31 hours","Description":"A central nervous system stimulant and sympathomimetic with actions and uses similar to those of dextroamphetamine. It has been used most frequently in the treatment of obesity. [PubChem]. Some common brand names for phentermine are Adipex-P® and Suprenza™. Phentermine is also available in combination medications such as Qsymia®.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment and management of obesity.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e is adult monkeys is 15 to 20 mg/kg. Symptoms of overdose include delirium, mania, self-injury, marked hypertension, tachycardia, arrhythmia, hyperpyrexia, convulsion, coma, and circulatory collapse.","MechanismOfAction":"Phentermine is an amphetamine that stimulates neurons to release or maintain high levels of a particular group of neurotransmitters known as catecholamines; these include dopamine and norepinephrine. High levels of these catecholamines tend to suppress hunger signals and appetite. The drug seems to inhibit reuptake of noradrenaline, dopamine, and seratonin through inhibition or reversal of the reuptake transporters. It may also inhibit MAO enzymes leaving more neurotransmitter available at the synapse.Phentermine (through catecholamine elevation) may also indirectly affect leptin levels in the brain. It is theorized that phentermine can raise levels of leptin which signal satiety. It is also theorized that increased levels of the catecholamines are partially responsible for halting another chemical messenger known as neuropeptide Y. This peptide initiates eating, decreases energy expenditure, and increases fat storage.","Pharmacodynamics":"Phentermine is indicated in the management of exogenous obesity as a short term (a few weeks) adjunct in a regimen of weight reduction based on caloric restriction. Phentermine hydrochloride is a sympathomimetic amine with pharmacologic activity similar to the prototype drugs of this class used in obesity, the amphetamines. Actions include central nervous system stimulation and elevation of blood pressure. Tachyphylaxis and tolerance have been demonstrated with all drugs of this class in which these phenomena have been looked for.","Absorption":"Phentermine is rapidly absorbed after oral ingestion.","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00477"},{"ID":"DB00392"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB00777"},{"ID":"DB01367"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB00193"},{"ID":"DB00519"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00427"},{"ID":"DB00285"}],"Salts":[{"ID":"DBSALT000138","Name":"Phentermine Hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00192","Name":"Indecainide","DrugType":"small molecule","HalfLife":"","Description":"Indecainide is a rarely used antidysrhythmic. Indecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.","Classification":{"Description":"This compound belongs to the fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.","DirectParent":"Fluorenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Fluorenes","SubClass":""},"Indication":"For the treatment of life-threatening dysrhythmias and sustained ventricular tachycardia.","Toxicity":"When given orally to either young adult rats or mice, the LD50 was 100 mg/kg. Symptoms of overdose include nausea and vomiting, convulsions, hypotension, bradycardia, syncope, extreme widening of the QRS complex, widening of the QT interval, widening of the PR interval, ventricular tachycardia, AV nodal block, asystole, bundle branch block, cardiac failure, and cardiac arrest.","MechanismOfAction":"Indecainide acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. The antiarrhythmic actions are mediated through effects on sodium channels in Purkinje fibers.","Pharmacodynamics":"Indecainide is a rarely used antidysrhythmic. Indecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.","Absorption":"Nearly complete following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000880","Name":"Indecainide hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00193","Name":"Tramadol","DrugType":"small molecule","HalfLife":"Tramadol and its metabolites are excreted primarily in the urine with observed plasma half-lives of 6.3 and 7.4 hours for tramadol and M1, respectively.","Description":"A narcotic analgesic proposed for moderate to severe pain. It may be habituating. [PubChem] Tramadol is also prepared as a variable release capsules, marketed under the brand name ConZip. For example, a 150 mg capsule will contain 37.5 mg of the immediate release form and 112.5 mg of the extended release form. \r\n","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Indicated in the treatment of moderate to severe pain. Consider for those prone to constipation or respiratory depression. Tramadol is used to treat postoperative, dental, cancer, and acute musculosketetal pain and as an adjuvant to NSAID therapy in patients with osteoarthritis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=350mg/kg (orally in mice)","MechanismOfAction":"Tramadol and its O-desmethyl metabolite (M1) are selective, weak OP3-receptor agonists. Opiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. The analgesic properties of Tramadol can be attributed to norepinephrine and serotonin reuptake blockade in the CNS, which inhibits pain transmission in the spinal cord. The (+) enantiomer has higher affinity for the OP3 receptor and preferentially inhibits serotonin uptake and enhances serotonin release. The (-) enantiomer preferentially inhibits norepinephrine reuptake by stimulating alpha(2)-adrenergic receptors.","Pharmacodynamics":"Tramadol, a centrally-acting analgesic, exists as a racemic mixture of the \u003ci\u003etrans\u003c/i\u003e isomer, with important differences in binding, activity, and metabolism associated with the two enantiomers. Although its mode of action is not completely understood, from animal tests, at least two complementary mechanisms appear applicable: binding of parent and M1 metabolite to μ-opioid receptors and weak inhibition of reuptake of norepinephrine and serotonin. Opioid activity is due to both low affinity binding of the parent compound and higher affinity binding of the O-demethylated metabolite M1 to μ-opioid receptors. In animal models, M1 is up to 6 times more potent than tramadol in producing analgesia and 200 times more potent in μ-opioid binding. Opiate antagonist naloxone only partially antagonized tramadol-induced analgesia. ","Absorption":"Racemic tramadol is rapidly and almost completely absorbed after oral administration. The mean absolute bioavailability of a 100 mg oral dose is approximately 75%. The mean peak plasma concentration of racemic tramadol and M1 occurs at two and three hours, respectively, after administration in healthy adults.","Interactions":[{"ID":"DB00918"},{"ID":"DB06274"},{"ID":"DB00357"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00865"},{"ID":"DB00559"},{"ID":"DB01200"},{"ID":"DB00248"},{"ID":"DB00564"},{"ID":"DB00608"},{"ID":"DB00477"},{"ID":"DB00501"},{"ID":"DB01012"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00257"},{"ID":"DB00363"},{"ID":"DB00907"},{"ID":"DB00872"},{"ID":"DB00924"},{"ID":"DB00091"},{"ID":"DB00496"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01234"},{"ID":"DB01576"},{"ID":"DB00514"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB01075"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00625"},{"ID":"DB00216"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00998"},{"ID":"DB00614"},{"ID":"DB00502"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB01247"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB00281"},{"ID":"DB00601"},{"ID":"DB01255"},{"ID":"DB01601"},{"ID":"DB00934"},{"ID":"DB00333"},{"ID":"DB01577"},{"ID":"DB01403"},{"ID":"DB00353"},{"ID":"DB00916"},{"ID":"DB01110"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB00607"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB00622"},{"ID":"DB04868"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00776"},{"ID":"DB00715"},{"ID":"DB00312"},{"ID":"DB01186"},{"ID":"DB00454"},{"ID":"DB01579"},{"ID":"DB00780"},{"ID":"DB01174"},{"ID":"DB00191"},{"ID":"DB00252"},{"ID":"DB01132"},{"ID":"DB01263"},{"ID":"DB00794"},{"ID":"DB01168"},{"ID":"DB01069"},{"ID":"DB00344"},{"ID":"DB00205"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB00953"},{"ID":"DB00118"},{"ID":"DB01232"},{"ID":"DB01037"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB06268"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00759"},{"ID":"DB00679"},{"ID":"DB00208"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000181","Name":"Tramadol Hydrochloride "}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00637","Drugs":["DB00193","DB03435"]},{"ID":"SMP00671","Drugs":["DB00193","DB00368","DB00988","DB01345","DB01373"]}]},{"ID":"DB00194","Name":"Vidarabine","DrugType":"small molecule","HalfLife":"","Description":"A nucleoside antibiotic isolated from Streptomyces antibioticus. It has some antineoplastic properties and has broad spectrum activity against DNA viruses in cell cultures and significant antiviral activity against infections caused by a variety of viruses such as the herpes viruses, the vaccinia VIRUS and varicella zoster virus. [PubChem]","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For treatment of chickenpox - varicella, herpes zoster and herpes simplex","Toxicity":"Acute massive overdosage by oral ingestion of the ophthalmic ointment has not occurred. However, the rapid deamination to arabinosylhypoxanthine should preclude any difficulty. The oral LD\u003csub\u003e50\u003c/sub\u003e for vidarabine is greater than 5020 mg/kg in mice and rats. No untoward effects should result from ingestion of the entire contents of the tube. Overdosage by ocular instillation is unlikely because any excess should be quickly expelled from the conjunctival sac.","MechanismOfAction":"Vidarabine stops replication of herpes viral DNA in 2 ways: 1) competitive inhibition of viral DNA polymerase, and consequently 2) incorporation into and termination of the growing viral DNA chain.\r\nThis drug is a nucleoside analog and therefore has to be phosphorylated to be active. Vidarabine is sequentially phosphorylated by kinases to the triphosphate ara-ATP. This is the active form of vidarabine and is both an inhibitor and a substrate of viral DNA polymerase. When used as a substrate for viral DNA polymerase, ara-ATP competitively inhibits dATP leading to the formation of ‘faulty’ DNA. This is where ara-ATP is incorporated into the DNA strand replacing many of the adenosine bases. This results in the prevention of DNA synthesis, as phosphodiester bridges can longer to be built, destabilizing the strand","Pharmacodynamics":"Vidarabine is a synthetic purine nucleoside analogue with \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e inhibitory activity against herpes simplex virus types 1 (HSV-1), 2 (HSV-2), and varicella-zoster virus (VZV). The inhibitory activity of Vidarabine is highly selective due to its affinity for the enzyme thymidine kinase (TK) encoded by HSV and VZV. This viral enzyme converts Vidarabine into Vidarabine monophosphate, a nucleotide analogue. The monophosphate is further converted into diphosphate by cellular guanylate kinase and into triphosphate by a number of cellular enzymes. \u003ci\u003ein vitro\u003c/i\u003e, Vidarabine triphosphate stops replication of herpes viral DNA. When used as a substrate for viral DNA polymerase, Vidarabine triphosphate competitively inhibits dATP leading to the formation of 'faulty' DNA. This is where Vidarabine triphosphate is incorporated into the DNA strand replacing many of the adenosine bases. This results in the prevention of DNA synthesis, as phosphodiester bridges can longer to be built, destabilizing the strand.","Absorption":"Systemetic absorption of vidarabine should not be expected to occur following ocular administration and swallowing lacrimal secretions. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00195","Name":"Betaxolol","DrugType":"small molecule","HalfLife":"14-22 hours","Description":"A cardioselective beta-1-adrenergic antagonist with no partial agonist activity. [PubChem]","Classification":{"Description":"This compound belongs to the tyrosols and derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.","DirectParent":"Tyrosols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the management of hypertension.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003es are 350 to 400 mg betaxolol/kg in mice and 860 to 980 mg/kg in rats. Predicted symptoms of overdose include bradycardia, congestive heart failure, hypotension, bronchospasm, and hypoglycemia.","MechanismOfAction":"Betaxolol selectively blocks catecholamine stimulation of beta(1)-adrenergic receptors in the heart and vascular smooth muscle. This results in a reduction of heart rate, cardiac output, systolic and diastolic blood pressure, and possibly reflex orthostatic hypotension. Betaxolol can also competitively block beta(2)-adrenergic responses in the bronchial and vascular smooth muscles, causing bronchospasm.","Pharmacodynamics":"Betaxolol is a competitive, beta(1)-selective (cardioselective) adrenergic antagonist. Betaxolol is used to treat hypertension, arrhythmias, coronary heart disease, glaucoma, and is also used to reduce non-fatal cardiac events in patients with heart failure. Activation of beta(1)-receptors (located mainly in the heart) by epinephrine increases the heart rate and the blood pressure, and the heart consumes more oxygen. Drugs such as betaxolol that block these receptors therefore have the reverse effect: they lower the heart rate and blood pressure and hence are used in conditions when the heart itself is deprived of oxygen. They are routinely prescribed in patients with ischemic heart disease. In addition, beta(1)-selective blockers prevent the release of renin, which is a hormone produced by the kidneys which leads to constriction of blood vessels. Betaxolol is lipophilic and exhibits no intrinsic sympathomimetic activity (ISA) or membrane stabilizing activity.","Absorption":"Absorption of an oral dose is complete. There is a small and consistent first-pass effect resulting in an absolute bioavailability of 89% \u0026plusmn; 5% that is unaffected by the concomitant ingestion of food or alcohol.","Interactions":[{"ID":"DB00414"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB06709"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB00236"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB00912"},{"ID":"DB00073"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00730"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000328","Name":"Betaxolol Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00299","Drugs":["DB00195","DB01345","DB01373"]}]},{"ID":"DB00196","Name":"Fluconazole","DrugType":"small molecule","HalfLife":"30 hours (range 20-50 hours)","Description":"Triazole antifungal agent that is used to treat oropharyngeal candidiasis and cryptococcal meningitis in AIDS. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"For the treatment of fungal infections.","Toxicity":"Symptoms of overdose include hallucinations and paranoid behavior.","MechanismOfAction":"Fluconazole interacts with 14-\u0026alpha; demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Fluconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis.","Pharmacodynamics":"Fluconazole, a synthetic antifungal agent of the imidazole class, is used to treat vaginal candidiasis. It inhibits the fungal lanosterol 14 alpha-demethylase which thereby prevents the formation of ergosterol which is an essential component in the fungal cell membrane.","Absorption":"90%","Interactions":[{"ID":"DB01418"},{"ID":"DB00802"},{"ID":"DB00404"},{"ID":"DB00321"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB01076"},{"ID":"DB01558"},{"ID":"DB00564"},{"ID":"DB00395"},{"ID":"DB00482"},{"ID":"DB00475"},{"ID":"DB01166"},{"ID":"DB00604"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00872"},{"ID":"DB00531"},{"ID":"DB00091"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB00320"},{"ID":"DB00700"},{"ID":"DB00696"},{"ID":"DB01215"},{"ID":"DB00754"},{"ID":"DB01590"},{"ID":"DB00813"},{"ID":"DB06702"},{"ID":"DB00690"},{"ID":"DB01095"},{"ID":"DB01320"},{"ID":"DB00801"},{"ID":"DB00502"},{"ID":"DB00458"},{"ID":"DB08820"},{"ID":"DB00227"},{"ID":"DB06708"},{"ID":"DB00532"},{"ID":"DB00683"},{"ID":"DB00540"},{"ID":"DB04938"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB01589"},{"ID":"DB00980"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB06207"},{"ID":"DB00641"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00342"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB08895"},{"ID":"DB01124"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB00214"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB00580"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00549"},{"ID":"DB00246"},{"ID":"DB00425"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00197","Name":"Troglitazone","DrugType":"small molecule","HalfLife":"16-34 hours","Description":"Troglitazone was withdrawn in 2000 due to risk of hepatotoxicity. It was superseded by pioglitazone and rosiglitazone.","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"For the treatment of Type II diabetes mellitus. It is used alone or in combination with a sulfonylurea, metformin, or insulin as an adjunct to diet and exercise.","Toxicity":"","MechanismOfAction":"Troglitazone is a thiazolidinedione antidiabetic agent that lowers blood glucose by improving target cell response to insulin. It has a unique mechanism of action that is dependent on the presence of insulin for activity. Troglitazone decreases hepatic glucose output and increases insulin dependent glucose disposal in skeletal muscle. Its mechanism of action is thought to involve binding to nuclear receptors (PPAR) that regulate the transcription of a number of insulin responsive genes critical for the control of glucose and lipid metabolism. Troglitazone is a ligand to both PPARα and PPARγ, with a highter affinity for PPARγ. The drug also contains an α-tocopheroyl moiety, potentially giving it vitamin E-like activity. Troglitazone has been shown to reduce inflammation, and is associated with a decrase in nuclear factor kappa-B (NF-κB) and a concomitant increase in its inhibitor (IκB). NF-κB is an important cellular transcription regulator for the immune response. Unlike sulfonylureas, troglitazone is not an insulin secretagogue.","Pharmacodynamics":"Troglitazone is an oral antihyperglycemic agent which acts primarily by decreasing insulin resistance. Troglitazone is used in the management of type II diabetes (noninsulin-dependent diabetes mellitus (NIDDM) also known as adult-onset diabetes). It improves sensitivity to insulin in muscle and adipose tissue and inhibits hepatic gluconeogenesis. Troglitazone is not chemically or functionally related to either the sulfonylureas, the biguanides, or the g-glucosidase inhibitors. Troglitazone may be used concomitantly with a sulfonylurea or insulin to improve glycemic control.","Absorption":"Absorbed rapidly. Food increases the extent of absorption by 30% to 85%.","Interactions":[{"ID":"DB01432"},{"ID":"DB00091"},{"ID":"DB00977"},{"ID":"DB00717"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00198","Name":"Oseltamivir","DrugType":"small molecule","HalfLife":"1 to 3 hours in most subjects after oral administration.","Description":"An acetamido cyclohexene that is a structural homolog of sialic acid and inhibits neuraminidase. [PubChem]","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Oseltamivir (Tamiflu) is for the treatment of uncomplicated acute illness due to influenza infection in patients 1 year and older who have been symptomatic for no more than 2 days. It is also used for the prophylaxis of influenza in adult patients and adolescents 13 years and older.","Toxicity":"At present, there has been no experience with overdose. Single doses of up to 1000 mg of oseltamivir have been associated with nausea and/or vomiting. Mean LD (intravenous, mouse) = 100 mg/kg.","MechanismOfAction":"Oseltamivir is an ethyl ester prodrug requiring ester hydrolysis for conversion to the active form, oseltamivir carboxylate. The proposed mechanism of action of oseltamivir is inhibition of influenza virus neuraminidase with the possibility of alteration of virus particle aggregation and release.","Pharmacodynamics":"Oseltamivir is an antiviral drug, a neuraminidase inhibitor used in the treatment and prophylaxis of both influenza A and influenza B. Oseltamivir is a prodrug (usually administered as phosphate), it is hydrolysed hepatically to the active metabolite, the free carboxylate of oseltamivir (GS4071). Like zanamivir, oseltamivir acts as a transition-state analogue inhibitor of influenza neuraminidase.","Absorption":"Readily absorbed from the gastrointestinal tract after oral administration with a bioavailability of 75%.","Interactions":null,"Salts":[{"ID":"DBSALT000881","Name":"Oseltamivir phosphate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00199","Name":"Erythromycin","DrugType":"small molecule","HalfLife":"0.8 - 3 hours","Description":"Erythromycin is a macrolide antibiotic produced by Streptomyces erythreus. It inhibits bacterial protein synthesis by binding to bacterial 50S ribosomal subunits; binding inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins. Erythromycin may be bacteriostatic or bactericidal depending on the organism and drug concentration. ","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"For use in the treatment of infections caused by susceptible strains of microorganisms in the following diseases: respiratory tract infections (upper and lower) of mild to moderate degree, pertussis (whooping cough), as adjunct to antitoxin in infections due to \u003ci\u003eCorynebacterium diphtheriae\u003c/i\u003e, in the treatment of infections due to \u003ci\u003eCorynebacterium minutissimum\u003c/i\u003e, intestinal amebiasis caused by \u003ci\u003eEntamoeba histolytica\u003c/i\u003e, acute pelvic inflammatory disease caused by \u003ci\u003eNeisseria gonorrhoeae\u003c/i\u003e, skin and soft tissue infections of mild to moderate severity caused by \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e and \u003ci\u003eStaphylococcus aureus\u003c/i\u003e, primary syphilis caused by \u003ci\u003eTreponema pallidum\u003c/i\u003e, infections caused by \u003ci\u003eChlamydia trachomatis\u003c/i\u003e, nongonococcal urethritis caused by \u003ci\u003eUreaplasma urealyticum\u003c/i\u003e, and Legionnaires' disease caused by \u003ci\u003eLegionella pneumophila\u003c/i\u003e.","Toxicity":"Symptoms of overdose include diarrhea, nausea, stomach cramps, and vomiting.","MechanismOfAction":"Erythromycin acts by penetrating the bacterial cell membrane and reversibly binding to the 50 S subunit of bacterial ribosomes or near the \u0026ldquo;P\u0026rdquo; or donor site so that binding of tRNA (transfer RNA) to the donor site is blocked. Translocation of peptides from the \u0026ldquo;A\u0026rdquo; or acceptor site to the \u0026ldquo;P\u0026rdquo; or donor site is prevented, and subsequent protein synthesis is inhibited. Erythromycin is effective only against actively dividing organisms. The exact mechanism by which erythmromycin reduces lesions of acne vulgaris is not fully known: however, the effect appears to be due in part to the antibacterial activity of the drug.","Pharmacodynamics":"Erythromycin is produced by a strain of Streptomyces erythraeus and belongs to the macrolide group of antibiotics. After absorption, erythromycin diffuses readily into most body fluids. In the absence of meningeal inflammation, low concentrations are normally achieved in the spinal fluid, but the passage of the drug across the blood-brain barrier increases in meningitis. Erythromycin is excreted in breast milk. The drug crosses the placental barrier with fetal serum drug levels reaching 5 - 20% of maternal serum concentrations. Erythromycin is not removed by peritoneal dialysis or hemodialysis.","Absorption":"Orally administered erythromycin base and its salts are readily absorbed in the microbiologically active form. Topical application of the ophthalmic ointment to the eye may result in absorption into the cornea and aqueous humor.","Interactions":[{"ID":"DB01418"},{"ID":"DB00802"},{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB06237"},{"ID":"DB06769"},{"ID":"DB01158"},{"ID":"DB01558"},{"ID":"DB01200"},{"ID":"DB00490"},{"ID":"DB00248"},{"ID":"DB00564"},{"ID":"DB00439"},{"ID":"DB01166"},{"ID":"DB01012"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB00363"},{"ID":"DB01394"},{"ID":"DB00091"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB01248"},{"ID":"DB00204"},{"ID":"DB00651"},{"ID":"DB00216"},{"ID":"DB06210"},{"ID":"DB00700"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB01590"},{"ID":"DB01023"},{"ID":"DB00472"},{"ID":"DB00317"},{"ID":"DB00365"},{"ID":"DB00619"},{"ID":"DB05039"},{"ID":"DB01167"},{"ID":"DB08820"},{"ID":"DB01137"},{"ID":"DB01627"},{"ID":"DB00227"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB00353"},{"ID":"DB00959"},{"ID":"DB00247"},{"ID":"DB00683"},{"ID":"DB00218"},{"ID":"DB01303"},{"ID":"DB06589"},{"ID":"DB01100"},{"ID":"DB08860"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB00912"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01656"},{"ID":"DB06335"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB00203"},{"ID":"DB06207"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB00864"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB06212"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00313"},{"ID":"DB00862"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB08828"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00549"},{"ID":"DB00246"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00250","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00199","DB01972","DB02431","DB03685"]}]},{"ID":"DB00200","Name":"Hydroxocobalamin","DrugType":"small molecule","HalfLife":"Approximately 6 days (peak plasma concentration after 8-12 hours from oral administration)","Description":"Injectable form of vitamin B 12 that has been used therapeutically to treat vitamin B 12 deficiency. [PubChem]","Classification":{"Description":"This compound belongs to the cobalamin derivatives. These are organic compounds containing a corrin ring, a cobalt atom, an a nucleotide moiety. Cobalamin Derivatives are actually derived from vitamin B12.","DirectParent":"Cobalamin Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Corrinoids"},"Indication":"For treatment of pernicious anemia and the prevention and treatment of vitamin B12 deficiency arising from alcoholism, malabsorption, tapeworm infestation, celiac, hyperthyroidism, hepatic-biliary tract disease, persistent diarrhea, ileal resection, pancreatic cancer, renal disease, prolonged stress, vegan diets, macrobiotic diets or other restrictive diets. Also for the treatment of known or suspected cyanide poisoning.","Toxicity":"","MechanismOfAction":"Vitamin B12 exists in four major forms referred to collectively as cobalamins; deoxyadenosylcobalamin, methylcobalamin, hydroxocobalamin, and cyanocobalamin. Two of these, methylcobalamin and 5-deoxyadenosyl cobalamin, are primarily used by the body. Methionine synthase needs methylcobalamin as a cofactor. This enzyme is involved in the conversion of the amino acid homocysteine into methionine. Methionine in turn is required for DNA methylation. 5-Deoxyadenosyl cobalamin is a cofactor needed by the enzyme that converts L-methylmalonyl-CoA to succinyl-CoA. This conversion is an important step in the extraction of energy from proteins and fats. Furthermore, succinyl CoA is necessary for the production of hemoglobin, the substances that carries oxygen in red blood cells.","Pharmacodynamics":"Hydroxocobalamin is a synthetic, injectable form of Vitamin B12. Hydroxocobalamin is actually a precursor of two cofactors or vitamins (Vitamin B12 and Methylcobalamin) which are involved in various biological systems in man. Vitamin B12 is required for the conversion of methylmalonate to succinate. Deficiency of this enzyme could therefore interfere with the production of lipoprotein in myelin sheath tissue and so give rise to neurological lesions. The second cofactor, Methylcobalamin, is necessary for the conversion of homocysteine to methionine which is essential for the metabolism of folic acid. Deficiency of tetrahydrafolate leads to reduced synthesis of thymidylate resulting in reduced synthesis of DNA which is essential for cell maturation. Vitamin B12 is also concerned in the maintenance of sulphydryl groups in reduced form, deficiency leading to decreased amounts of reduced SH content of erythrocytes and liver cells. Overall, vitamin B12 acts as a coenzyme for various metabolic functions, including fat and carbohydrate metabolism and protein synthesis. It is necessary for growth, cell replication, hematopoiesis, and nucleoprotein as well as myelin synthesis. This is largely due to its effects on metabolism of methionine folic acid, and malonic acid.","Absorption":"Readily absorbed from the gastrointestinal tract, except in malabsorption syndromes. Vitamin B12 is absorbed in the lower half of the ileum.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00201","Name":"Caffeine","DrugType":"small molecule","HalfLife":"3 to 7 hours in adults, 65 to 130 hours in neonates","Description":"A methylxanthine naturally occurring in some beverages and also used as a pharmacological agent. Caffeine's most notable pharmacological effect is as a central nervous system stimulant, increasing alertness and producing agitation. It also relaxes smooth muscle, stimulates cardiac muscle, stimulates diuresis, and appears to be useful in the treatment of some types of headache. Several cellular actions of caffeine have been observed, but it is not entirely clear how each contributes to its pharmacological profile. Among the most important are inhibition of cyclic nucleotide phosphodiesterases, antagonism of adenosine receptors, and modulation of intracellular calcium handling. [PubChem]","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For management of fatigue, orthostatic hypotension, and for the short term treatment of apnea of prematurity in infants.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=127 mg/kg (orally in mice)","MechanismOfAction":"Caffeine stimulates medullary, vagal, vasomotor, and respiratory centers, promoting bradycardia, vasoconstriction, and increased respiratory rate. This action was previously believed to be due primarily to increased intracellular cyclic 3\u0026prime;,5\u0026prime;-adenosine monophosphate (cyclic AMP) following inhibition of phosphodiesterase, the enzyme that degrades cyclic AMP. It is now thought that xanthines such as caffeine act as antagonists at adenosine-receptors within the plasma membrane of virtually every cell. As adenosine acts as an autocoid, inhibiting the release of neurotransmitters from presynaptic sites but augmenting the actions of norepinephrine or angiotensin, antagonism of adenosine receptors promotes neurotransmitter release. This explains the stimulatory effects of caffeine. Blockade of the adenosine A1 receptor in the heart leads to the accelerated, pronounced \"pounding\" of the heart upon caffeine intake.","Pharmacodynamics":"Caffeine, a naturally occurring xanthine derivative like theobromine and the bronchodilator theophylline, is used as a CNS stimulant, mild diuretic, and respiratory stimulant (in neonates with apnea of prematurity). Often combined with analgesics or with ergot alkaloids, caffeine is used to treat migraine and other headache types. Over the counter, caffeine is available to treat drowsiness or mild water-weight gain.","Absorption":"Readily absorbed after oral or parenteral administration. The peak plasma level for caffeine range from 6-10mg/L and the mean time to reach peak concentration ranged from 30 minutes to 2 hours.","Interactions":[{"ID":"DB00640"},{"ID":"DB00537"},{"ID":"DB00363"},{"ID":"DB00872"},{"ID":"DB00365"},{"ID":"DB01356"},{"ID":"DB01059"},{"ID":"DB06213"},{"ID":"DB00706"},{"ID":"DB00857"},{"ID":"DB00730"},{"ID":"DB01036"},{"ID":"DB08881"}],"Salts":[{"ID":"DBSALT000866","Name":"Caffeine citrate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00028","Drugs":["DB00201","DB00277","DB01412"]}]},{"ID":"DB00202","Name":"Succinylcholine","DrugType":"small molecule","HalfLife":"","Description":"A quaternary skeletal muscle relaxant usually used in the form of its bromide, chloride, or iodide. It is a depolarizing relaxant, acting in about 30 seconds and with a duration of effect averaging three to five minutes. Succinylcholine is used in surgical, anesthetic, and other procedures in which a brief period of muscle relaxation is called for. [PubChem]","Classification":{"Description":"This compound belongs to the cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.","DirectParent":"Cholines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Cholines"},"Indication":"Used in surgical procedures where a rapid onset and brief duration of muscle relaxation is needed (includes intubation, endoscopies, and ECT)","Toxicity":"","MechanismOfAction":"The mechanism of action of Succinylcholine involves what appears to be a \"persistent\" depolarization of the neuromuscular junction. This depolarization is caused by Succinylcholine mimicking the effect of acetylcholine but without being rapidly hydrolysed by acetylcholinesterase. This depolarization leads to desensitization.","Pharmacodynamics":"Succinylcholine is indicated as an adjunct to general anesthesia, to facilitate tracheal intubation, and to provide skeletal muscle relaxation during surgery or mechanical ventilation. Succinylcholine is a depolarizing skeletal muscle relaxant. As does acetylcholine, it combines with the cholinergic receptors of the motor end plate to produce depolarization. This depolarization may be observed as fasciculations. Subsequent neuromuscular transmission is inhibited so long as adequate concentration of succinylcholine remains at the receptor site. Succinylcholine has no direct action on the uterus or other smooth muscle structures.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB01190"},{"ID":"DB00531"},{"ID":"DB01551"},{"ID":"DB01057"},{"ID":"DB00798"},{"ID":"DB01627"},{"ID":"DB00955"},{"ID":"DB00319"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00382"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000206","Name":"Succinylcholine Chloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00203","Name":"Sildenafil","DrugType":"small molecule","HalfLife":"4 hours","Description":"Sildenfail is a vasoactive agent used to treat erectile dysfunction and reduce symptoms in patients with pulmonary arterial hypertension (PAH). Sildenafil elevates levels of the second messenger, cGMP, by inhibiting its breakdown via phosphodiesterase type 5 (PDE5). PDE5 is found in particularly high concentrations in the corpus cavernosum, erectile tissue of the penis. It is also found in the retina and vascular endothelium. Increased cGMP results in vasodilation which facilitates generation and maintenance of an erection. The vasodilatory effects of sildenafil also help reduce symptoms of PAH. ","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of erectile dysfunction and to relieve symptoms of pulmonary arterial hypertension (PAH). ","Toxicity":"","MechanismOfAction":"Sildenafil inhibits the cGMP-specific phosphodiesterase type 5 (PDE5) which is responsible for degradation of cGMP in the corpus cavernosum located around the penis. Penile erection during sexual stimulation is caused by increased penile blood flow resulting from the relaxation of penile arteries and corpus cavernosal smooth muscle. This response is mediated by the release of nitric oxide (NO) from nerve terminals and endothelial cells, which stimulates the synthesis of cGMP in smooth muscle cells. Cyclic GMP causes smooth muscle relaxation and increased blood flow into the corpus cavernosum. The inhibition of phosphodiesterase type 5 (PDE5) by sildenafil enhances erectile function by increasing the amount of cGMP.","Pharmacodynamics":"Erections are controlled by the parasympathetic nervous system. Upon sexual stimulation, a decrease in vascular resistance is mediated by acetylcholine and nitric oxide resulting in vasodilation. The hemodynamic mechanism of an erection is comprised of five stages. During the latent stage, arterial and carvernous smooth muscle relaxation occurs. Vasodilation results in high levels of blood flow causing the penis to grow to its full size. This stage is called tumescence. During the full-erection stage, blood flow fills penis sinusoids and outflow is restricted. This is followed by the rigid-erection phase during which the cavernous muscles contract causing the penis to become rigid. Little blood flow occurs during this stage. During the final stage, detumescence, the cavernous muscles relax and blood flows out of the penis. Erectile dysfunction may occur when there is insufficient blood supply to the penis or when the penis is unable to prevent outflow of blood from the penis. Sildenafil is a specific inhibitor of PDE5, an enzyme responsible for the breakdown of cGMP to 5’-GMP. Increased levels of cGMP stimulate vasodilation and facilitate the generation and maintenance of erections. These vasodilatory effects also help decrease symptoms of PAH. Sildenfail also exhibits some activity against PDE6 (10 times less potentcy compared to PDE5), a PDE isoform found predmoninantly in the retina. This activity is responsible for the blue tinged vision experienced by users of sildenafil. ","Absorption":"\u003e90% absorbed with ~40% reaching systemic circulation unchanged following first-pass metabolism","Interactions":[{"ID":"DB00701"},{"ID":"DB06216"},{"ID":"DB01072"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB01319"},{"ID":"DB00224"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00220"},{"ID":"DB00727"},{"ID":"DB06154"},{"ID":"DB00976"},{"ID":"DB01162"},{"ID":"DB00932"},{"ID":"DB01080"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000347","Name":"Sildenafil Citrate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00204","Name":"Dofetilide","DrugType":"small molecule","HalfLife":"10 hours","Description":"Dofetilide is a class III antiarrhythmic agent that is approved by the Food and Drug Administration (FDA) for the maintenance of sinus rhythm in individuals prone to the formation of atrial fibrillation and flutter, and for the chemical cardioversion to sinus rhythm from atrial fibrillation and flutter. [Wikipedia]","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"For the maintenance of normal sinus rhythm (delay in time to recurrence of atrial fibrillation/atrial flutter [AF/AFl]) in patients with atrial fibrillation/atrial flutter of greater than one week duration who have been converted to normal sinus rhythm","Toxicity":"","MechanismOfAction":"The mechanism of action of Dofetilide is a blockade of the cardiac ion channel carrying the rapid component of the delayed rectifier potassium current, IKr. This inhibition of potassium channels results in a prolongation of action potential duration and the effective refractory period of accessory pathways (both anterograde and retrograde conduction in the accessory pathway).","Pharmacodynamics":"Dofetilide is an antiarrhythmic drug with Class III (cardiac action potential duration prolonging) properties and is indicated for the maintenance of normal sinus rhythm. Dofetilide increases the monophasic action potential duration in a predictable, concentration-dependent manner, primarily due to delayed repolarization. At concentrations covering several orders of magnitude, Dofetilide blocks only IKr with no relevant block of the other repolarizing potassium currents (e.g., IKs, IK1). At clinically relevant concentrations, Dofetilide has no effect on sodium channels (associated with Class I effect), adrenergic alpha-receptors, or adrenergic beta-receptors.","Absorption":"\u003e90%","Interactions":[{"ID":"DB06697"},{"ID":"DB00436"},{"ID":"DB00880"},{"ID":"DB00310"},{"ID":"DB00501"},{"ID":"DB01211"},{"ID":"DB00199"},{"ID":"DB08868"},{"ID":"DB00999"},{"ID":"DB00808"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00933"},{"ID":"DB00524"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB01021"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00205","Name":"Pyrimethamine","DrugType":"small molecule","HalfLife":"96 hours","Description":"One of the folic acid antagonists that is used as an antimalarial or with a sulfonamide to treat toxoplasmosis. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the treatment of toxoplasmosis and acute malaria; For the prevention of malaria in areas non-resistant to pyrimethamine","Toxicity":"","MechanismOfAction":"Pyrimethamine inhibits the dihydrofolate reductase of plasmodia and thereby blocks the biosynthesis of purines and pyrimidines, which are essential for DNA synthesis and cell multiplication. This leads to failure of nuclear division at the time of schizont formation in erythrocytes and liver.","Pharmacodynamics":"Pyrimethamine is an antiparasitic compound commonly used as an adjunct in the treatment of uncomplicated, chloroquine resistant, P. falciparum malaria. Pyrimethamine is a folic acid antagonist and the rationale for its therapeutic action is based on the differential requirement between host and parasite for nucleic acid precursors involved in growth. This activity is highly selective against plasmodia and Toxoplasma gondii. Pyrimethamine possesses blood schizonticidal and some tissue schizonticidal activity against malaria parasites of humans. However, the 4-amino-quinoline compounds are more effective against the erythrocytic schizonts. It does not destroy gametocytes, but arrests sporogony in the mosquito. The action of pyrimethamine against Toxoplasma gondii is greatly enhanced when used in conjunction with sulfonamides.","Absorption":"Well absorbed with peak levels occurring between 2 to 6 hours following administration","Interactions":[{"ID":"DB06697"},{"ID":"DB06708"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00193"}],"Salts":[{"ID":"DBSALT000385","Name":"Pyrimethamine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00206","Name":"Reserpine","DrugType":"small molecule","HalfLife":"","Description":"An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use. [PubChem]","Classification":{"Description":"This compound belongs to the yohimbine alkaloids. These are compounds containing the pentacyclic yohimban skeleton.","DirectParent":"Yohimbine Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Yohimbine Alkaloids","SubClass":""},"Indication":"Foe the treatment of hypertension","Toxicity":"Possible human carcinogen. May cause reproductive harm. ORL-RAT LD\u003csub\u003e50\u003c/sub\u003e 420 mg/kg; IPR-RAT LD\u003csub\u003e50\u003c/sub\u003e 44 mg/kg; IVN-RAT LD\u003csub\u003e50\u003c/sub\u003e 15 mg/kg; ORL-MUS LD\u003csub\u003e50\u003c/sub\u003e 200 mg/kg; SCU-MUS LD\u003csub\u003e50\u003c/sub\u003e 52 mg/kg; IPR-RBT LD\u003csub\u003e50\u003c/sub\u003e 7 mg/kg","MechanismOfAction":"Reserpine's mechanism of action is through inhibition of the ATP/Mg\u003csup\u003e2+\u003c/sup\u003e pump responsible for the sequestering of neurotransmitters into storage vesicles located in the presynaptic neuron. The neurotransmitters that are not sequestered in the storage vesicle are readily metabolized by monoamine oxidase (MAO) causing a reduction in catecholamines.","Pharmacodynamics":"Reserpine is an adrenergic blocking agent used to treat mild to moderate hypertension via the disruption of norepinephrine vesicular storage. The antihypertensive actions of Reserpine are a result of its ability to deplete catecholamines from peripheral sympathetic nerve endings. These substances are normally involved in controlling heart rate, force of cardiac contraction and peripheral resistance.","Absorption":"","Interactions":[{"ID":"DB00841"},{"ID":"DB00988"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB06704"},{"ID":"DB01064"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB01001"},{"ID":"DB00871"},{"ID":"DB04844"},{"ID":"DB01030"},{"ID":"DB00752"},{"ID":"DB00374"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00207","Name":"Azithromycin","DrugType":"small molecule","HalfLife":"68 hours","Description":"Azithromycin is a semi-synthetic macrolide antibiotic of the azalide class. Like other macrolide antibiotics, azithromycin inhibits bacterial protein synthesis by binding to the 50S ribosomal subunit of the bacterial 70S ribosome. Binding inhibits peptidyl transferase activity and interferes with amino acid translocation during the process of translation. Its effects may be bacteriostatic or bactericidal depending of the organism and the drug concentration. Its long half life, which enables once daily dosing and shorter administration durations, is a property distinct from other macrolides. ","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"For the treatment of patients with mild to moderate infections caused by susceptible strains of the designated microorganisms in the specific conditions: \u003ci\u003eH. influenzae\u003c/i\u003e, \u003ci\u003eM. catarrhalis\u003c/i\u003e, \u003ci\u003eS. pneumoniae\u003c/i\u003e, \u003ci\u003eC. pneumoniae\u003c/i\u003e, \u003ci\u003eM. pneumoniae\u003c/i\u003e, \u003ci\u003eS. pyogenes\u003c/i\u003e, \u003ci\u003eS. aureus\u003c/i\u003e, \u003ci\u003eS. agal\u003c/i\u003e","Toxicity":"Potentially serious side effects of angioedema and cholestatic jaundice were reported","MechanismOfAction":"Azithromycin binds to the 50S subunit of the 70S bacterial ribosomes, and therefore inhibits RNA-dependent protein synthesis in bacterial cells.","Pharmacodynamics":"Azithromycin, a semisynthetic antibiotic belonging to the macrolide subgroup of azalides, is used to treat STDs due to chlamydia and gonorrhea, community-acquired pneumonia, pelvic inflammatory disease, pediatric otitis media and pharyngitis, and \u003ci\u003eMycobacterium avium\u003c/i\u003e complex (MAC) in patients with advanced HIV disease. Similar in structure to erythromycin. azithromycin reaches higher intracellular concentrations than erythromycin, increasing its efficacy and duration of action.","Absorption":"Bioavailability is 37% following oral administration. Absorption is not affected by food. Azithromycin is extensively distributed in tissues with tissue concentrations reaching up to 50 times greater than plasma concentrations. Drug becomes concentrated within macrophages and polymorphonucleocytes giving it good activity against Chlamydia trachomatis.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB00280"},{"ID":"DB00227"},{"ID":"DB06708"},{"ID":"DB08828"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000882","Name":"Azithromycin dihydrate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]}]},{"ID":"DB00208","Name":"Ticlopidine","DrugType":"small molecule","HalfLife":"Half-life following a single 250-mg dose is approximately 7.9 hours in subjects 20 to 43 years of age and 12.6 hours in subjects 65 to 76 years of age. With repeated dosing (250 mg twice a day), half-life is about 4 days in subjects 20 to 43 years of age and about 5 days in subjects 65 to 76 years of age.","Description":"Ticlopidine is an effective inhibitor of platelet aggregation. It is a prodrug that is metabolised to an active form, which blocks the ADP receptor that is involved in GPIIb/IIIa receptor activation leading to platelet aggregation. Ticlopidine is marketed under the brand name Ticlid and is indicated for patients who cannot take aspirin or in whom aspirin has not worked to prevent a thrombotic stroke. The FDA label includes a black-box warning of neutropenia, aplastic anemia, thrombotic thrombocytopenia purpura, and agranulocytosis, so it is necessary to monitor patients' WBC and platelets when they are taking ticlopidine.\r\n","Classification":{"Description":"This compound belongs to the thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.","DirectParent":"Thienopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienopyridines","SubClass":""},"Indication":"Used in patients, who have had a stroke or stroke precursors and who cannot take aspirin or aspirin has not worked, to try to prevent another thrombotic stroke.\r\n","Toxicity":"Single oral doses of ticlopidine at 1600 mg/kg and 500 mg/kg were lethal to rats and mice, respectively. Symptoms of acute toxicity were GI hemorrhage, convulsions, hypothermia, dyspnea, loss of equilibrium and abnormal gait. The FDA label includes a black-box warning of neutropenia, aplastic anemia, thrombotic thrombocytopenia purpura, and agranulocytosis, so it is necessary to monitor patients' WBC and platelets when they are taking ticlopidine.\r\n","MechanismOfAction":"The active metabolite of ticlopidine prevents binding of adenosine diphosphate (ADP) to its platelet receptor, impairing the ADP-mediated activation of the glycoprotein GPIIb/IIIa complex. It is proposed that the inhibition involves a defect in the mobilization from the storage sites of the platelet granules to the outer membrane. No direct interference occurs with the GPIIb/IIIa receptor. As the glycoprotein GPIIb/IIIa complex is the major receptor for fibrinogen, its impaired activation prevents fibrinogen binding to platelets and inhibits platelet aggregation. By blocking the amplification of platelet activation by released ADP, platelet aggregation induced by agonists other than ADP is also inhibited by the active metabolite of ticlopidine.","Pharmacodynamics":"Ticlopidine is a prodrug that is metabolised to an as yet undetermined metabolite that acts as a platelet aggregation inhibitor. Inhibition of platelet aggregation causes a prolongation of bleeding time. In its prodrug form, ticlopidine has no significant in vitro activity at the concentrations attained in vivo.","Absorption":"Absorption is greater than 80%. Food increases absorption by approximately 20%.","Interactions":[{"ID":"DB00945"},{"ID":"DB00009"},{"ID":"DB06403"},{"ID":"DB01223"},{"ID":"DB00188"},{"ID":"DB00564"},{"ID":"DB00395"},{"ID":"DB01166"},{"ID":"DB00501"},{"ID":"DB00215"},{"ID":"DB00349"},{"ID":"DB01242"},{"ID":"DB00091"},{"ID":"DB00829"},{"ID":"DB00390"},{"ID":"DB00651"},{"ID":"DB01175"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01381"},{"ID":"DB01109"},{"ID":"DB01181"},{"ID":"DB00458"},{"ID":"DB00532"},{"ID":"DB05246"},{"ID":"DB01171"},{"ID":"DB00665"},{"ID":"DB01303"},{"ID":"DB00738"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB00015"},{"ID":"DB01390"},{"ID":"DB00086"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00031"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB00697"},{"ID":"DB00193"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000179","Name":"Ticlopidine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00611","Drugs":["DB00208"]},{"ID":"SMP00261","Drugs":["DB00208"]}]},{"ID":"DB00209","Name":"Trospium","DrugType":"small molecule","HalfLife":"20 hours","Description":"Trospium is a urinary antispasmodic. It is sold under the brand name Sanctura in the US, and as Trosec in Canada. [Wikipedia]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and urinary frequency, detrusor instability and frequency of micturition.","Toxicity":"","MechanismOfAction":"Trospium antagonizes the effect of acetylcholine on muscarinic receptors in cholinergically innervated organs. Its parasympatholytic action reduces the tonus of smooth muscle in the bladder.","Pharmacodynamics":"Trospium is an antispasmodic, antimuscarinic agent indicated for the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and urinary frequency. Receptor assays showed that trospium has negligible affinity for nicotinic receptors as compared to muscarinic receptors at concentrations obtained from therapeutic doses.","Absorption":"9.6%","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00572"},{"ID":"DB00972"},{"ID":"DB00245"},{"ID":"DB00810"},{"ID":"DB01237"},{"ID":"DB00835"},{"ID":"DB00748"},{"ID":"DB01114"},{"ID":"DB00477"},{"ID":"DB00283"},{"ID":"DB00771"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB01176"},{"ID":"DB00924"},{"ID":"DB00979"},{"ID":"DB00434"},{"ID":"DB00496"},{"ID":"DB01151"},{"ID":"DB00967"},{"ID":"DB00405"},{"ID":"DB00804"},{"ID":"DB00985"},{"ID":"DB01075"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00366"},{"ID":"DB00470"},{"ID":"DB00450"},{"ID":"DB00950"},{"ID":"DB01148"},{"ID":"DB00875"},{"ID":"DB00623"},{"ID":"DB00674"},{"ID":"DB00986"},{"ID":"DB00502"},{"ID":"DB00725"},{"ID":"DB00557"},{"ID":"DB00424"},{"ID":"DB00458"},{"ID":"DB00332"},{"ID":"DB01247"},{"ID":"DB00920"},{"ID":"DB00455"},{"ID":"DB00408"},{"ID":"DB00934"},{"ID":"DB00737"},{"ID":"DB04843"},{"ID":"DB00933"},{"ID":"DB00940"},{"ID":"DB00462"},{"ID":"DB01171"},{"ID":"DB01618"},{"ID":"DB00486"},{"ID":"DB00540"},{"ID":"DB00334"},{"ID":"DB01173"},{"ID":"DB01062"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB01619"},{"ID":"DB01100"},{"ID":"DB06153"},{"ID":"DB00761"},{"ID":"DB01278"},{"ID":"DB00433"},{"ID":"DB00387"},{"ID":"DB01069"},{"ID":"DB00782"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00734"},{"ID":"DB00989"},{"ID":"DB00747"},{"ID":"DB00021"},{"ID":"DB01591"},{"ID":"DB00382"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB01409"},{"ID":"DB01036"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00376"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000883","Name":"Trospium chloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00210","Name":"Adapalene","DrugType":"small molecule","HalfLife":"","Description":"Adapalene is a topical retinoid primarily used in the treatment of acne and is also used (off-label) to treat keratosis pilaris as well as other skin conditions. It is currently marketed by Galderma under the trade names Differin in some countries, and Adaferin in India. [Wikipedia]","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"For the topical treatment of comedo, papular and pustular acne (acne vulgaris) of the face, chest or back.","Toxicity":"The acute oral toxicity of adapalene in mice and rats is greater than 10 mL/kg. Chronic ingestion of the drug may lead to the same side effects as those associated with excessive oral intake of Vitamin A.","MechanismOfAction":"Mechanistically, adapalene binds to specific retinoic acid nuclear receptors (gamma and beta) and retinoid X receptors but does not bind to the cytosolic receptor protein. Although the exact mode of action of adapalene is unknown, it is suggested that topical adapalene may normalize the differentiation of follicular epithelial cells resulting in decreased microcomedone formation.","Pharmacodynamics":"Adapalene is a chemically stable retinoid-like compound. Biochemical and pharmacological profile studies have demonstrated that adapalene is a modulator of cellular differentiation, keratinization, and inflammatory processes all of which represent important features in the pathology of acne vulgaris.","Absorption":"Absorption of adapalene through human skin is low. Only trace amounts (\u003c0.25 ng/mL) of parent substance have been found in the plasma of acne patients following chronic topical application of adapalene in controlled clinical trials","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00211","Name":"Midodrine","DrugType":"small molecule","HalfLife":"The plasma levels of the prodrug peak after about half an hour, and decline with a half-life of approximately 25 minutes, while the metabolite reaches peak blood concentrations about 1 to 2 hours after a dose of midodrine and has a half-life of about 3 to 4 hours.","Description":"An ethanolamine derivative that is an adrenergic alpha agonist. It is used as a vasoconstrictor agent in the treatment of hypotension. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of symptomatic orthostatic hypotension (OH).","Toxicity":"Symptoms of overdose could include hypertension, piloerection (goosebumps), a sensation of coldness and urinary retention. The single doses that would be associated with symptoms of overdosage or would be potentially life- threatening are unknown. The oral LD\u003csub\u003e50\u003c/sub\u003e is approximately 30 to 50 mg/kg in rats, 675 mg/kg in mice, and 125 to 160 mg/kg in dogs. Desglymidodrine is dialyzable.","MechanismOfAction":"Midodrine forms an active metabolite, desglymidodrine, that is an alpha\u003csub\u003e1\u003c/sub\u003e-agonist, and exerts its actions via activation of the alpha-adrenergic receptors of the arteriolar and venous vasculature, producing an increase in vascular tone and elevation of blood pressure. Desglymidodrine does not stimulate cardiac beta-adrenergic receptors.","Pharmacodynamics":"Midodrine is a prodrug, i.e., the therapeutic effect of orally administered midodrine is due to the major metabolite desglymidodrine formed by deglycination of midodrine. Desglymidodrine diffuses poorly across the blood-brain barrier, and is therefore not associated with effects on the central nervous system. Administration of midodrine results in a rise in standing, sitting, and supine systolic and diastolic blood pressure in patients with orthostatic hypotension of various etiologies. Standing systolic blood pressure is elevated by approximately 15 to 30 mmHg at 1 hour after a 10-mg dose of midodrine, with some effect persisting for 2 to 3 hours. Midodrine has no clinically significant effect on standing or supine pulse rates in patients with autonomic failure.","Absorption":"Rapidly absorbed following oral administration. The absolute bioavailability of midodrine (measured as desglymidodrine) is 93% and is not affected by food.","Interactions":[{"ID":"DB00443"},{"ID":"DB01380"},{"ID":"DB01234"},{"ID":"DB00841"},{"ID":"DB00988"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00687"},{"ID":"DB00741"},{"ID":"DB01247"},{"ID":"DB01064"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB00959"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB01384"},{"ID":"DB00780"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB01367"},{"ID":"DB01001"},{"ID":"DB00871"},{"ID":"DB00752"},{"ID":"DB00620"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT000250","Name":"Midodrine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00212","Name":"Remikiren","DrugType":"small molecule","HalfLife":"","Description":"Remikiren is an orally active, high specificity renin inhibitor.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of hypertension and heart failure","Toxicity":"","MechanismOfAction":"Several in vivo experiments have shown that remikiren is specific for renin and does not decrease arterial pressure by an unrelated mechanism.","Pharmacodynamics":"Remikiren is an orally available renin inhibitor with an established blood pressure-lowering effect in patients with essential hypertension. No data are available on the renal effects of remikiren in humans. In patients with essential hypertension, a single oral dose of remikiren can induce a renal vasodilation, without affecting the GFR and despite a significant decrease in blood pressure. This systemic and renal hemodynamic response is more pronounced in case of a more activated renin-angiotensin system.","Absorption":"Absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00213","Name":"Pantoprazole","DrugType":"small molecule","HalfLife":"1 hour","Description":"Pantoprazole is a proton pump inhibitor drug used for short-term treatment of erosion and ulceration of the esophagus caused by gastroesophageal reflux disease.","Classification":{"Description":"This compound belongs to the sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.","DirectParent":"Sulfinylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Sulfinylbenzimidazoles"},"Indication":"Short-term (up to 16 weeks) treatment of erosive esophagitis.","Toxicity":"Single intravenous doses of pantoprazole at 378, 230, and 266 mg/kg (38, 46, and 177 times the recommended human dose based on body surface area) were lethal to mice, rats and dogs, respectively. The symptoms of toxicity included hypoactivity, ataxia, hunched sitting, limb-splay, lateral position, segregation, absence of ear reflex, and tremor. There is limited experience regarding cases of human overdosage, and treatment should be symptomatic and supportive.","MechanismOfAction":"Pantoprazole is a proton pump inhibitor (PPI) that suppresses the final step in gastric acid production by forming a covalent bond to two sites of the (H\u003csup\u003e+\u003c/sup\u003e,K\u003csup\u003e+\u003c/sup\u003e )- ATPase enzyme system at the secretory surface of the gastric parietal cell. This effect is dose- related and leads to inhibition of both basal and stimulated gastric acid secretion irrespective of the stimulus.","Pharmacodynamics":"Pantoprazole is a substituted benzimidazole indicated for the short-term treatment (up to 16 weeks) in the healing and symptomatic relief of erosive esophagitis. Pantoprazole is a proton pump inhibitor (PPI) that suppresses the final step in gastric acid production.","Absorption":"Pantoprazole is well absorbed. It undergoes little first-pass metabolism resulting in an absolute bioavailability of approximately 77%.","Interactions":[{"ID":"DB01072"},{"ID":"DB01066"},{"ID":"DB00758"},{"ID":"DB06695"},{"ID":"DB08912"},{"ID":"DB01254"},{"ID":"DB00467"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB08864"},{"ID":"DB01030"}],"Salts":[{"ID":"DBSALT000853","Name":"Pantoprazole Magnesium"},{"ID":"DBSALT000386","Name":"Pantoprazole Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00214","Name":"Torasemide","DrugType":"small molecule","HalfLife":"3.5 hours","Description":"Torasemide (rINN) or torsemide (USAN) is a pyridine-sulfonylurea type loop diuretic mainly used in the management of edema associated with congestive heart failure. It is also used at low doses for the management of hypertension. It is marketed under the brand name Demadex. [Wikipedia]","Classification":{"Description":"This compound belongs to the pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.","DirectParent":"Pyridinesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinesulfonamides"},"Indication":"For the treatment of edema associated with congestive heart failure, renal disease, or hepatic disease. Also for the treatment of hypertension alone or in combination with other antihypertensive agents.","Toxicity":"Symptoms of overdose include dehydration, hypovolemia, hypotension, hyponatremia, hypokalemia, hypochloremic alkalosis, and hemoconcentration. Oral LD\u003csub\u003e50\u003c/sub\u003e in rat is 5 g/kg, and intravenous LD\u003csub\u003e50\u003c/sub\u003e in rat is 500 mg/kg.","MechanismOfAction":"Torasemide inhibits the Na\u003csup\u003e+\u003c/sup\u003e/K\u003csup\u003e+\u003c/sup\u003e/2Cl\u003csup\u003e-\u003c/sup\u003e-carrier system (via interference of the chloride binding site) in the lumen of the thick ascending portion of the loop of Henle, resulting in a decrease in reabsorption of sodium and chloride. This results in an increase in the rate of delivery of tubular fluid and electrolytes to the distal sites of hydrogen and potassium ion secretion, while plasma volume contraction increases aldosterone production. The increased delivery and high aldosterone levels promote sodium reabsorption at the distal tubules, and By increasing the delivery of sodium to the distal renal tubule, torasemide indirectly increases potassium excretion via the sodium-potassium exchange mechanism. Torasemide's effects in other segments of the nephron have not been demonstrated. Thus torasemide increases the urinary excretion of sodium, chloride, and water, but it does not significantly alter glomerular filtration rate, renal plasma flow, or acid-base balance. Torasemide's effects as a antihypertensive are due to its diuretic actions. By reducing extracellular and plasma fluid volume, blood pressure is reduced temporarily, and cardiac output also decreases.","Pharmacodynamics":"Torasemide (INN) or torsemide (USAN) is a novel loop diuretic belonging to pridine sulphonyl urea. It differs form other thiazide diuretics in that a double ring system is incorporated into its structure. Like thiazides, loop diuretics must be secreted into the tubular fluid by proximal tubule cells. In the thick ascending loop Na+ and Cl- reabsorption is accomplished by a Na\u003csup\u003e+\u003c/sup\u003e/K\u003csup\u003e+\u003c/sup\u003e/2Cl\u003csup\u003e-\u003c/sup\u003e symporter. The thick ascending limb has a high reabsorptive capacity and is responsible for reabsorbing 25% of the filtered load of Na\u003csup\u003e+\u003c/sup\u003e. The loop diuretics act by blocking this symporter. Because of the large absorptive capacity and the amount of Na\u003csup\u003e+\u003c/sup\u003e delivered to the ascending limb, loop diuretics have a profound diuretic action. In addition, more distal nephron segments do not have the reabsorptive capacity to compensate for this increased load. The osmotic gradient for water reabsorption is also reduced resulting in an increase in the amount of water excreted.","Absorption":"Rapidly absorbed following oral administration. Absolute bioavailability is 80%. Food has no effect on absorption.","Interactions":[{"ID":"DB01143"},{"ID":"DB00479"},{"ID":"DB01101"},{"ID":"DB01432"},{"ID":"DB00930"},{"ID":"DB00375"},{"ID":"DB00705"},{"ID":"DB00322"},{"ID":"DB00196"},{"ID":"DB00544"},{"ID":"DB00712"},{"ID":"DB01241"},{"ID":"DB00798"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01026"},{"ID":"DB00784"},{"ID":"DB01110"},{"ID":"DB00955"},{"ID":"DB00622"},{"ID":"DB00554"},{"ID":"DB00073"},{"ID":"DB06268"},{"ID":"DB00359"},{"ID":"DB00263"},{"ID":"DB00684"},{"ID":"DB01124"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00118","Drugs":["DB00151","DB00214","DB01345","DB03904"]}]},{"ID":"DB00215","Name":"Citalopram","DrugType":"small molecule","HalfLife":"35 hours","Description":"Citalopram hydrobromide belongs to a class of antidepressant agents known as selective serotonin-reuptake inhibitors (SSRIs). Citalopram and its N-demethylated metabolites exist as a racemic mixture but its effects are largely due to the S-enantiomer, S-citalopram and S-demthylcitalopram. Despite distinct structural differences between compounds in this class, SSRIs possess similar pharmacological activity. As with other antidepressant agents, several weeks of therapy may be required before a clinical effect is seen. SSRIs are potent inhibitors of neuronal serotonin reuptake. They have little to no effect on norepinephrine or dopamine reuptake and do not antagonize \u0026alpha;- or \u0026beta;-adrenergic, dopamine D\u003csub\u003e2\u003c/sub\u003e or histamine H\u003csub\u003e1\u003c/sub\u003e receptors. During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. Chronic use leads to desensitization of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. The overall clinical effect of increased mood and decreased anxiety is thought to be due to adaptive changes in neuronal function that leads to enhanced serotonergic neurotransmission. Side effects include dry mouth, nausea, dizziness, drowsiness, sexual dysfunction and headache. Side effects generally occur within the first two weeks of therapy and are usually less severe and frequent than those observed with tricyclic antidepressants. Citalopram is approved for treatment of depression. Unlabeled indications include mild dementia-associated agitation in nonpsychotic patients, smoking cessation, ethanol abuse, obsessive-compulsive disorder (OCD) in children, and diabetic neuropathy. Citalopram has the fewest drug-drug interactions of the SSRIs. ","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"For the treatment of depression. Unlabeled indications include: treatment of mild dementia-associated agitation in nonpsychotic patients, smoking cessation, ethanol abuse, obsessive-compulsive disorder (OCD) in children, and diabetic neuropathy. ","Toxicity":"Symptoms most often accompanying citalopram overdose, alone or in combination with other drugs and/or alcohol, included dizziness, sweating, nausea, vomiting, tremor, somnolence, and sinus tachycardia. In more rare cases, observed symptoms included amnesia, confusion, coma, convulsions, hyperventilation, cyanosis, rhabdomyolysis, and ECG changes (including QTc prolongation, nodal rhythm, ventricular arrhythmia, and very rare cases of torsade de pointes). Acute renal failure has been very rarely reported accompanying overdose. Withdrawal symptoms include flu-like symptoms, insomnia, nausea, imbalance, sensory changes and hyperactivity. ","MechanismOfAction":"The antidepressant, antiobsessive-compulsive, and antibulimic actions of citalopram are presumed to be linked to its inhibition of CNS neuronal uptake of serotonin. Citalopram blocks the reuptake of serotonin at the serotonin reuptake pump of the neuronal membrane, enhancing the actions of serotonin on 5HT\u003csub\u003e1A\u003c/sub\u003e autoreceptors. SSRIs bind with significantly less affinity to histamine, acetylcholine, and norepinephrine receptors than tricyclic antidepressant drugs.","Pharmacodynamics":"Citalopram is one of a class of antidepressants known as selective serotonin reuptake inhibitors (SSRIs). It is used to treat the depression associated with mood disorders. It is also used on occassion in the treatment of body dysmorphic disorder and anxiety. The antidepressant, antiobsessive-compulsive, and antibulimic actions of citalopram are presumed to be linked to its inhibition of CNS neuronal uptake of serotonin. \u003ci\u003eIn vitro\u003c/i\u003e studies show that citalopram is a potent and selective inhibitor of neuronal serotonin reuptake and has only very weak effects on norepinephrine and dopamine neuronal reuptake. Citalopram has no significant affinity for adrenergic (\u0026alpha;\u003csub\u003e1\u003c/sub\u003e, \u0026alpha;\u003csub\u003e2\u003c/sub\u003e, \u0026beta;), cholinergic, GABA, dopaminergic, histaminergic, serotonergic (5HT\u003csub\u003e1A\u003c/sub\u003e, 5HT\u003csub\u003e1B\u003c/sub\u003e, 5HT\u003csub\u003e2\u003c/sub\u003e), or benzodiazepine receptors; antagonism of such receptors has been hypothesized to be associated with various anticholinergic, sedative, and cardiovascular effects for other psychotropic drugs. The chronic administration of citalopram was found to downregulate brain norepinephrine receptors, as has been observed with other drugs effective in the treatment of major depressive disorder. Citalopram does not inhibit monoamine oxidase.","Absorption":"Rapidly and well absorbed from the GI tract. Peak plasma concentrations occur within 4 hours of a single orally administered dose. Bioavailability is 80% following oral administration. Food does not affect absorption. ","Interactions":[{"ID":"DB01418"},{"ID":"DB00918"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB01136"},{"ID":"DB01211"},{"ID":"DB00363"},{"ID":"DB06700"},{"ID":"DB00266"},{"ID":"DB00216"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB00998"},{"ID":"DB01381"},{"ID":"DB01247"},{"ID":"DB01321"},{"ID":"DB01009"},{"ID":"DB00601"},{"ID":"DB06708"},{"ID":"DB00264"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB00497"},{"ID":"DB00780"},{"ID":"DB01100"},{"ID":"DB00571"},{"ID":"DB01367"},{"ID":"DB00953"},{"ID":"DB01037"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB00976"},{"ID":"DB01600"},{"ID":"DB00208"},{"ID":"DB00500"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB01361"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000027","Name":"Citalopram Hydrobromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00216","Name":"Eletriptan","DrugType":"small molecule","HalfLife":"The terminal elimination half-life of eletriptan is approximately 4 hours.","Description":"Eletriptan is a second generation triptan drug developed by Pfizer Inc for the treatment of migraine headaches. [Wikipedia]","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"For the acute treatment of migraine with or without aura in adults.","Toxicity":"Based on the pharmacology of the 5-HT1B/1D agonists, hypertension or other more serious cardiovascular symptoms could occur on overdose.","MechanismOfAction":"Eletriptan binds with high affinity to 5-HT1B, 5-HT1D and 5-HT1F receptors, has modest affinity for 5-HT1A, 5-HT1E, 5-HT2B and 5-HT7 receptors, and little or no affinity for 5-HT2A, 5-HT2C, 5-HT3, 5-HT4, 5-HT5A and 5-HT6 receptors. Eletriptan has no significant affinity or pharmacological activity at adrenergic alpha1, alpha2, or beta; dopaminergic D1 or D2; muscarinic; or opioid receptors. Two theories have been proposed to explain the efficacy of 5-HT receptor agonists in migraine. One theory suggests that activation of 5-HT1 receptors located on intracranial blood vessels, including those on the arteriovenous anastomoses, leads to vasoconstriction, which is correlated with the relief of migraine headache. The other hypothesis suggests that activation of 5-HT1 receptors on sensory nerve endings in the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release.","Pharmacodynamics":"Eletriptan is a selective 5-hydroxytryptamine 1B/1D receptor agonist. In the anesthetized dog, eletriptan has been shown to reduce carotid arterial blood flow, with only a small increase in arterial blood pressure at high doses. While the effect on blood flow was selective for the carotid arterial bed, decreases in coronary artery diameter were observed. Eletriptan has also been shown to inhibit trigeminal nerve activity in the rat.","Absorption":"Well absorbed after oral administration with a mean absolute bioavailability of approximately 50%.","Interactions":[{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB06700"},{"ID":"DB00320"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00715"},{"ID":"DB00503"},{"ID":"DB01104"},{"ID":"DB00976"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB01361"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000884","Name":"Eletriptan hydrobromide"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00217","Name":"Bethanidine","DrugType":"small molecule","HalfLife":"9 hours (range 7 to 11 hours)","Description":"A guanidinium antihypertensive agent that acts by blocking adrenergic transmission.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the treatment of hypertension.","Toxicity":"","MechanismOfAction":"Bethanidine, a guanidine derivative, is a peripherally acting antiadrenergic agent which primarily acts as an alpha2a adrenergic agonist. Bethanidine effectively decreases blood pressure by suppressing renin secretion or interfering with function of the sympathetic nervous system.","Pharmacodynamics":"Bethanidine is a guanidinium antihypertensive agent that acts by blocking adrenergic transmission. The precise mode of action is not clear. Although bethanidine may produce adverse effects, they are beneficial in severe hypertension and produce fewer side effects than guanethidine.","Absorption":"Absorbed rapidly in the gastrointestinal tract following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000194","Name":"Bethanidine sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00218","Name":"Moxifloxacin","DrugType":"small molecule","HalfLife":"11.5-15.6 hours (single dose, oral)","Description":"Moxifloxacin is a synthetic fluoroquinolone antibiotic agent. Bayer AG developed the drug (initially called BAY 12-8039) and it is marketed worldwide (as the hydrochloride) under the brand name Avelox (in some countries also Avalox) for oral treatment.","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of sinus and lung infections such as sinusitis, pneumonia, and secondary infections in chronic bronchitis. Also for the treatment of bacterial conjunctivitis (pinkeye).","Toxicity":"Symptoms of overdose include CNS and gastrointestinal effects such as decreased activity, somnolence, tremor, convulsions, vomiting, and diarrhea. The minimal lethal intravenous dose in mice and rats is 100 mg/kg.","MechanismOfAction":"The bactericidal action of moxifloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV. DNA gyrase is an essential enzyme that is involved in the replication, transcription and repair of bacterial DNA. Topoisomerase IV is an enzyme known to play a key role in the partitioning of the chromosomal DNA during bacterial cell division.","Pharmacodynamics":"Moxifloxacin is a quinolone/fluoroquinolone antibiotic. Moxifloxacin can be used to treat infections caused by the following bacteria: Aerobic Gram-positive microorganisms: \u003ci\u003eCorynebacterium\u003c/i\u003e species, \u003ci\u003eMicrococcus luteus\u003c/i\u003e, \u003ci\u003eStaphylococcus aureus\u003c/i\u003e, \u003ci\u003eStaphylococcus epidermidis\u003c/i\u003e, \u003ci\u003eStaphylococcus haemolyticus\u003c/i\u003e, \u003ci\u003eStaphylococcus hominis\u003c/i\u003e, \u003ci\u003eStaphylococcus warneri\u003c/i\u003e, \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, and \u003ci\u003eStreptococcus viridans\u003c/i\u003e group. Aerobic Gram-negative microorganisms: \u003ci\u003eAcinetobacter lwoffii\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e, and \u003ci\u003eHaemophilus parainfluenzae\u003c/i\u003e. Other microorganisms: \u003ci\u003eChlamydia trachomatis\u003c/i\u003e.\u003cbr/\u003eMoxifloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase, which allows the untwisting required to replicate one DNA double helix into two. Notably the drug has 100 times higher affinity for bacterial DNA gyrase than for mammalian. Moxifloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria.","Absorption":"Well absorbed from the gastrointestinal tract. Absolute oral bioavailability is approximately 90%. Food has little effect on absorption.","Interactions":[{"ID":"DB01418"},{"ID":"DB01370"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB01244"},{"ID":"DB01158"},{"ID":"DB01373"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB00280"},{"ID":"DB00199"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01321"},{"ID":"DB06708"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00489"},{"ID":"DB00364"},{"ID":"DB00864"},{"ID":"DB01623"},{"ID":"DB00697"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB01593"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000387","Name":"Moxifloxacin Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00219","Name":"Oxyphenonium","DrugType":"small molecule","HalfLife":"","Description":"A quaternary ammonium anticholinergic agent with peripheral side effects similar to those of atropine. It is used as an adjunct in the treatment of gastric and duodenal ulcer, and to relieve visceral spasms. The drug has also been used in the form of eye drops for mydriatic effect. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For the treatment of visceral spasms","Toxicity":"","MechanismOfAction":"Action is achieved via a dual mechanism: (1) a specific anticholinergic effect (antimuscarinic) at the acetylcholine-receptor sites and (2) a direct effect upon smooth muscle (musculotropic).","Pharmacodynamics":"Oxyphenonium is an anticholinergic drug, a medication that reduces the effect of acetylcholine, a chemical released from nerves that stimulates muscles, by blocking the receptors for acetylcholine on smooth muscle (a type of muscle). It also has a direct relaxing effect on smooth muscle. Oxyphenonium is used to treat or prevent spasm in the muscles of the gastrointestinal tract in the irritable bowel syndrome. In addition, Oxyphenonium inhibits gastrointestinal propulsive motility and decreases gastric acid secretion and controls excessive pharyngeal, tracheal and bronchial secretions.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000207","Name":"Oxyphenonium Bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00220","Name":"Nelfinavir","DrugType":"small molecule","HalfLife":"3.5 - 5 hours","Description":"A potent HIV-1 protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used in combination with other antiviral drugs in the treatment of HIV in both adults and children.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e is over 5g/kg in rats. Side effects include thirst and hunger, unexplained weight loss, increased urination, fatigue, and dry, itchy skin.","MechanismOfAction":"Nelfinavir inhibits the HIV viral proteinase enzyme which prevents cleavage of the gag-pol polyprotein, resulting in noninfectious, immature viral particles.","Pharmacodynamics":"Nelfinavir is a protease inhibitor with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Protease inhibitors block the part of HIV called protease. HIV-1 protease is an enzyme required for the proteolytic cleavage of the viral polyprotein precursors into the individual functional proteins found in infectious HIV-1. Nelfinavir binds to the protease active site and inhibits the activity of the enzyme. This inhibition prevents cleavage of the viral polyproteins resulting in the formation of immature non-infectious viral particles. Protease inhibitors are almost always used in combination with at least two other anti-HIV drugs.","Absorption":"Well absorbed following oral administration.","Interactions":[{"ID":"DB01048"},{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB00404"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB01558"},{"ID":"DB06772"},{"ID":"DB00475"},{"ID":"DB01410"},{"ID":"DB00604"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB00496"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB00320"},{"ID":"DB01341"},{"ID":"DB00216"},{"ID":"DB00700"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB01215"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00813"},{"ID":"DB00690"},{"ID":"DB02703"},{"ID":"DB00801"},{"ID":"DB00227"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB00683"},{"ID":"DB00238"},{"ID":"DB01100"},{"ID":"DB08901"},{"ID":"DB01588"},{"ID":"DB01589"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00243"},{"ID":"DB01045"},{"ID":"DB06335"},{"ID":"DB00203"},{"ID":"DB00641"},{"ID":"DB01591"},{"ID":"DB01323"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00906"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":[{"ID":"DBSALT000885","Name":"Nelfinavir mesylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00221","Name":"Isoetarine","DrugType":"small molecule","HalfLife":"","Description":"Isoetarine is a selective adrenergic beta-2 agonist used as fast acting bronchodilator for emphysema, bronchitis and asthma. [PubChem]","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the treatment of asthma, wheezing, and chronic asthmatic bronchitis.","Toxicity":"Signs of overdose include tachycardia, palpitations, nausea, headache, and epinephrine-like side effects.","MechanismOfAction":"The pharmacologic effects of isoetharine are attributable to stimulation through beta-adrenergic receptors of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic AMP. Increased cyclic AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.","Pharmacodynamics":"Isoetharine is a relatively selective beta2-adrenergic bronchodilator. Isoetharine is indicated for the relief of bronchospasm associated with chronic obstructive pulmonary disease. Adrenergic bronchodilators are breathed in through the mouth to open up the bronchial tubes (air passages) of the lungs.","Absorption":"","Interactions":[{"ID":"DB00494"}],"Salts":[{"ID":"DBSALT000349","Name":"Isoetarine hydrochloride"},{"ID":"DBSALT000886","Name":"Isoetharine mesylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00222","Name":"Glimepiride","DrugType":"small molecule","HalfLife":"Approximately 5 hours following single dose.","Description":"Glimepiride is the first III generation sulphonyl urea it is a very potent sulphonyl urea with long duration of action.","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For concomitant use with insulin for the treatment of noninsulin-dependent (type 2) diabetes mellitus.","Toxicity":"Severe hypoglycemic reactions with coma, seizure, or other neurological impairment.","MechanismOfAction":"The mechanism of action of glimepiride in lowering blood glucose appears to be dependent on stimulating the release of insulin from functioning pancreatic beta cells, and increasing sensitivity of peripheral tissues to insulin. Glimepiride likely binds to ATP-sensitive potassium channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Membrane depolarization stimulates calcium ion influx through voltage-sensitive calcium channels. This increase in intracellular calcium ion concentration induces the secretion of insulin.","Pharmacodynamics":"Glimepiride, like glyburide and glipizide, is a \"second-generation\" sulfonylurea agents. Glimepiride is used with diet to lower blood glucose by increasing the secretion of insulin from pancreas and increasing the sensitivity of peripheral tissues to insulin.","Absorption":"Completely (100%) absorbed following oral administration.","Interactions":[{"ID":"DB00091"},{"ID":"DB01241"},{"ID":"DB01296"},{"ID":"DB01026"},{"ID":"DB01045"},{"ID":"DB00052"},{"ID":"DB01124"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00223","Name":"Diflorasone","DrugType":"small molecule","HalfLife":"","Description":"Diflorasone is a topical corticosteroid used to treat itching and inflammation of the skin.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For relief of the inflammatory and pruritic manifestations of corticosteroid responsive dermatoses.","Toxicity":"Topically applied diflorasone can be absorbed in sufficient amounts to produce systemic effects. Symptoms of overdose include thinning of skin and suppression of adrenal cortex (decreased ability to respond to stress).","MechanismOfAction":"The precise mechanism of the antiinflammatory activity of topical steroids in the treatment of steroid-responsive dermatoses, in general, is uncertain. However, corticosteroids are thought to act by the induction of phospholipase A\u003csub\u003e2\u003c/sub\u003e inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A\u003csub\u003e2\u003c/sub\u003e.","Pharmacodynamics":"Like other topical corticosteroids, diflorasone has anti-inflammatory, antipruritic, and vasoconstrictive properties. Once absorbed through the skin, topical corticosteroids are handled through pharmacokinetic pathways similar to systemically administered corticosteroids. Diflorasone is a potent topical corticosteroid that should not be used with occlusive dressings. It is recommended that treatment should be limited to 2 consecutive weeks and therapy should be discontinued when adequate results have been achieved.","Absorption":"Topical corticosteroids can be absorbed from intact healthy skin. The extent of percutaneous absorption of topical corticosteroids is determined by many factors, including the vehicle and the integrity of the epidermal barrier. Occlusion, inflammation and/or other disease processes in the skin may also increase percutaneous absorption.","Interactions":null,"Salts":[{"ID":"DBSALT000887","Name":"Diflorasone diacetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00224","Name":"Indinavir","DrugType":"small molecule","HalfLife":"1.8 (\u0026plusmn; 0.4) hours","Description":"A potent and specific HIV protease inhibitor that appears to have good oral bioavailability. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Indinavir is an antiretroviral drug for the treatment of HIV infection.","Toxicity":"Symptoms of overdose include myocardial infarction and angina pectoris.","MechanismOfAction":"Indinavir inhibits the HIV viral protease enzyme which prevents cleavage of the gag-pol polyprotein, resulting in noninfectious, immature viral particles.","Pharmacodynamics":"Indinavir is a protease inhibitor with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Protease inhibitors block the part of HIV called protease. HIV-1 protease is an enzyme required for the proteolytic cleavage of the viral polyprotein precursors into the individual functional proteins found in infectious HIV-1. Indinavir binds to the protease active site and inhibits the activity of the enzyme. This inhibition prevents cleavage of the viral polyproteins resulting in the formation of immature non-infectious viral particles. Protease inhibitors are almost always used in combination with at least two other anti-HIV drugs.","Absorption":"Rapidly absorbed","Interactions":[{"ID":"DB01048"},{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB00404"},{"ID":"DB01370"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB01558"},{"ID":"DB06772"},{"ID":"DB01373"},{"ID":"DB00564"},{"ID":"DB00475"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB00705"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB00320"},{"ID":"DB00625"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB00736"},{"ID":"DB01215"},{"ID":"DB00813"},{"ID":"DB00690"},{"ID":"DB02703"},{"ID":"DB00801"},{"ID":"DB01026"},{"ID":"DB00448"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00683"},{"ID":"DB00338"},{"ID":"DB00213"},{"ID":"DB01100"},{"ID":"DB08901"},{"ID":"DB01588"},{"ID":"DB01589"},{"ID":"DB01369"},{"ID":"DB01129"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00734"},{"ID":"DB01232"},{"ID":"DB06335"},{"ID":"DB00203"},{"ID":"DB06207"},{"ID":"DB01323"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00906"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00126"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":[{"ID":"DBSALT000338","Name":"Indinavir sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00225","Name":"Gadodiamide","DrugType":"small molecule","HalfLife":"Two-compartment model with mean distribution and elimination half-lives (reported as mean \u0026plusmn; SD) of 3.7 \u0026plusmn; 2.7 minutes and 77.8 \u0026plusmn; 16 minutes, respectively.","Description":"Gadodiamide is a gadolinium based contrast agent used in MR imaging procedures to assist in the visualization of blood vessels. It is commonly marketed under the trade name Omniscan. [Wikipedia]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For intravenous use in MRI to visualize lesions with abnormal vascularity (or those thought to cause abnormalities in the blood-brain barrier) in the brain (intracranial lesions), spine, and associated tissues.","Toxicity":"","MechanismOfAction":"Based on the behavior of protons when placed in a strong magnetic field, which is interpreted and transformed into images by magnetic resonance (MR) instruments. Paramagnetic agents have unpaired electrons that generate a magnetic field about 700 times larger than the proton's field, thus disturbing the proton's local magnetic field. When the local magnetic field around a proton is disturbed, its relaxation process is altered. MR images are based on proton density and proton relaxation dynamics. MR instruments can record 2 different relaxation processes, the T1 (spin-lattice or longitudinal relaxation time) and the T2 (spin-spin or transverse relaxation time). In magnetic resonance imaging (MRI), visualization of normal and pathological brain tissue depends in part on variations in the radiofrequency signal intensity that occur with changes in proton density, alteration of the T1, and variation in the T2. When placed in a magnetic field, gadodiamide shortens both the T1 and the T2 relaxation times in tissues where it accumulates. At clinical doses, gadodiamide primarily affects the T1 relaxation time, thus producing an increase in signal intensity. Gadodiamide does not cross the intact blood-brain barrier; therefore, it does not accumulate in normal brain tissue or in central nervous system (CNS) lesions that have not caused an abnormal blood-brain barrier (e.g., cysts, mature post-operative scars). Abnormal vascularity or disruption of the blood-brain barrier allows accumulation of gadodiamide in lesions such as neoplasms, abscesses, and subacute infarcts.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000888","Name":"Gadodiamide hydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00226","Name":"Guanadrel","DrugType":"small molecule","HalfLife":"10 hours","Description":"Guanadrel is a postganglionic adrenergic blocking agent. Uptake of guanadrel and storage in sympathetic neurons occurs via the norepinephrine pump or transporter.","Classification":{"Description":"This compound belongs to the 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.","DirectParent":"1,3-Dioxolanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dioxolanes","SubClass":"1,3-Dioxolanes"},"Indication":"Used to treat and control hypertension.","Toxicity":"Side effects include dizziness, drowsiness, headache, constipation, diarrhea, gas pains, loss of appetite, fatigue, and nasal congestion.","MechanismOfAction":"Guanadrel is a postganglionic adrenergic blocking agent. Uptake of guanadrel and storage in sympathetic neurons occurs via the norepinephrine pump or transporter. Guanadrel slowly displaces norepinephrine from its storage in nerve endings and thereby blocks the release of norepinephrine normally produced by nerve stimulation. The reduction in neurotransmitter release in response to sympathetic nerve stimulation, as a result of catecholamine depletion, leads to reduced arteriolar vasoconstriction, especially the reflex increase in sympathetic tone that occurs with a change in position.","Pharmacodynamics":"High blood pressure adds to the work load of the heart and arteries. If it continues for a long time, the heart and arteries may not function properly. This can damage the blood vessels of the brain, heart, and kidneys resulting in a stroke, heart failure, or kidney failure. High blood pressure may also increase the risk of heart attacks. These problems may be less likely to occur if blood pressure is controlled. Guanadrel works by controlling nerve impulses along certain nerve pathways. As a result, it relaxes the blood vessels so that blood passes through them more easily. This helps to lower blood pressure.","Absorption":"Rapidly and readily absorbed from the gastrointestinal tract.","Interactions":null,"Salts":[{"ID":"DBSALT000889","Name":"Guanadrel sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00227","Name":"Lovastatin","DrugType":"small molecule","HalfLife":"5.3 hours","Description":"Lovastatin is a cholesterol-lowering agent that belongs to the class of medications called statins. It was the second agent of this class discovered. It was discovered by Alfred Alberts and his team at Merck in 1978 after screening only 18 compounds over 2 weeks. The agent, also known as mevinolin, was isolated from the fungi \u003ci\u003eAspergillus terreus\u003c/i\u003e. Research on this compound was suddenly shut down in 1980 and the drug was not approved until 1987. Interesting, Akira Endo at Sankyo Co. (Japan) patented lovastatin isolated from \u003ci\u003eMonascus ruber\u003c/i\u003e four months before Merck. Lovastatin was found to be 2 times more potent than its predecessor, mevastatin, the first discovered statin. Like mevastatin, lovastatin is structurally similar to hydroxymethylglutarate (HMG), a substituent of HMG-Coenzyme A (HMG-CoA), a substrate of the cholesterol biosynthesis pathway via the mevalonic acid pathway. Lovastatin is a competitive inhibitor of HMG-CoA reductase with a binding affinity 20,000 times greater than HMG-CoA. Lovastatin differs structurally from mevastatin by a single methyl group at the 6’ position. Lovastatin is a prodrug that is activated by \u003ci\u003ein vivo\u003c/i\u003e hydrolysis of the lactone ring. It, along with mevastatin, has served as one of the lead compounds for the development of the synthetic compounds used today.","Classification":{"Description":"This compound belongs to the delta valerolactones. These are cyclic organic compounds containing a 1-hydroxy-3,4,5,6-tetrahydro-1,2-thiazin-1- one moiety.","DirectParent":"Delta Valerolactones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactones","SubClass":"Delta Valerolactones"},"Indication":"For management as an adjunct to diet to reduce elevated total-C, LDL-C, apo B, and TG levels in patients with primary hypercholesterolemia and mixed dyslipidemia. For primary prevention of coronary heart disease and to slow progression of coronary atherosclerosis in patients with coronary heart disease. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e\u003e1000 mg/kg (orally in mice)","MechanismOfAction":"Lovastatin is structurally similar to the HMG, a substituent of the endogenous substrate of HMG-CoA reductase. Lovastatin is a prodrug that is activated \u003ci\u003ein vivo\u003c/i\u003e via hydrolysis of the lactone ring to form the β-hydroxyacid. The hydrolyzed lactone ring mimics the tetrahedral intermediate produced by the reductase allowing the agent to bind to HMG-CoA reductase with 20,000 times greater affinity than its natural substrate. The bicyclic portion of lovastatin binds to the coenzyme A portion of the active site. ","Pharmacodynamics":"The primary cause of cardiovascular disease is atherosclerotic plaque formation. Sustained elevations of cholesterol in the blood increase the risk of cardiovascular disease. Lovastatin lowers hepatic cholesterol synthesis by competitively inhibiting HMG-CoA reductase, the enzyme that catalyzes the rate-limiting step in the cholesterol biosynthesis pathway via the mevalonic acid pathway. Decreased hepatic cholesterol levels causes increased uptake of low density lipoprotein (LDL) cholesterol and reduces cholesterol levels in the circulation. At therapeutic doses, lovastatin decreases serum LDL cholesterol by 29-32%, increases high density lipoprotein (HDL) cholesterol by 4.6-7.3%, and decrease triglyceride levels by 2-12%. HDL cholesterol is thought to confer protective effects against CV disease, whereas high LDL and triglyceride levels are associated with higher risk of disease. ","Absorption":"Studies suggest that \u003c5% of the oral dose reaches the general circulation as active inhibitors. Time to peak serum concentration is 2-4 hours. Lovastatin undergoes extensive first-pass metabolism so the availability of the drug in the system is low and variable. ","Interactions":[{"ID":"DB01418"},{"ID":"DB00701"},{"ID":"DB01125"},{"ID":"DB01072"},{"ID":"DB00207"},{"ID":"DB01393"},{"ID":"DB00559"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB01394"},{"ID":"DB00091"},{"ID":"DB01406"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB00266"},{"ID":"DB00343"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB01039"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB01241"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB08827"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB00627"},{"ID":"DB01369"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB08816"},{"ID":"DB00932"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00099","Drugs":["DB00169","DB00227","DB01592","DB02552","DB04540"]}]},{"ID":"DB00228","Name":"Enflurane","DrugType":"small molecule","HalfLife":"","Description":"An extremely stable inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Used for the induction and maintenance of general anaesthesia during surgery and cesarean section and also used for analgesia during vaginal delivery.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=5.4 ml/kg (oral, rat). Symptoms of acute overdose include nausea, vomiting, irritation to the eyes, skin and nose/throat, headache, dizziness, and drowsiness. Symptoms of chronic overdose include hypotension, cardiac arrhythmias, respiratory depression, and liver/kidney dysfunction.","MechanismOfAction":"Enflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Enflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase. Enflurane also binds to and angonizes the GABA receptor, the large conductance Ca\u003csup\u003e2+\u003c/sup\u003e activated potassium channel, the glycine receptor, and antagonizes the glutamate receptor receptor. These yield a decreased depolarization and therefore, tissue excitability which results in anesthesia.","Pharmacodynamics":"Enflurane is an extremely stable halogenated ether inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate. Enflurane induces muscle relaxation and reduces pains sensitivity by altering tissue excitability. Induction of and recovery from anesthesia with enflurane are rapid. Enflurane may provide a mild stimulus to salivation or tracheobronchial secretions. Pharyngeal and laryngeal reflexes are readily obtunded. In the cardiovascular system, enflurane is a mild negative inotrope, causing a marked decrease in systemic vascular resistance, thus leading to a decrease in mean arterial pressure. This results in a reflex tachycardia. Enflurane also decreases coronary vascular resistance and sensitizes the myocardium to circulating catecholamines. Enflurane is a strong respiratory depressant. It decreases tidal volume but may increase respiratory rate. It also causes bronchodilatationa and inhibits pulmonary macrophage activity and mucociliary activity. Enflurane principle action in the CNS is general anaesthesia with little analgesic effect. It causes increased cerebral blood flow in concentrations and may induce tonic/clonic muscle activity and epileptiform EEG traces. It also causes a marked decrease in skeletal muscle tone. Actions in the genitourinary system include a decreased renal blood flow and glomerular filtration rate and the tone of pregnant uterus is decreased.","Absorption":"Rapidly absorbed into the circulation via the lungs.","Interactions":[{"ID":"DB00598"},{"ID":"DB05271"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00229","Name":"Cefotiam","DrugType":"small molecule","HalfLife":"Approximately 1 hour.","Description":"One of the cephalosporins that has a broad spectrum of activity against both gram-positive and gram-negative microorganisms. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For treatment of severe infections caused by susceptible bacteria.","Toxicity":"Adverse effects following overdosage include nausea, vomiting, epigastric distress, diarrhea, and convulsions.","MechanismOfAction":"The bactericidal activity of cefotiam results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs).","Pharmacodynamics":"Cefotiam is a third generation beta-lactam cephalosporin antibiotic. It has broad spectrum activity against Gram positive and Gram negative bacteria. It does not have activity against \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e. Cefotiam works by inhibiting bacterial cell wall biosynthesis.","Absorption":"Rapidly absorbed following intramuscular injection. Bioavailability is 60% following intramuscular injection.","Interactions":null,"Salts":[{"ID":"DBSALT000796","Name":"Cefotiam hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00230","Name":"Pregabalin","DrugType":"small molecule","HalfLife":"6.3 hours","Description":"Pregabalin is an anticonvulsant drug used for neuropathic pain, as an adjunct therapy for partial seizures, and in generalized anxiety disorder. It was designed as a more potent successor to gabapentin. Pregabalin is marketed by Pfizer under the trade name Lyrica. It is considered to have a dependence liability if misused, and is classified as a Schedule V drug in the U.S. [Wikipedia]","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Pregabalin is used for the management of neuropathic pain associated with diabetic peripheral neuropathy or spinal cord injury, and postherpetic neuralgia. It is also used as adjunctive therapy for adult patients with partial onset seizures and management of fibromyalgia. ","Toxicity":"Most common adverse reactions (≥5% and twice placebo) are dizziness, somnolence, dry mouth, edema, blurred vision, weight gain and thinking abnormal (primarily difficulty with concentration/attention).","MechanismOfAction":"Pregabalin binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues. Although the mechanism of action of pregabalin is unknown, results with genetically modified mice and with compounds structurally related to pregabalin (such as gabapentin) suggest that binding to the alpha2-delta subunit may be involved in pregabalin's antinociceptive and antiseizure effects in animal models. In vitro, pregabalin reduces the calcium-dependent release of several neurotransmitters, possibly by modulation of calcium channel function. Studies also suggest that the descending noradrenergic and serotonergic pathways originating from the brainstem may be involved with the mechanism of pregabalin. Interestingly, although pregabalin is a structural derivative of inhibitory neurotransmitter gamma-aminobutyric acid (GABA), it does not bind directly to GABA or benzodiazepine receptors. The sodium channels, opiate receptors, and cyclooxygenase enzymes are not involved with the mechanism of pregabalin. It is also inactive at serotonin and dopamine receptors and does not inhibit dopamine, serotonin, or noradrenaline reuptake. ","Pharmacodynamics":"Pregabalin is a new anticonvulsant drug indicated as an add on therapy for partial onset seizures and for certain types of neuropathic pain. It was designed as a more potent successor to a related drug, gabapentin. Pregabalin binds to the alpha2-delta subunit of the voltage-gated calcium channel in the central nervous system. While pregabalin is a structural derivative of the inhibitory neurotransmitter gamma- aminobutyric acid (GABA), it does not bind directly to GABAA, GABAB, or benzodiazepine receptors, does not augment GABAA responses in cultured neurons, does not alter rat brain GABA concentration or have acute effects on GABA uptake or degradation. However, in cultured neurons prolonged application of pregabalin increases the density of GABA transporter protein and increases the rate of functional GABA transport. Pregabalin does not block sodium channels, is not active at opiate receptors, and does not alter cyclooxygenase enzyme activity. It is inactive at serotonin and dopamine receptors and does not inhibit dopamine, serotonin, or noradrenaline reuptake.","Absorption":"Pregabalin is well absorbed after oral administration. When an oral administration of pregabalin under fasting conditions is given, the pharmacokinetic parameters are as follows:\r\nTmax = 1.5 hours;\r\nOral bioavailability = \u003e90% (independent of dose); \r\nTime to steady state = 24-48 hours. \r\nIt is also a substrate for the L-type transport system. ","Interactions":[{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"illicit":true,"investigational":true},"Pathways":null},{"ID":"DB00231","Name":"Temazepam","DrugType":"small molecule","HalfLife":"10-20 hours","Description":"A benzodiazepine that acts as a gamma-aminobutyric acid modulator and anti-anxiety agent. [PubChem]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the short-term treatment of insomnia (generally 7-10 days).","Toxicity":"","MechanismOfAction":"Benzodiazepines bind nonspecifically to benzodiazepine receptors, which affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABA\u003csub\u003eA\u003c/sub\u003e) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Pharmacodynamics":"Temazepam is a benzodiazepine used as a hypnotic agent in the management of insomnia. Temazepam produces CNS depression at limbic, thalamic, and hypothalamic levels of the CNS. Temazepam increases the affinity of the neurotransmitter gamma-aminobutyric acid (GABA) for GABA receptors by binding to benzodiazepine receptors. Results are sedation, hypnosis, skeletal muscle relaxation, anticonvulsant activity, and anxiolytic action.","Absorption":"Well absorbed, minimal first-pass metabolism.","Interactions":[{"ID":"DB01223"},{"ID":"DB00363"},{"ID":"DB00651"},{"ID":"DB01322"},{"ID":"DB00277"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00232","Name":"Methyclothiazide","DrugType":"small molecule","HalfLife":"","Description":"A thiazide diuretic with properties similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p825)","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"For use in the management of hypertension either as the sole therapeutic agent or to enhance the effect of other antihypertensive drugs in the more severe forms of hypertension. Also used as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy.","Toxicity":"Acute oral toxicity (LD\u003csub\u003e50\u003c/sub\u003e): \u003e4000 mg/kg [Rat]. Symptoms of overdosage include electrolyte imbalance and signs of potassium deficiency such as confusion, dizziness, muscular weakness, and gastrointestinal disturbances.","MechanismOfAction":"Methyclothiazide appears to block the active reabsorption of chloride and possibly sodium in the ascending loop of Henle, altering electrolyte transfer in the proximal tubule. This results in excretion of sodium, chloride, and water and, hence, diuresis. As a diuretic, methyclothiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like methyclothiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of methyclothiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle.","Pharmacodynamics":"Methyclothiazide, a diuretic-antihypertensive agent, is a member of the benzothiadiazine (thiazide) class of drugs. Methyclothiazide has a per mg natriuretic activity approximately 100 times that of the prototype thiazide, chlorothiazide. At maximal therapeutic dosages, all thiazides are approximately equal in their diuretic/natriuretic effects. Like other benzothiadiazines, methyclothiazide also has antihypertensive properties, and may be used for this purpose either alone or to enhance the antihypertensive action of other drugs.","Absorption":"Rapidly absorbed following oral administration.","Interactions":[{"ID":"DB00390"},{"ID":"DB01356"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00081","Drugs":["DB00151","DB00232","DB01345","DB03904"]}]},{"ID":"DB00233","Name":"Aminosalicylic Acid","DrugType":"small molecule","HalfLife":"","Description":"An antitubercular agent often administered in association with isoniazid. The sodium salt of the drug is better tolerated than the free acid. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the treatment of tuberculosis","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=4 gm/kg (orally in mice); LD\u003csub\u003e50\u003c/sub\u003e=3650 mg/kg (orally in rabbits)","MechanismOfAction":"There are two mechanisms responsible for aminosalicylic acid's bacteriostatic action against \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e. Firstly, aminosalicylic acid inhibits folic acid synthesis (without potentiation with antifolic compounds). The binding of para-aminobenzoic acid to pteridine synthetase acts as the first step in folic acid synthesis. Aminosalicylic acid binds pteridine synthetase with greater affinity than para-aminobenzoic acid, effectively inhibiting the synthesis of folic acid. As bacteria are unable to use external sources of folic acid, cell growth and multiplication slows. Secondly, aminosalicylic acid may inhibit the synthesis of the cell wall component, mycobactin, thus reducing iron uptake by \u003ci\u003eM. tuberculosis\u003c/i\u003e.","Pharmacodynamics":"Aminosalicylic acid is an anti-mycobacterial agent used with other anti-tuberculosis drugs (most often isoniazid) for the treatment of all forms of active tuberculosis due to susceptible strains of tubercle bacilli. The two major considerations in the clinical pharmacology of aminosalicylic acid are the prompt production of a toxic inactive metabolite under acid conditions and the short serum half life of one hour for the free drug. Aminosalicylic acid is bacteriostatic against \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e (prevents the multiplying of bacteria without destroying them). It also inhibits the onset of bacterial resistance to streptomycin and isoniazid.","Absorption":"","Interactions":[{"ID":"DB00993"},{"ID":"DB01033"},{"ID":"DB00605"},{"ID":"DB01600"},{"ID":"DB00352"},{"ID":"DB00500"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000354","Name":"Aminosalicylate Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00234","Name":"Reboxetine","DrugType":"small molecule","HalfLife":"12.5 hours","Description":"Reboxetine is an antidepressant drug used in the treatment of clinical depression, panic disorder and ADD/ADHD. Its mesylate (i.e. methanesulfonate) salt is sold under tradenames including Edronax, Norebox, Prolift, Solvex, Davedax or Vestra. Reboxetine has two chiral centers, but it only exists as two enantiomers, (R,R)-(-)- and (S,S)-(+)-reboxetine.","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"For the treatment of clinical depression.","Toxicity":"Reports of seizures (rare) have been reported","MechanismOfAction":"Reboxetine is a selective inhibitor of noradrenaline reuptake. It inhibits noradrenaline reuptake \u003ci\u003ein vitro\u003c/i\u003e to a similar extent to the tricyclic antidepressant desmethylimipramine. Reboxetine does not affect dopamine or serotonin reuptake and it has low \u003ci\u003ein vivo\u003c/i\u003e and \u003ci\u003ein vitro\u003c/i\u003e affinity for adrenergic, cholinergic, histaminergic, dopaminergic and serotonergic receptors.","Pharmacodynamics":"Reboxetine is a selective noradrenaline reuptake inhibitor (NaRI), the first drug of new antidepressant class. Reboxetine is an a-ariloxybenzyl derivative of morpholine. Reboxetine is primarily used to treat depression but has also been found useful in the treatment of narcolepsy and panic disorders.","Absorption":"Reboxetine is rapidly and extensively absorbed following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000890","Name":"Reboxetine methanesulfonate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00235","Name":"Milrinone","DrugType":"small molecule","HalfLife":"2.3 hours","Description":"A positive inotropic cardiotonic agent with vasodilator properties. It inhibits cAMP phosphodiesterase activity in myocardium and vascular smooth muscle. Milrinone is a derivative of amrinone and has 20-30 times the ionotropic potency of amrinone. [PubChem]","Classification":{"Description":"This compound belongs to the bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.","DirectParent":"Bipyridines and Oligopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Bipyridines and Oligopyridines"},"Indication":"Indicated for the treatment of congestive heart failure.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 0.3 mg/L in rats","MechanismOfAction":"Milrinone inhibits erythrocyte phosphodiesterase, resulting in an increase in erythrocyte cAMP activity. Subsequently, the erythrocyte membrane becomes more resistant to deformity. Along with erythrocyte activity, Milrinone also decreases blood viscosity by reducing plasma fibrinogen concentrations and increasing fibrinolytic activity.","Pharmacodynamics":"Milrinone, a synthetic dimethylxanthine derivative structurally related to theophylline and caffeine, is used in the treatment of peripheral vascular diseases and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy.","Absorption":"Milrinone is rapidly and almost completely absorbed after oral administration. Bioavailability is 92% (in healthy volunteers).","Interactions":null,"Salts":[{"ID":"DBSALT000891","Name":"Milrinone Lactate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00236","Name":"Pipobroman","DrugType":"small molecule","HalfLife":"","Description":"An antineoplastic agent that acts by alkylation. [PubChem]","Classification":{"Description":"This compound belongs to the diazinanes. These are organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen atoms.","DirectParent":"Diazinanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazinanes","SubClass":""},"Indication":"For the treatment of polycythaemia vera and refractory chronic myeloid leukaemia.","Toxicity":"Symptoms of overdose include hematologic toxicity, especially with chronic overdosage.","MechanismOfAction":"The mechanism of action is uncertain but pipobroman is thought to alkylate DNA leading to disruption of DNA synthesis and eventual cell death.","Pharmacodynamics":"Pipobroman is an antineoplastic agent. Specifically it is a piperazine derivative with a chemical structure close to that of many DNA alkylating agents. Pipobroman has well documented clinical activity against polycythemia vera and essential thrombocythemia.","Absorption":"Well absorbed from the GI tract.","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00187"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00489"},{"ID":"DB00373"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00237","Name":"Butabarbital","DrugType":"small molecule","HalfLife":"","Description":"Butabarbital (trade name Butisol) is a prescription barbiturate sleep aid. Butabarbital has a particularly fast onset of effects and short duration of action compared to other barbiturates, which makes it useful for certain applications such as treating severe insomnia and relieving anxiety before surgical procedures; however it is also relatively dangerous particularly when combined with alcohol, and so is now rarely used, although it is still prescribed in some Eastern European and South American countries. Its short duration of action gives butabarbital a high abuse potential, comparable to secobarbital. [Wikipedia]","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For short-term treatment of insomnia and anxiety disorders","Toxicity":"Signs of overdose include confusion (severe), decrease in or loss of reflexes, drowsiness (severe), fever, irritability (continuing), low body temperature, poor judgment, shortness of breath or slow or troubled breathing, slow heartbeat, slurred speech, staggering, trouble in sleeping, unusual movements of the eyes, weakness (severe).","MechanismOfAction":"Butabarbital binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission.","Pharmacodynamics":"Butabarbital, a barbiturate, is used for the treatment of short term insomnia. It belongs to a group of medicines called central nervous system (CNS) depressants that induce drowsiness and relieve tension or nervousness. Little analgesia is conferred by barbiturates; their use in the presence of pain may result in excitation.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB01223"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB06769"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB01242"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01151"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00280"},{"ID":"DB01142"},{"ID":"DB00254"},{"ID":"DB00450"},{"ID":"DB06210"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00557"},{"ID":"DB00458"},{"ID":"DB00555"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB00540"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00344"},{"ID":"DB00908"},{"ID":"DB00444"},{"ID":"DB00277"},{"ID":"DB00620"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000312","Name":"Butabarbital Sodium"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00238","Name":"Nevirapine","DrugType":"small molecule","HalfLife":"45 hours","Description":"A potent, non-nucleoside reverse transcriptase inhibitor (NNRTI) used in combination with nucleoside analogues for treatment of Human Immunodeficiency Virus Type 1 (HIV-1) infection and AIDS. [PubChem] Structurally, nevirapine belongs to the dipyridodiazepinone chemical class. ","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"For use in combination with other antiretroviral drugs in the ongoing treatment of HIV-1 infection.","Toxicity":"Symptoms of overdose include edema, erythema nodosum, fatigue, fever, headache, insomnia, nausea, pulmonaryinfiltrates, rash, vertigo, vomiting, and weight decrease. The most common adverse reaction is rash. ","MechanismOfAction":"Nevirapine binds directly to reverse transcriptase (RT) and blocks the RNA-dependent and DNA-dependent DNA polymerase activities by causing a disruption of the enzyme's catalytic site. The activity of nevirapine does not compete with template or nucleoside triphosphates.","Pharmacodynamics":"Nevirapine is a non-nucleoside reverse transcriptase inhibitor (nNRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). HIV-2 RT and eukaryotic DNA polymerases (such as human DNA polymerases alpha, beta, or sigma) are not inhibited by nevirapine. Nevirapine is, in general, only prescribed after the immune system has declined and infections have become evident. It is always taken with at least one other HIV medication such as Retrovir or Videx. The virus can develop resistance to nevirapine if the drug is taken alone, although even if used properly, nevirapine is effective for only a limited time.","Absorption":"Nevirapine is readily absorbed (greater than 90%) after oral administration in healthy subjects and adults with HIV-1 infection. The absolute bioavailability in healthy adults following a single dose administration is 93 ± 9% (mean ± SD) for a 50 mg tablet and 91 ± 8% for an oral solution. Peak plasma nevirapine concentrations of 2 ± 0.4 mcg/mL (7.5 micromolar) were attained by 4 hours following a single 200 mg dose. Nevirapine tablets and suspension have been shown to be comparably bioavailable and interchangeable at doses up to 200 mg. When the oral tablet is given with a high-fat meal, the extent of absorption is compared to that of the fasted-state. ","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB00266"},{"ID":"DB08866"},{"ID":"DB06414"},{"ID":"DB01026"},{"ID":"DB00227"},{"ID":"DB00333"},{"ID":"DB00220"},{"ID":"DB01369"},{"ID":"DB01656"},{"ID":"DB01232"},{"ID":"DB00641"},{"ID":"DB01323"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB05294"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00743","Drugs":["DB00238"]},{"ID":"SMP00642","Drugs":["DB00238","DB03435"]}]},{"ID":"DB00239","Name":"Oxiconazole","DrugType":"small molecule","HalfLife":"","Description":"Oxiconazole nitrate (U.S.: Oxistat, Canada: Oxizole) is an antifungal medication typically administered in a cream or lotion to treat skin infections such as athlete's foot, jock itch and ringworm. [Wikipedia]","Classification":{"Description":"This compound belongs to the dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.","DirectParent":"Dichlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For treatment of dermal fungal infection.","Toxicity":"Side effects incliude pruritus, burning, irritation, erythema, stinging and allergic contact dermatitis and folliculitis, fissuring, maceration rash and nodules.","MechanismOfAction":"Oxiconazole inhibits ergosterol biosynthesis, which is required for cytoplasmic membrane integrity of fungi. It acts to destabilize the fungal cyctochrome P450 51 enzyme (also known as Lanosterol 14-alpha demethylase). This is vital in the cell membrance structure of the fungus. Its inhibition leads to cell lysis. Oxiconazole has also been shown in inhibit DNA synthesis and suppress intracellular concentrations of ATP. Like other imidazole antifungals, Oxiconazole can increase membrane permeability to zinc, augmenting its cytotoxicity.","Pharmacodynamics":"Oxiconazole is a broad-spectrum imidazole derivative whose antifungal activity is derived primarily from the inhibition of ergosterol biosynthesis, which is critical for cellular membrane integrity. It has fungicidal or fungistatic activity in vitro against a number of pathogenic fungi including the following dermatophytes, and yeasts: \u003ci\u003eT. rubrum\u003c/i\u003e, \u003ci\u003eT. mentagrophytes\u003c/i\u003e, \u003ci\u003eT. tonsurans\u003c/i\u003e, \u003ci\u003eT. violaceum\u003c/i\u003e, \u003ci\u003eE. floccosum\u003c/i\u003e, \u003ci\u003eM. canis\u003c/i\u003e, \u003ci\u003eM. audouini\u003c/i\u003e, \u003ci\u003eM. gypseum\u003c/i\u003e, \u003ci\u003eC. albicans\u003c/i\u003e, and \u003ci\u003eM. furfur\u003c/i\u003e.","Absorption":"Systemic absorption of oxiconazole is low.","Interactions":null,"Salts":[{"ID":"DBSALT000892","Name":"Oxiconazole nitrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00240","Name":"Alclometasone","DrugType":"small molecule","HalfLife":"","Description":"Alclometasone is synthetic glucocorticoid steroid for topical use in dermatology as anti-inflammatory, antipruritic, antiallergic, antiproliferative and vasoconstrictive agent. [Wikipedia]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses.","Toxicity":"Symptoms of overdose include suppression of adrenal glands, temporary decrease in white blood cell counts, symptoms of hypersensitivity (such as skin rash, hives, itching, and difficulty breathing), and increased susceptibility to infection.","MechanismOfAction":"The mechanism of the anti-inflammatory activity of the topical steroids, in general, is unclear. However, corticosteroids are thought to act by the induction of phospholipase A\u003csub\u003e2\u003c/sub\u003e inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor, arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A\u003csub\u003e2\u003c/sub\u003e. Alclometasone initially binds the corticosteroid receptor. This complex migrates to the nucleus where it binds to different glucocorticoid response elements on the DNA. This in turn enhances and represses various genes, especially those involved in inflammatory pathways.","Pharmacodynamics":"Alclometasone is a synthetic corticosteroid for topical dermatologic use. The corticosteroids constitute a class of primarily synthetic steroids used topically as anti-inflammatory and antipruritic agents. Alclometasone is a selective glucocorticoid receptor agonist.","Absorption":"Topical corticosteroids can be absorbed from normal intact skin. Studies have shown that approximately 3% of steroid is absorbed during 8 hours of contact with intact skin of normal volunteers.","Interactions":null,"Salts":[{"ID":"DBSALT000893","Name":"Alclometasone dipropionate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00241","Name":"Butalbital","DrugType":"small molecule","HalfLife":"35 hours","Description":"Butalbital, 5-allyl-5-isobutylbarbituric acid, is a barbiturate with an intermediate duration of action. It has the same chemical formula as talbutal but a different structure. Butalbital is often combined with other medications, such as acetaminophen or aspirin, and is commonly prescribed for the treatment of pain and headache. [Wikipedia]","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Used in combination with acetaminophen or aspirin and caffeine for its sedative and relaxant effects in the treatment of tension headaches, migraines, and pain.","Toxicity":"Symptoms of acute barbiturate poisoning include drowsiness, confusion, coma, respiratory depression, hypotension, and shock.","MechanismOfAction":"Butalbital binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Butalbital is a short to intermediate-acting barbiturate. Barbiturates act as nonselective depressants of the central nervous system (CNS), capable of producing all levels of CNS mood alteration from excitation to mild sedation, hypnosis, and deep coma. In sufficiently high therapeutic doses, barbiturates induce anesthesia.","Absorption":"Well absorbed from the gastrointestinal tract and is expected to distribute to most tissues in the body.","Interactions":[{"ID":"DB01418"},{"ID":"DB01223"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00443"},{"ID":"DB00446"},{"ID":"DB00882"},{"ID":"DB01242"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01151"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB01142"},{"ID":"DB00254"},{"ID":"DB00450"},{"ID":"DB06210"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00557"},{"ID":"DB00458"},{"ID":"DB00555"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB00540"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00344"},{"ID":"DB00908"},{"ID":"DB00444"},{"ID":"DB00277"},{"ID":"DB00620"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00242","Name":"Cladribine","DrugType":"small molecule","HalfLife":"5.4 hours","Description":"An antineoplastic agent used in the treatment of lymphoproliferative diseases including hairy-cell leukemia. [PubChem]","Classification":{"Description":"This compound belongs to the purine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a purine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Purine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of active hairy cell leukemia (leukemic reticuloendotheliosis) as defined by clinically significant anemia, neutropenia, thrombocytopenia, or disease-related symptoms. Also used as an alternative agent for the treatment of chronic lymphocytic leukemia (CLL), low-grade non-Hodgkin's lymphoma, and cutaneous T-cell lymphoma.","Toxicity":"Symptoms of overdose include irreversible neurologic toxicity (paraparesis/quadriparesis), acute nephrotoxicity, and severe bone marrow suppression resulting in neutropenia, anemia and thrombocytopenia.","MechanismOfAction":"Cladribine is structurally related to fludarabine and pentostatin but has a different mechanism of action. Although the exact mechanism of action has not been fully determined, evidence shows that cladribine is phosphorylated by deoxycytidine kinase to the nucleotidecladribine triphosphate (CdATP; 2-chloro-2′-deoxyadenosine 5′-triphosphate), which accumulates and is incorporated into DNA in cells such as lymphocytes that contain high levels of deoxycytidine kinase and low levels of deoxynucleotidase, resulting in DNA strand breakage and inhibition of DNA synthesis and repair. High levels of CdATP also appear to inhibit ribonucleotide reductase, which leads to an imbalance in triphosphorylated deoxynucleotide (dNTP) pools and subsequent DNA strand breaks, inhibition of DNA synthesis and repair, nicotinamide adenine dinucleotide (NAD) and ATP depletion, and cell death. Unlike other antimetabolite drugs, cladribine has cytotoxic effects on resting as well as proliferating lymphocytes. However, it does cause cells to accumulate at the G1/S phase junction, suggesting that cytotoxicity is associated with events critical to cell entry into S phase. It also binds purine nucleoside phosphorylase (PNP), however no relationship between this binding and a mechanism of action has been established.","Pharmacodynamics":"Cladribine is a synthetic purine nucleoside that acts as an antineoplastic agent with immunosuppressive effects. Cladribine differs structurally from deoxyadenosine only by the presence of a chlorine atom at position 2 of the purine ring, which results in resistance to enzymatic degradation by adenosine deaminase. Due to this resistance, cladribine exhibits a more prolonged cytotoxic effect than deoxyadenosine against resting and proliferating lymphocytes. Cladribine is one of a group of chemotherapy drugs known as the anti-metabolites.\u0026nbsp;Anti-metabolites stop cells from making and repairing DNA, which are processes that are necessary for cancer cells to grow and multiply.","Absorption":"Oral bioavailability is 34 to 48%.","Interactions":[{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB00864"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00243","Name":"Ranolazine","DrugType":"small molecule","HalfLife":"7 hours","Description":"Ranolazine is an antianginal medication. On January 31, 2006, ranolazine was approved for use in the United States by the FDA for the treatment of chronic angina. [Wikipedia]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of chronic angina. It should be used in combination with amlodipine, beta-blockers or nitrates.","Toxicity":"In the event of overdose, the expected symptoms would be dizziness, nausea/vomiting, diplopia, paresthesia, and confusion. Syncope with prolonged loss of consciousness may develop.","MechanismOfAction":"The mechanism of action of ranolazine is unknown. It does not increase the rate-pressure product, a measure of myocardial work, at maximal exercise. In vitro studies suggest that ranolazine is a P-gp inhibitor. Ranolazine is believed to have its effects via altering the trans-cellular late sodium current. It is by altering the intracellular sodium level that ranolazine affects the sodium-dependent calcium channels during myocardial ischemia. Thus, ranolazine indirectly prevents the calcium overload that causes cardiac ischemia.","Pharmacodynamics":"Ranolazine has antianginal and anti-ischemic effects that do not depend upon reductions in heart rate or blood pressure. It is the first new anti-anginal developed in over 20 years.","Absorption":"Absorption is highly variable. After oral administration of ranolazine as a solution, 73% of the dose is systemically available as ranolazine or metabolites. The bioavailability of oral ranolazine relative to that from a solution is 76%.","Interactions":[{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB01128"},{"ID":"DB01158"},{"ID":"DB01211"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB00390"},{"ID":"DB00343"},{"ID":"DB00954"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00199"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB00308"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB00680"},{"ID":"DB00220"},{"ID":"DB01035"},{"ID":"DB00908"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00641"},{"ID":"DB00489"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00726"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000388","Name":"Ranolazine Dihydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00244","Name":"Mesalazine","DrugType":"small molecule","HalfLife":"The mean elimination half-life was 5 hours for 5-ASA and six hours for N-acetyl-5-ASA following the initial dose. At steady state, the mean elimination half-life was seven hours for both 5-ASA and N-acetyl-5-ASA.","Description":"An anti-inflammatory agent, structurally related to the salicylates, which is active in inflammatory bowel disease. It is considered to be the active moiety of sulphasalazine. (From Martindale, The Extra Pharmacopoeia, 30th ed)","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the treatment of active ulcerative proctitis.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 3370 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 2800 mg/kg; Skin, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = \u0026gt;5 gm/kg. There have been no documented reports of serious toxicity in man resulting from massive overdosing with mesalamine. Under ordinary circumstances, mesalazine absorption from the colon is limited.","MechanismOfAction":"Although the mechanism of action of mesalazine is not fully understood, it appears to be topical rather than systemic. Mucosal production of arachidonic acid metabolites, both through the cyclooxygenase pathways, i.e., prostanoids, and through the lipoxygenase pathways, i.e., leukotrienes and hydroxyeicosatetraenoic acids, is increased in patients with chronic inflammatory bowel disease, and it is possible that mesalazine diminishes inflammation by blocking cyclooxygenase and inhibiting prostaglandin production in the colon.","Pharmacodynamics":"Mesalazine (INN, BAN), also known as Mesalamine (USAN) or 5-aminosalicylic acid (5-ASA), is an anti-inflammatory drug used to treat inflammation of the digestive tract (Crohn's disease) and mild to moderate ulcerative colitis. Mesalazine is a bowel-specific aminosalicylate drug that is metabolized in the gut and has its predominant actions there, thereby having fewer systemic side effects. As a derivative of salicylic acid, 5-ASA is also an antioxidant that traps free radicals, which are potentially damaging by-products of metabolism.","Absorption":"20 to 30% absorbed following oral administration. 10 to 35% absorbed from the colon (rectal suppository) - extent of absorption is determined by the length of time the drug is retained in the colon.","Interactions":[{"ID":"DB00993"},{"ID":"DB01033"},{"ID":"DB00352"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00245","Name":"Benzatropine","DrugType":"small molecule","HalfLife":"","Description":"Benzotropine is a centrally-acting, antimuscarinic agent used as an adjunct in the treatment of Parkinson’s disease. It may also be used to treat extrapyramidal reactions, such as dystonia and Parkinsonism, caused by antipsychotics (e.g. phenothiazines). Symptoms of Parkinson’s disease and extrapyramidal reactions arise from decreases in dopaminergic activity which creates an imbalance between dopaminergic and cholinergic activity. Anticholinergic therapy is thought to aid in restoring this balance leading to relief of symptoms. In addition to its anticholinergic effects, benztropine also inhibits the reuptake of dopamine at nerve terminals via the dopamine transporter. Benzotropine also produces antagonistic effects at the histamine H1 receptor. ","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For use as an adjunct in the therapy of all forms of parkinsonism and also for use in the control of extrapyramidal disorders due to neuroleptic drugs.","Toxicity":"Signs of overdose include confusion, nervousness, listlessness, hallucinations, dizziness; muscle weakness, ataxia, dry mouth, mydriasis, blurred vision, palpitations, tachycardia, elevated blood pressure, nausea, vomiting, dysuria, numbness of fingers, headache, delirium, coma, shock, convulsions, respiratory arrest, anhidrosis, hyperthermia, glaucoma, and constipation.","MechanismOfAction":"Benztropine is a selective M1 muscarinic acetylcholine receptor antagonist. It is able to discriminate between the M1 (cortical or neuronal) and the peripheral muscarinic subtypes (cardiac and glandular). Benztropine partially blocks cholinergic activity in the CNS, which is responsible for the symptoms of Parkinson's disease. It is also thought to increase the availability of dopamine, a brain chemical that is critical in the initiation and smooth control of voluntary muscle movement.","Pharmacodynamics":"Benztropine is an anticholinergic used in the symptomatic treatment of all etiologic groups of parkinsonism and drug-induced extrapyramidal reactions (except tardive dyskinesia). Benztropine possesses both anticholinergic and antihistaminic effects, although only the former has been established as therapeutically significant in the management of parkinsonism. Benztropine's anticholinergic activity is about equal to that of atropine. Benztropine also inhibits dopamine reuptake via the dopamine transporter at nerve terminals. ","Absorption":"Onset of action is 1-2 hours following oral administration. The onset of action is within minutes when administered by IM or IV injection. ","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000894","Name":"Benzatropine mesylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00246","Name":"Ziprasidone","DrugType":"small molecule","HalfLife":"7 hours","Description":"Ziprasidone (marketed as Geodon, Zeldox) was the fifth atypical antipsychotic to gain FDA approval (February 2001). Ziprasidone is Food and Drug Administration (FDA) approved for the treatment of schizophrenia, and the intramuscular injection form of ziprasidone is approved for acute agitation in schizophrenic patients. Ziprasidone has also received approval for acute treatment of mania associated with bipolar disorder. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"For the treatment of schizophrenia and related psychotic disorders.","Toxicity":"","MechanismOfAction":"Ziprasidone's antipsychotic activity is likely due to a combination of its antagonistic function at D2 receptors in the mesolimbic pathways and at 5HT2A receptors in the frontal cortex. Alleviation of positive symptoms is due to antagonism at D2 receptors while relief of negative symptoms are due to 5HT2A antagonism.","Pharmacodynamics":"Ziprasidone is a psychotropic agent belonging to the chemical class of benzisoxazole derivatives and is indicated for the treatment of schizophrenia. Ziprasidone is a selective monoaminergic antagonist with high affinity for the serotonin Type 2 (5HT2), dopamine Type 2 (D2), 1 and 2 adrenergic, and H1 histaminergic receptors. Ziprasidone acts as an antagonist at other receptors, but with lower potency. Antagonism at receptors other than dopamine and 5HT2 with similar receptor affinities may explain some of the other therapeutic and side effects of Ziprasidone. Ziprasidone's antagonism of muscarinic M1-5 receptors may explain its anticholinergic effects. Ziprasidone's antagonism of histamine H1 receptors may explain the somnolence observed with this drug. Ziprasidone's antagonism of adrenergic a1 receptors may explain the orthostatic hypotension observed with this drug. Ziprasidone functions as an antagonist at the Dopamine D2 , 5HT-2A , and 5HT-1D receptors, and as an agonist at the 5HT-1A receptor. Ziprasidone also inhibits synaptic reuptake of serotonin and norepinephrine.","Absorption":"~60%","Interactions":[{"ID":"DB00106"},{"ID":"DB00915"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00714"},{"ID":"DB01169"},{"ID":"DB06697"},{"ID":"DB06216"},{"ID":"DB00207"},{"ID":"DB01200"},{"ID":"DB00564"},{"ID":"DB00477"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB01254"},{"ID":"DB01151"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00757"},{"ID":"DB01184"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB04855"},{"ID":"DB00450"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00529"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB00308"},{"ID":"DB04946"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00270"},{"ID":"DB01026"},{"ID":"DB01235"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB00408"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00358"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB01403"},{"ID":"DB00218"},{"ID":"DB04868"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00104"},{"ID":"DB06589"},{"ID":"DB00738"},{"ID":"DB00556"},{"ID":"DB01186"},{"ID":"DB01100"},{"ID":"DB00413"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB00734"},{"ID":"DB06176"},{"ID":"DB00268"},{"ID":"DB05271"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB01268"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000810","Name":"Ziprasidone hydrochloride"},{"ID":"DBSALT000811","Name":"Ziprasidone mesylate trihydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00247","Name":"Methysergide","DrugType":"small molecule","HalfLife":"","Description":"An ergot derivative that is a congener of lysergic acid diethylamide. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome. [PubChem]","Classification":{"Description":"This compound belongs to the indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.","DirectParent":"Indoloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Indoloquinolines"},"Indication":"For the treatment of vascular headache","Toxicity":"Few cases of acute methysergide intoxication have been reported. The possible symptom complex is therefore not fully known. The following symptoms are based on these few case reports. Euphoria, hyperactivity, tachycardia, dilated pupils, and dizziness have been reported in a child with a dose of 20-24 mg of methysergide. In adults, peripheral vasospasm, with diminished or absent pulses, coldness, mottling and cyanosis, has been observed at a dose of 200 mg. Ischemic tissue damage has not been reported in acute overdosage with methysergide.","MechanismOfAction":"Methysergide is serotonin antagonists acts on central nervous system (CNS), which directly stimulates the smooth muscle leading to vasoconstriction. Some alpha-adrenergic blocking activity has been reported. Suggestions have been made by investigators as to the mechanism whereby Methysergide produces its clinical effects, but this has not been finally established, although it may be related to the antiserotonin effect.","Pharmacodynamics":"Methysergide has been shown, \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e, to inhibit or block the effects of serotonin, a substance which may be involved in the mechanism of vascular headaches. Serotonin has been variously described as a central neurohumoral agent or chemical mediator, as a \"headache substance\" acting directly or indirectly to lower pain threshold, as an intrinsic \"motor hormone\" of the gastrointestinal tract, and as a \"hormone\" involved in connective tissue reparative processes.","Absorption":"Rapid","Interactions":[{"ID":"DB01193"},{"ID":"DB00918"},{"ID":"DB01612"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB01211"},{"ID":"DB00705"},{"ID":"DB00625"},{"ID":"DB00216"},{"ID":"DB01613"},{"ID":"DB00199"},{"ID":"DB00187"},{"ID":"DB00998"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB01321"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB00952"},{"ID":"DB00727"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB06154"},{"ID":"DB00960"},{"ID":"DB01263"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00953"},{"ID":"DB01105"},{"ID":"DB00489"},{"ID":"DB00669"},{"ID":"DB00976"},{"ID":"DB00373"},{"ID":"DB01361"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000895","Name":"Methysergide maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00248","Name":"Cabergoline","DrugType":"small molecule","HalfLife":"The elimination half-life is estimated from urinary data of 12 healthy subjects to range between 63 to 69 hours.","Description":"Cabergoline, an ergot derivative, is a long-acting dopamine agonist and prolactin inhibitor. It is used to treat hyperprolactinemic disorders and Parkinsonian Syndrome. Cabergoline possesses potent agonist activity on dopamine D2 receptors. ","Classification":{"Description":"This compound belongs to the indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.","DirectParent":"Indoloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Indoloquinolines"},"Indication":"For the treatment of hyperprolactinemic disorders, either idiopathic or due to prolactinoma (prolactin-secreting adenomas). May also be used to manage symptoms of Parkinsonian Syndrome as monotherapy during initial symptomatic management or as an adjunct to levodopa therapy during advanced stages of disease. ","Toxicity":"Overdosage might be expected to produce nasal congestion, syncope, or hallucinations.","MechanismOfAction":"The dopamine D\u003csub\u003e2\u003c/sub\u003e receptor is a 7-transmembrane G-protein coupled receptor associated with G\u003csub\u003ei\u003c/sub\u003e proteins. In lactotrophs, stimulation of dopamine D\u003csub\u003e2\u003c/sub\u003e causes inhibition of adenylyl cyclase, which decreases intracellular cAMP concentrations and blocks IP3-dependent release of Ca\u003csup\u003e2+\u003c/sup\u003e from intracellular stores. Decreases in intracellular calcium levels may also be brought about via inhibition of calcium influx through voltage-gated calcium channels, rather than via inhibition of adenylyl cyclase. Additionally, receptor activation blocks phosphorylation of p42/p44 MAPK and decreases MAPK/ERK kinase phosphorylation. Inhibition of MAPK appears to be mediated by c-Raf and B-Raf-dependent inhibition of MAPK/ERK kinase. Dopamine-stimulated growth hormone release from the pituitary gland is mediated by a decrease in intracellular calcium influx through voltage-gated calcium channels rather than via adenylyl cyclase inhibition. Stimulation of dopamine D\u003csub\u003e2\u003c/sub\u003e receptors in the nigrostriatal pathway leads to improvements in coordinated muscle activity in those with movement disorders. Cabergoline is a long-acting dopamine receptor agonist with a high affinity for D2 receptors. Receptor-binding studies indicate that cabergoline has low affinity for dopamine D1, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e,- and \u0026alpha;\u003csub\u003e2\u003c/sub\u003e- adrenergic, and 5-HT\u003csub\u003e1\u003c/sub\u003e- and 5-HT\u003csub\u003e2\u003c/sub\u003e-serotonin receptors.","Pharmacodynamics":"Cabergoline stimulates centrally-located dopaminergic receptors resulting in a number of pharmacologic effects. Five dopamine receptor types from two dopaminergic subfamilies have been identified. The dopaminergic D1 receptor subfamily consists of D\u003csub\u003e1\u003c/sub\u003e and D\u003csub\u003e5\u003c/sub\u003e subreceptors, which are associated with dyskinesias. The dopaminergic D2 receptor subfamily consists of D\u003csub\u003e2\u003c/sub\u003e, D\u003csub\u003e3\u003c/sub\u003e and D\u003csub\u003e4\u003c/sub\u003e subreceptors, which are associated with improvement of symptoms of movement disorders. Thus, agonist activity specific for D2 subfamily receptors, primarily D\u003csub\u003e2\u003c/sub\u003e and D\u003csub\u003e3\u003c/sub\u003e receptor subtypes, are the primary targets of dopaminergic antiparkinsonian agents. It is thought that postsynaptic D2 stimulation is primarily responsible for the antiparkinsonian effect of dopamine agonists, while presynaptic D2 stimulation confers neuroprotective effects. This semisynthetic ergot derivative exhibits potent agonist activity on dopamine D\u003csub\u003e2\u003c/sub\u003e- and D\u003csub\u003e3\u003c/sub\u003e-receptors. It also exhibits: agonist activity (in order of decreasing binding affinities) on 5-hydroxytryptamine (5-HT)\u003csub\u003e2B\u003c/sub\u003e, 5-HT\u003csub\u003e2A\u003c/sub\u003e, 5-HT\u003csub\u003e1D\u003c/sub\u003e, dopamine D\u003csub\u003e4\u003c/sub\u003e, 5-HT\u003csub\u003e1A\u003c/sub\u003e, dopamine D\u003csub\u003e1\u003c/sub\u003e, 5-HT\u003csub\u003e1B\u003c/sub\u003e and 5-HT\u003csub\u003e2C\u003c/sub\u003e receptors and antagonist activity on \u0026alpha;\u003csub\u003e2B\u003c/sub\u003e, \u0026alpha;\u003csub\u003e2A\u003c/sub\u003e, and \u0026alpha;\u003csub\u003e2C\u003c/sub\u003e receptors. Parkinsonian Syndrome manifests when approximately 80% of dopaminergic activity in the nigrostriatal pathway of the brain is lost. As this striatum is involved in modulating the intensity of coordinated muscle activity (e.g. movement, balance, walking), loss of activity may result in dystonia (acute muscle contraction), Parkinsonism (including symptoms of bradykinesia, tremor, rigidity, and flattened affect), akathesia (inner restlessness), tardive dyskinesia (involuntary muscle movements usually associated with long-term loss of dopaminergic activity), and neuroleptic malignant syndrome, which manifests when complete blockage of nigrostriatal dopamine occurs. High dopaminergic activity in the mesolimbic pathway of the brain causes hallucinations and delusions; these side effects of dopamine agonists are manifestations seen in patients with schizophrenia who have overractivity in this area of the brain. The hallucinogenic side effects of dopamine agonists may also be due to 5-HT\u003csub\u003e2A\u003c/sub\u003e agonism. The tuberoinfundibular pathway of the brain originates in the hypothalamus and terminates in the pituitary gland. In this pathway, dopamine inhibits lactotrophs in anterior pituitary from secreting prolactin. Increased dopaminergic activity in the tuberoinfundibular pathway inhibits prolactin secretion. ","Absorption":"First-pass effect is seen, however the absolute bioavailability is unknown.","Interactions":[{"ID":"DB00199"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00249","Name":"Idoxuridine","DrugType":"small molecule","HalfLife":"","Description":"An analog of deoxyuridine that inhibits viral DNA synthesis. The drug is used as an antiviral agent. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For use in keratoconjunctivitis and keratitis caused by herpes simplex virus.","Toxicity":"Hypersensitivity or increased sensitivity of eyes to light. LD\u003csub\u003e50\u003c/sub\u003e=3080 mg/kg (orally in mice).","MechanismOfAction":"Idoxuridine acts as an antiviral agent by inhibiting viral replication by substituting itself for thymidine in viral DNA. This in turn inhibits thymidylate phosphorylase and viral DNA polymerases from properly functioning. The effect of Idoxuridine results in the inability of the virus to reproduce or to infect/destroy tissue.","Pharmacodynamics":"In chemical structure idoxuridine closely approximates the configuration of thymidine, one of the four building blocks of DNA (the genetic material of the Herpes virus). As a result, idoxuridine is able to replace thymidine in the enzymatic step of viral replication or \"growth\". The consequent production of faulty DNA results in a pseudostructure which cannot infect or destroy tissue. In short, by pre-empting a vital building block in the genetic material of the Herpes simplex virus, Herplex-D topical solution destroys the infective and destructive capacity of the viral material. The virus infected cell may only be attacked during the period of active synthesis of DNA. This occurs early in the development of the Herpes simplex lesion, but at different times in different cells. Therefore, ideally, the affected area should remain saturated with the antiviral agent.","Absorption":"Systemic absorption is unlikely following ocular administration even when nasolacrimal secretions are swallowed, since vidarabine is rapidly deaminated in the gastrointestinal tract.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00250","Name":"Dapsone","DrugType":"small molecule","HalfLife":"28 hours (range 10-50 hours)","Description":"A sulfone active against a wide range of bacteria but mainly employed for its actions against mycobacterium leprae. Its mechanism of action is probably similar to that of the sulfonamides which involves inhibition of folic acid synthesis in susceptible organisms. It is also used with pyrimethamine in the treatment of malaria. (From Martindale, The Extra Pharmacopoeia, 30th ed, p157-8)","Classification":{"Description":"This compound belongs to the sulfonylanilines. These are compounds containing an aniline moiety which bears a sulfonyl group at ring position 4.","DirectParent":"Sulfonylanilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"For the treatment and management of leprosy and dermatitis herpetiformis.","Toxicity":"Overdosage might be expected to produce nasal congestion, syncope, or hallucinations. Measures to support blood pressure should be taken if necessary.","MechanismOfAction":"Dapsone acts against bacteria and protozoa in the same way as sulphonamides, that is by inhibiting the synthesis of dihydrofolic acid through competition with para-amino-benzoate for the active site of dihydropteroate synthetase. The anti-inflammatory action of the drug is unrelated to its antibacterial action and is still not fully understood.","Pharmacodynamics":"Dapsone is a sulfone with anti-inflammatory immunosuppressive properties as well as antibacterial and antibiotic properties. Dapsone is the principal drug in a multidrug regimen recommended by the World Health Organization for the treatment of leprosy. As an anti-infective agent, it is also used for treating malaria and, recently, for Pneumocystic carinii pneumonia in AIDS patients. Dapsone is absorbed rapidly and nearly completely from the gastrointestinal tract. Dapsone is distributed throughout total body water and is present in all tissues. However, it tends to be retained in skin and muscle and especially in the liver and kidney: traces of the drug are present in these organs up to 3 weeks after therapy cessation.","Absorption":"Bioavailability is 70 to 80% following oral administration.","Interactions":[{"ID":"DB01370"},{"ID":"DB01373"},{"ID":"DB06708"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00976"},{"ID":"DB01124"},{"ID":"DB00440"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00251","Name":"Terconazole","DrugType":"small molecule","HalfLife":"6.9 hours (range 4.0-11.3)","Description":"Terconazole is an anti-fungal medication, primarily used to treat vaginal fungal infections. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"For the treatment of candidiasis (a yeast-like fungal infection) of the vulva and vagina.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e values were found to be 1741 and 849 mg/kg for the male and female in rat.","MechanismOfAction":"Terconazole may exert its antifungal activity by disrupting normal fungal cell membrane permeability. Terconazole and other triazole antifungal agents inhibit cytochrome P450 14-alpha-demethylase in susceptible fungi, which leads to the accumulation of lanosterol and other methylated sterols and a decrease in ergosterol concentration. Depletion of ergosterol in the membrane disrupts the structure and function of the fungal cell leading to a decrease or inhibition of fungal growth.","Pharmacodynamics":"Terconazole is a triazole antifungal agent available for intravaginal use. It is structurally related to imidazole-derivative antifungal agents, although terconazole and other triazoles have 3 nitrogens in the azole ring. By inhibiting the 14-alpha-demethylase (lanosterol 14-alpha-demethylase), Terconazole inhibits ergosterol synthesis. Depletion of ergosterol in fungal membrane disrupts the structure and many functions of fungal membrane leading to inhibition of fungal growth.","Absorption":"Following intravaginal administration of terconazole in humans, absorption ranged from 5-8% in three hysterectomized subjects and 12-16% in two non-hysterectomized subjects with tubal ligations","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00252","Name":"Phenytoin","DrugType":"small molecule","HalfLife":"22 hours (range of 7 to 42 hours)","Description":"An anticonvulsant that is used in a wide variety of seizures. It is also an anti-arrhythmic and a muscle relaxant. The mechanism of therapeutic action is not clear, although several cellular actions have been described including effects on ion channels, active transport, and general membrane stabilization. The mechanism of its muscle relaxant effect appears to involve a reduction in the sensitivity of muscle spindles to stretch. Phenytoin has been proposed for several other therapeutic uses, but its use has been limited by its many adverse effects and interactions with other drugs. [PubChem]","Classification":{"Description":"This compound belongs to the phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.","DirectParent":"Phenylhydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"For the control of generalized tonic-clonic (grand mal) and complex partial (psychomotor, temporal lobe) seizures and prevention and treatment of seizures occurring during or following neurosurgery.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 150 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 1635 mg/kg. Symptoms of overdose include coma, difficulty in pronouncing words correctly, involuntary eye movement, lack of muscle coordination, low blood pressure, nausea, sluggishness, slurred speech, tremors, and vomiting.","MechanismOfAction":"Phenytoin acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. By promoting sodium efflux from neurons, phenytoin tends to stabilize the threshold against hyperexcitability caused by excessive stimulation or environmental changes capable of reducing membrane sodium gradient. This includes the reduction of post-tetanic potentiation at synapses. Loss of post-tetanic potentiation prevents cortical seizure foci from detonating adjacent cortical areas.","Pharmacodynamics":"Phenytoin is an antiepileptic drug which can be useful in the treatment of epilepsy. The primary site of action appears to be the motor cortex where spread of seizure activity is inhibited. Phenytoin reduces the maximal activity of brain stem centers responsible for the tonic phase of tonic-clonic (grand mal) seizures. Phenytoin acts to dampen the unwanted, runaway brain activity seen in seizure by reducing electrical conductance among brain cells. It lacks the sedation effects associated with phenobarbital. There are some indications that phenytoin has other effects, including anxiety control and mood stabilization, although it has never been approved for those purposes by the FDA. Phenytoin is primarily metabolized by CYP2C9.","Absorption":"Bioavailability 70-100% oral, 24.4% for rectal and intravenous administration. Rapid rate of absorption with peak blood concentration expected in 1\u0026frac12; to 3 hours.","Interactions":[{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB05773"},{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB06216"},{"ID":"DB00732"},{"ID":"DB06626"},{"ID":"DB00443"},{"ID":"DB00290"},{"ID":"DB08873"},{"ID":"DB06772"},{"ID":"DB08907"},{"ID":"DB01101"},{"ID":"DB00958"},{"ID":"DB00262"},{"ID":"DB00446"},{"ID":"DB00475"},{"ID":"DB00269"},{"ID":"DB01114"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00515"},{"ID":"DB01211"},{"ID":"DB00882"},{"ID":"DB00628"},{"ID":"DB00363"},{"ID":"DB00930"},{"ID":"DB00286"},{"ID":"DB01380"},{"ID":"DB00091"},{"ID":"DB08912"},{"ID":"DB01254"},{"ID":"DB00705"},{"ID":"DB01234"},{"ID":"DB00829"},{"ID":"DB01119"},{"ID":"DB00266"},{"ID":"DB00255"},{"ID":"DB00280"},{"ID":"DB00822"},{"ID":"DB00988"},{"ID":"DB01135"},{"ID":"DB00254"},{"ID":"DB00651"},{"ID":"DB00783"},{"ID":"DB08866"},{"ID":"DB04573"},{"ID":"DB00655"},{"ID":"DB04574"},{"ID":"DB00977"},{"ID":"DB06414"},{"ID":"DB04953"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB00196"},{"ID":"DB00687"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB00690"},{"ID":"DB00176"},{"ID":"DB00158"},{"ID":"DB00695"},{"ID":"DB00996"},{"ID":"DB00317"},{"ID":"DB00741"},{"ID":"DB00619"},{"ID":"DB00762"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB08820"},{"ID":"DB01235"},{"ID":"DB00555"},{"ID":"DB00367"},{"ID":"DB01601"},{"ID":"DB00643"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB00563"},{"ID":"DB00553"},{"ID":"DB00959"},{"ID":"DB01336"},{"ID":"DB01011"},{"ID":"DB00379"},{"ID":"DB00683"},{"ID":"DB00370"},{"ID":"DB01226"},{"ID":"DB00401"},{"ID":"DB00717"},{"ID":"DB00338"},{"ID":"DB00776"},{"ID":"DB01303"},{"ID":"DB03585"},{"ID":"DB01337"},{"ID":"DB01384"},{"ID":"DB08883"},{"ID":"DB00812"},{"ID":"DB08901"},{"ID":"DB08901"},{"ID":"DB01263"},{"ID":"DB01058"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01224"},{"ID":"DB04575"},{"ID":"DB00908"},{"ID":"DB08896"},{"ID":"DB01045"},{"ID":"DB08864"},{"ID":"DB06201"},{"ID":"DB01104"},{"ID":"DB00877"},{"ID":"DB00364"},{"ID":"DB00359"},{"ID":"DB00576"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00277"},{"ID":"DB04572"},{"ID":"DB00208"},{"ID":"DB00932"},{"ID":"DB00684"},{"ID":"DB08895"},{"ID":"DB01124"},{"ID":"DB06212"},{"ID":"DB00273"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00620"},{"ID":"DB00897"},{"ID":"DB00440"},{"ID":"DB04571"},{"ID":"DB00427"},{"ID":"DB01199"},{"ID":"DB08867"},{"ID":"DB05294"},{"ID":"DB01339"},{"ID":"DB08881"},{"ID":"DB00661"},{"ID":"DB01080"},{"ID":"DB00570"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000139","Name":"Phenytoin Sodium "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00618","Drugs":["DB00252","DB01320"]},{"ID":"SMP00326","Drugs":["DB00252","DB01320","DB01345","DB01373"]},{"ID":"SMP00327","Drugs":["DB00118","DB00252","DB01345","DB01373","DB03435"]}]},{"ID":"DB00253","Name":"Medrysone","DrugType":"small molecule","HalfLife":"","Description":"Medrysone is a corticosteroid used in ophthalmology. [Wikipedia]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the treatment of allergic conjunctivitis, vernal conjunctivitis, episcleritis, and epinephrine sensitivity.","Toxicity":"","MechanismOfAction":"There is no generally accepted explanation for the mechanism of action of ocular corticosteroids. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor, arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. Initially, the drug binds to the glucocorticoid receptor in the cytosol. This migrates to the nucleus and binds to genetic elements which cause activation and repression of the involved genes in the inflammatory pathway.","Pharmacodynamics":"Medrysone is a topical anti-inflammatory corticoidsteroids for ophthalmic use. In patients with increased intraocular pressure and in those susceptible to a rise in intraocular pressure, there is less effect on pressure with medrysone than with dexamethasone or betamethasone. Corticoidsteroids inhibit the edema, fibrin deposition, capillary dilation, and phagocytic migration of the acute inflammatory response, as well as capillary proliferation, deposition of collagen, and scar formation.","Absorption":"Rapidly absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00254","Name":"Doxycycline","DrugType":"small molecule","HalfLife":"18-22 hours","Description":"A synthetic tetracycline derivative with similar antimicrobial activity. Animal studies suggest that it may cause less tooth staining than other tetracyclines. It is used in some areas for the treatment of chloroquine-resistant falciparum malaria (malaria, falciparum). [PubChem]","Classification":{"Description":"This compound belongs to the naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.","DirectParent":"Naphthacenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"Doxycycline is indicated for use in respiratory tract infections caused by Mycoplasma pneumoniae, Haemophilus influenzae, Streptococcus pneumoniae, Legionella spp., or Klebsiella spp. It is also used for prophylaxis of malaria. Doxycycline is indicated for a variety of bacterial infections, from Mycobacterium fortuitum and M. marinum, to susceptible E. coli and Brucella spp. It can be used as an alternative to treating plague, tetanus, Campylobacter fetus \r\n","Toxicity":"Symptoms of overdose include anorexia, nausea, diarrhoea, glossitis, dysphagia, enterocolitis and inflammatory lesions (with monilial overgrowth) in the anogenital region, skin reactions such as maculopapular and erythematous rashes, exfoliative dermatitis, photosensitivity, hypersensitivity reactions such as urticaria, angioneurotic oedema, anaphylaxis, anaphyl-actoid purpura, pericarditis, and exacerbation of systemic lupus erythematosus, benign intracranial hypertension in adults disappearing on discontinuation of the medicine, haematologic abnormalities such as haemolytic anaemia, thrombocytopenia, neutropenia, and eosinophilia. LD\u003csub\u003e50\u003c/sub\u003e=262 mg/kg (I.P. in rat).","MechanismOfAction":"Doxycycline, like minocycline, is lipophilic and can pass through the lipid bilayer of bacteria. Doxycycline reversibly binds to the 30 S ribosomal subunits and possibly the 50S ribosomal subunit(s), blocking the binding of aminoacyl tRNA to the mRNA and inhibiting bacterial protein synthesis. Doxycycline prevents the normal function of the apicoplast of Plasmodium falciparum, a malaria causing organism. ","Pharmacodynamics":"Doxycycline, a long-acting tetracycline derived from oxytetracycline, is used to inhibit bacterial protein synthesis and treat non-gonococcal urethritis and cervicitis, exacerbations of bronchitis in patients with COPD, and adult periodontitis.","Absorption":"Completely absorbed following oral administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB00459"},{"ID":"DB01370"},{"ID":"DB01351"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB01574"},{"ID":"DB01061"},{"ID":"DB00355"},{"ID":"DB01602"},{"ID":"DB01053"},{"ID":"DB00307"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB00564"},{"ID":"DB00578"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00930"},{"ID":"DB01000"},{"ID":"DB00485"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB00926"},{"ID":"DB00301"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB00739"},{"ID":"DB01355"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB00982"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00474"},{"ID":"DB00563"},{"ID":"DB00849"},{"ID":"DB01603"},{"ID":"DB00948"},{"ID":"DB00607"},{"ID":"DB00713"},{"ID":"DB00417"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB01604"},{"ID":"DB01605"},{"ID":"DB00794"},{"ID":"DB01346"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00418"},{"ID":"DB00306"},{"ID":"DB00706"},{"ID":"DB01606"},{"ID":"DB00599"},{"ID":"DB01607"},{"ID":"DB01036"},{"ID":"DB00755"},{"ID":"DB00682"},{"ID":"DB01593"}],"Salts":[{"ID":"DBSALT000896","Name":"Doxycycline hyclate"},{"ID":"DBSALT000897","Name":"Doxycycline hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00291","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00254","DB01972","DB02431","DB03685"]}]},{"ID":"DB00255","Name":"Diethylstilbestrol","DrugType":"small molecule","HalfLife":"","Description":"A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed)","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Used in the treatment of prostate cancer. Previously used in the prevention of miscarriage or premature delivery in pregnant women prone to miscarriage or premature delivery.","Toxicity":"Symptoms of overdose include nausea and vomiting, and withdrawal bleeding may occur in females.","MechanismOfAction":"Estrogens diffuse into their target cells and interact with a protein receptor, the estrogen receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. The effect of Estrogen binding their receptors causes downstream increases the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH).","Pharmacodynamics":"Diethylstilbestrol is a synthetic estrogen that was developed to supplement a woman's natural estrogen production. In 1971, the Food and Drug Administration (FDA) issued a Drug Bulletin advising physicians to stop prescribing DES to pregnant women because it was linked to a rare vaginal cancer in female offspring.","Absorption":"","Interactions":[{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00481"},{"ID":"DB00418"},{"ID":"DB00306"},{"ID":"DB00932"},{"ID":"DB01586"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00256","Name":"Lymecycline","DrugType":"small molecule","HalfLife":"","Description":"A tetracycline with a 7-chloro substitution. [PubChem]","Classification":{"Description":"This compound belongs to the naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.","DirectParent":"Naphthacenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"For the treatment of infections and to treat acne. It may also be used to treat urinary tract infections, gum disease, and other bacterial infections such as gonorrhea and chlamydia. Lymecycline is also used commonly as a prophylactic treatment for infection by \u003ci\u003eBacillus anthracis\u003c/i\u003e (anthrax). It is also effective against \u003ci\u003eYersinia pestis\u003c/i\u003e and malaria and is also prescribed for the treatment of Lyme disease.","Toxicity":"Adverse effects include nausea, vomiting, diarrhoea, glossitis, enterocolitis, dysphagia, dermatitis, hypersensitivity reactions, proctitis, and vaginitis.","MechanismOfAction":"Lymecycline inhibits cell growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Lymecycline is lipophilic and can easily pass through the cell membrane or passively diffuses through porin channels in the bacterial membrane. Cells become resistant to lymecycline by at least two mechanisms: efflux and ribosomal protection. In efflux, a resistance gene encodes a membrane protein that actively pumps lymecycline out of the cell. This is the mechanism of action of the tetracycline resistance gene on the artificial plasmid pBR322. In ribosomal protection, a resistance gene encodes a protein which binds to the ribosome and prevents lymecycline from acting on the ribosome.","Pharmacodynamics":"Lymecycline is a tetracycline broad-spectrum antibiotic. It is approximately 5000 times more soluble than tetracycline base and is unique amongst tetracyclines in that it is absorbed by the \"active transport\" process across the intestinal wall, making use of the same fast and efficient mechanism by which carbohydrates are absorbed. It inhibits cell growth by inhibiting translation.","Absorption":"Absorption is fast and efficient. Bioavailability is 100% following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00295","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00256","DB01972","DB02431","DB03685"]}]},{"ID":"DB00257","Name":"Clotrimazole","DrugType":"small molecule","HalfLife":"2 hours","Description":"An imidazole derivative with a broad spectrum of antimycotic activity. It inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. [PubChem]","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For the local treatment of oropharyngeal candidiasis and vaginal yeast infections, also used in fungal infections of the skin such as ringworm, athlete's foot, and jock itch.","Toxicity":"Symptoms of overdose include erythema, stinging, blistering, peeling, edema, pruritus, urticaria, burning, and general irritation of the skin, and cramps.","MechanismOfAction":"Clotrimazole interacts with yeast 14-\u0026alpha; demethylase, a cytochrome P-450 enzyme that converts lanosterol to ergosterol, an essential component of the membrane. In this way, clotrimazole inhibits ergosterol synthesis, resulting in increased cellular permeability. Clotrimazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms and the uptake of purine, impair triglyceride and/or phospholipid biosynthesis, and inhibit the movement of calcium and potassium ions across the cell membrane by blocking the ion transport pathway known as the Gardos channel.","Pharmacodynamics":"Clotrimazole, an imidazole derivative with a broad spectrum of antimycotic activity, inhibits biosynthesis of the sterol ergostol, an important component of fungal cell membranes. Its action leads to increased membrane permeability and apparent disruption of enzyme systems bound to the membrane. Betamethasone and clotrimazole are used together to treat cutaneous tinea infections. In studies in fungal cultures, the minimum fungicidal concentration of clotrimazole caused leakage of intracellular phosphorous compounds into the ambient medium with concomitant breakdown of cellular nucleic acids, and accelerated potassium etflux. Both of these events began rapidly and extensively after addition of the drug to the cultures. The primary action of clotrimazole is against dividing and growing organisms.","Absorption":"Poorly and erratically absorbed orally, minimal vaginal or topical absorption.","Interactions":[{"ID":"DB06274"},{"ID":"DB01222"},{"ID":"DB01394"},{"ID":"DB01590"},{"ID":"DB00813"},{"ID":"DB01218"},{"ID":"DB08815"},{"ID":"DB00243"},{"ID":"DB00864"},{"ID":"DB00706"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB00193"},{"ID":"DB00656"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00258","Name":"Calcium Acetate","DrugType":"small molecule","HalfLife":"","Description":"The chemical compound calcium acetate is the calcium salt of acetic acid. An older name is acetate of lime. The anhydrous form is very hygroscopic, therefore the monohydrate is the common form. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Calcium acetate is one of a number of calcium salts used to treat hyperphosphatemia (too much phosphate in the blood) in patients with kidney disease.","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 4280 mg/kg. Symptoms of overdose include mild hypercalcemia (constipation; loss of appetite; nausea and vomiting), and severe hypercalcemia (confusion; full or partial loss of consciousness; incoherent speech).","MechanismOfAction":"Calcium acetate and other calcium salts are phosphate binders. They work by binding with the phosphate in the food you eat, so that it is eliminated from the body without being absorbed.","Pharmacodynamics":"Patients with advanced renal insufficiency (creatinine clearance less than 30 ml/min) exhibit phosphate retention and some degree of hyperphosphatemia. The retention of phosphate plays a pivotal role in causing secondary hyperparathyroidism associated with osteodystrophy, and soft-tissue calcification. The mechanism by which phosphate retention leads to hyperparathyroidism is not clearly delineated. Therapeutic efforts directed toward the control of hyperphosphatemia include reduction in the dietary intake of phosphate, inhibition of absorption of phosphate in the intestine with phosphate binders, and removal of phosphate from the body by more efficient methods of dialysis. The rate of removal of phosphate by dietary manipulation or by dialysis is insufficient. Dialysis patients absorb 40% to 80% of dietary phosphorus. Therefore, the fraction of dietary phosphate absorbed from the diet needs to be reduced by using phosphate binders in most renal failure patients on maintenance dialysis. Calcium acetate when taken with meals combines with dietary phosphate to form insoluble calcium phosphate which is excreted in the feces. Maintenance of serum phosphorus below 6.0 mg/dl is generally considered as a clinically acceptable outcome of treatment with phosphate binders. Calcium acetate is highly soluble at neutral pH, making the calcium readily available for binding to phosphate in the proximal small intestine.","Absorption":"40% is absorbed in the fasting state and approximately 30% is absorbed in the nonfasting state following oral administration.","Interactions":[{"ID":"DB00630"},{"ID":"DB06724"},{"ID":"DB01164"},{"ID":"DB01212"},{"ID":"DB00537"},{"ID":"DB00720"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB06210"},{"ID":"DB01196"},{"ID":"DB01077"},{"ID":"DB01155"},{"ID":"DB00710"},{"ID":"DB01137"},{"ID":"DB00451"},{"ID":"DB00279"},{"ID":"DB01583"},{"ID":"DB00978"},{"ID":"DB01017"},{"ID":"DB00779"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB00884"},{"ID":"DB01208"},{"ID":"DB00759"},{"ID":"DB01133"},{"ID":"DB06824"},{"ID":"DB00685"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00259","Name":"Sulfanilamide","DrugType":"small molecule","HalfLife":"","Description":"Sulfanilamide is a molecule containing the sulfonamide functional group attached to an aniline. [Wikipedia]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of vulvovaginitis caused by \u003ci\u003eCandida albicans\u003c/i\u003e.","Toxicity":"Oral, mouse LD\u003csub\u003e50\u003c/sub\u003e = 3700 mg/kg; Intravenous, mouse LD\u003csub\u003e50\u003c/sub\u003e = 621 mg/kg; Oral, rabbit LD\u003csub\u003e50\u003c/sub\u003e = 1300 mg/kg. Side effects include itching, burning, skin rash, redness, swelling, or other sign of irritation not present before use of this medicine and long-term use of sulfonamides may cause cancer of the thyroid gland.","MechanismOfAction":"Sulfanilamide is a competitive inhibitor of bacterial enzyme dihydropteroate synthetase. This enzyme normally uses para-aminobenzoic acid (PABA) for synthesizing the necessary folic acid. The inhibited reaction is normally necessary in these organisms for the synthesis of folic acid. Without it, bacteria cannot replicate.","Pharmacodynamics":"Sulfanilamide is a sulfonamide antibiotic. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"Sulfonamides are absorbed through the vaginal mucosa. There are no pharmacokinetic data available describing how much of an intravaginal dose reaches the systemic circulation.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00260","Name":"Cycloserine","DrugType":"small molecule","HalfLife":"Half-life in patients with normal renal function is 10 hours, and is prolonged in patients with impaired renal function.","Description":"Antibiotic substance produced by Streptomyces garyphalus. [PubChem]","Classification":{"Description":"This compound belongs to the oxazolidinones. These are compounds containing an oxatriazolidinone moiety, which is an oxatriazolidine bearing a ketone group.","DirectParent":"Oxazolidinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Oxazolidines"},"Indication":"Used in combination with up to 5 other drugs as a treatment for Mycobacterium avium complex (MAC) and is also used to treat tuberculosis (TB).","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in mouse is 5290 mg/kg, and in rat is over 5000 mg/kg. Symptoms of a cycloserine overdose include drowsiness, confusion, headache, dizziness, irritability, numbness and tingling, difficulty speaking, paralysis, abnormal behavior, seizures, and unconsciousness.","MechanismOfAction":"Cycloserine is an analog of the amino acid D-alanine. It interferes with an early step in bacterial cell wall synthesis in the cytoplasm by competitive inhibition of two enzymes, L-alanine racemase, which forms D-alanine from L-alanine, and D-alanylalanine synthetase, which incorporates D-alanine into the pentapeptide necessary for peptidoglycan formation and bacterial cell wall synthesis.","Pharmacodynamics":"Cycloserine, a broad-spectrum antibiotic, may be bactericidal or bacteriostatic, depending on its concentration at the site of infection and the susceptibility of the organism. Cycloserine works by blocking the formation of these peptidoglycans. By doing this the walls of the bacteria become weak and it results in the death of the bacteria","Absorption":"Rapidly and almost completely absorbed (70 to 90%) from the gastrointestinal tract following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00261","Name":"Anagrelide","DrugType":"small molecule","HalfLife":"At fasting and at a dose of 0.5 mg of anagrelide, the plasma half-life is 1.3 hours.","Description":"Anagrelide is a drug used for the treatment of essential thrombocytosis (ET; essential thrombocythemia). It also has been used in the treatment of chronic myeloid leukemia. [Wikipedia]","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For the treatment of patients with thrombocythemia, secondary to myeloproliferative disorders, to reduce the elevated platelet count and the risk of thrombosis and to ameliorate associated symptoms including thrombo-hemorrhagic events.","Toxicity":"There are no reports of overdosage with anagrelide, however thrombocytopenia, which can potentially cause bleeding, is expected from overdosage. Single oral doses of anagrelide at 2,500, 1,500 and 200 mg/kg in mice, rats and monkeys, respectively, were not lethal. Symptoms of acute toxicity were: decreased motor activity in mice and rats and softened stools and decreased appetite in monkeys.","MechanismOfAction":"The mechanism by which anagrelide reduces blood platelet count is still under investigation. Studies in patients support a hypothesis of dose-related reduction in platelet production resulting from a decrease in megakaryocyte hypermaturation. In blood withdrawn from normal volunteers treated with anagrelide, a disruption was found in the postmitotic phase of megakaryocyte development and a reduction in megakaryocyte size and ploidy. At therapeutic doses, anagrelide does not produce significant changes in white cell counts or coagulation parameters, and may have a small, but clinically insignificant effect on red cell parameters. Anagrelide inhibits cyclic AMP phosphodiesterase III (PDEIII). PDEIII inhibitors can also inhibit platelet aggregation. However, significant inhibition of platelet aggregation is observed only at doses of anagrelide higher than those required to reduce platelet count.","Pharmacodynamics":"Anagrelide is a drug used for the treatment of essential thrombocytosis (ET; essential thrombocythemia). It works by inhibiting the maturation of megakaryocytes into platelets. The exact mechanism of action is unclear, although it is known to be a potent (IC50 = 36nM) inhibitor of phosphodiesterase-III.","Absorption":"","Interactions":[{"ID":"DB01381"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000379","Name":"Anagrelide Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00262","Name":"Carmustine","DrugType":"small molecule","HalfLife":"15-30 minutes","Description":"A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed)","Classification":{"Description":"This compound belongs to the semicarbazides. These are organic compounds containing the semicarbazide functional grou with the general structure R1(N)R2NR3C(=O)N(R4)R5 (R1-R5=H,alkyl,aryl), a derivative of urea, where the amine group on one side has been replace by an hydrazine group.","DirectParent":"Semicarbazides","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Hydrazines and Derivatives","SubClass":"Semicarbazides"},"Indication":"For the treatment of brain tumors, multiple myeloma, Hodgkin's disease and Non-Hodgkin's lymphomas.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003es in rat and mouse are 20 mg/kg and 45 mg/kg, respectively. Side effects include leukopenia, thrombocytopenia, nausea. Toxic effects include pulmonary fibrosis (20-0%) and bone marrow toxicity.","MechanismOfAction":"Carmustine causes cross-links in DNA and RNA, leading to the inhibition of DNA synthesis, RNA production and RNA translation (protein synthesis). Carmustine also binds to and modifies (carbamoylates) glutathione reductase. This leads to cell death.","Pharmacodynamics":"Carmustine is one of the nitrosoureas indicated as palliative therapy as a single agent or in established combination therapy with other approved chemotherapeutic agents in treatment of brain tumors, multiple myeloma, Hodgkin's disease, and non-Hodgkin's lymphomas. Although it is generally agreed that carmustine alkylates DNA and RNA, it is not cross resistant with other alkylators. As with other nitrosoureas, it may also inhibit several key enzymatic processes by carbamoylation of amino acids in proteins.","Absorption":"5 to 28% bioavailability","Interactions":[{"ID":"DB06769"},{"ID":"DB00501"},{"ID":"DB00390"},{"ID":"DB01320"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00252"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB00864"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00263","Name":"Sulfisoxazole","DrugType":"small molecule","HalfLife":"","Description":"A short-acting sulfonamide antibacterial with activity against a wide range of gram- negative and gram-positive organisms. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of severe, repeated, or long-lasting urinary tract infections, meningococcal meningitis, acute otitis media, trachoma, inclusion conjunctivitis, nocardiosis, chancroid, toxoplasmosis, malaria and other bacterial infections.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=6800 mg/kg (Orally in mice)","MechanismOfAction":"Sulfisoxazole is a competitive inhibitor of the enzyme dihydropteroate synthetase. It inhibits bacterial synthesis of dihydrofolic acid by preventing the condensation of the pteridine with para-aminobenzoic acid (PABA), a substrate of the enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Pharmacodynamics":"Sulfisoxazole is a sulfonamide antibiotic. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"","Interactions":[{"ID":"DB00672"},{"ID":"DB00563"},{"ID":"DB00675"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00440"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"}],"Salts":[{"ID":"DBSALT000856","Name":"Acetyl sulfisoxazole"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00264","Name":"Metoprolol","DrugType":"small molecule","HalfLife":"3-7 hours","Description":"Metoprolol is a cardioselective β1-adrenergic blocking agent used for acute myocardial infarction (MI), heart failure, angina pectoris and mild to moderate hypertension. It may also be used for supraventricular and tachyarrhythmias and prophylaxis for migraine headaches. Metoprolol is structurally similar to bisoprolol, acebutolol and atenolol in that it has two substituents in the \u003ci\u003epara\u003c/i\u003e position of the benzene ring. The β1-selectivity of these agents is thought to be due in part to the large substituents in the \u003ci\u003epara\u003c/i\u003e position. At low doses, metoprolol selectively blocks cardiac β1-adrenergic receptors with little activity against β2-adrenergic receptors of the lungs and vascular smooth muscle. Receptor selectivity decreases with higher doses. Unlike propranolol and pindolol, metoprolol does not exhibit membrane-stabilizing or intrinsic sympathomimetic activity. Membrane-stabilizing effects are only observed at doses much higher than those needed for β-adrenergic blocking activity. Metoprolol possesses a single chiral centre and is administered as a racemic mixture. ","Classification":{"Description":"This compound belongs to the tyrosols and derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.","DirectParent":"Tyrosols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the management of acute myocardial infarction, angina pectoris, heart failure and mild to moderate hypertension. May be used to treat supraventricular and tachyarrhythmias and as prophylaxis for migraine headaches.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=5500 mg/kg (orally in rats), toxic effects include bradycardia, hypotension, bronchospasm, and cardiac failure. LD\u003csub\u003e50\u003c/sub\u003e=2090 mg/kg (orally in mice)","MechanismOfAction":"Metoprolol competes with adrenergic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart. Beta(1)-receptor blockade results in a decrease in heart rate, cardiac output, and blood pressure.","Pharmacodynamics":"Metoprolol, a competitive, beta1-selective (cardioselective) adrenergic antagonist, is similar to atenolol in its moderate lipid solubility, lack of intrinsic sympathomimetic activity (ISA), and weak membrane stabilizing activity (MSA).","Absorption":"Rapid and complete, 50%","Interactions":[{"ID":"DB00414"},{"ID":"DB00672"},{"ID":"DB00501"},{"ID":"DB00215"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB04855"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01275"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00247"},{"ID":"DB08893"},{"ID":"DB00816"},{"ID":"DB00715"},{"ID":"DB01174"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB00794"},{"ID":"DB01366"},{"ID":"DB01182"},{"ID":"DB00912"},{"ID":"DB01045"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB01104"},{"ID":"DB00976"},{"ID":"DB01162"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT000863","Name":"Metoprolol succinate"},{"ID":"DBSALT000862","Name":"Metoprolol tartrate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00265","Name":"Crotamiton","DrugType":"small molecule","HalfLife":"","Description":"Crotamiton is a scabicidal and antipruritic agent available as a cream or lotion for topical use only. It is a colorless to slightly yellowish oil, having a faint amine-like odor. It is miscible with alcohol and with methanol.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For eradication of scabies (\u003ci\u003eSarcoptes scabiei\u003c/i\u003e) and for symptomatic treatment of pruritic skin.","Toxicity":"","MechanismOfAction":"Crotamiton is an antiparasitic that is toxic to the scabies mite. Crotamiton also relieves itching by producing what is called a counter-irritation. As crotamiton evaporates from the skin, it produces a cooling effect. This cooling effect helps to divert your body's attention away from the itching.","Pharmacodynamics":"Crotamiton is usually used to treat pruritis (itching of the skin) caused by scabies or sunburn. Crotamiton relieves itching by producing what is called a counter-irritation. As crotamiton evaporates from the skin, it produces a cooling effect. This cooling effect helps to divert your body's attention away from the itching. Due to this cooling effect it is also effective for the relief of sunburn. The drug is also believed to kill scabies through an unknown mechanism.","Absorption":"10 % absorbed when applied locally.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00266","Name":"Dicoumarol","DrugType":"small molecule","HalfLife":"","Description":"An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases. [PubChem]","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"For decreasing blood clotting. Often used along with heparin for treatment of deep vein thrombosis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=233 mg/kg (orally in mice); LD\u003csub\u003e50\u003c/sub\u003e=250 mg/kg (orally in rats)","MechanismOfAction":"Dicumarol inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decresed prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots.","Pharmacodynamics":"Dicumarol is an coumarin-like compound found in sweet clover. It is used as an oral anticoagulant and acts by inhibiting the hepatic synthesis of vitamin K-dependent coagulation factors (prothrombin and factors VII, IX, and X). It is also used in biochemical experiments as an inhibitor of reductases.","Absorption":"","Interactions":[{"ID":"DB00316"},{"ID":"DB00414"},{"ID":"DB00945"},{"ID":"DB00437"},{"ID":"DB00357"},{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00993"},{"ID":"DB00207"},{"ID":"DB00443"},{"ID":"DB00559"},{"ID":"DB01101"},{"ID":"DB00564"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB01212"},{"ID":"DB00482"},{"ID":"DB00672"},{"ID":"DB01432"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB00636"},{"ID":"DB00375"},{"ID":"DB00531"},{"ID":"DB01406"},{"ID":"DB00618"},{"ID":"DB01234"},{"ID":"DB00647"},{"ID":"DB00509"},{"ID":"DB00586"},{"ID":"DB00485"},{"ID":"DB00861"},{"ID":"DB00822"},{"ID":"DB00254"},{"ID":"DB00199"},{"ID":"DB00189"},{"ID":"DB00977"},{"ID":"DB00749"},{"ID":"DB01628"},{"ID":"DB01039"},{"ID":"DB00573"},{"ID":"DB00196"},{"ID":"DB00687"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB01185"},{"ID":"DB00712"},{"ID":"DB01095"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00317"},{"ID":"DB00441"},{"ID":"DB01241"},{"ID":"DB01120"},{"ID":"DB01437"},{"ID":"DB01016"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB01050"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00328"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB01097"},{"ID":"DB00848"},{"ID":"DB01137"},{"ID":"DB00451"},{"ID":"DB00227"},{"ID":"DB01283"},{"ID":"DB00603"},{"ID":"DB00784"},{"ID":"DB00358"},{"ID":"DB00814"},{"ID":"DB01033"},{"ID":"DB00763"},{"ID":"DB00916"},{"ID":"DB01110"},{"ID":"DB01017"},{"ID":"DB00648"},{"ID":"DB00218"},{"ID":"DB00461"},{"ID":"DB00779"},{"ID":"DB00788"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB01083"},{"ID":"DB00991"},{"ID":"DB03585"},{"ID":"DB00715"},{"ID":"DB00806"},{"ID":"DB01174"},{"ID":"DB00812"},{"ID":"DB00252"},{"ID":"DB00554"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB01182"},{"ID":"DB00550"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00863"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00976"},{"ID":"DB00469"},{"ID":"DB00624"},{"ID":"DB00759"},{"ID":"DB00560"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00656","Drugs":["DB00266","DB01373"]},{"ID":"SMP00270","Drugs":["DB00266","DB01373"]}]},{"ID":"DB00267","Name":"Cefmenoxime","DrugType":"small molecule","HalfLife":"1 hour","Description":"Cefmenoxime is a third-generation cephalosporin antibiotic. [Wikipedia]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to treat female gynecologic and obstetric infections caused by susceptible aerobic (including the gonococcus) and anaerobic bacteria.","Toxicity":"Information on cefmenoxime overdosage in humans is not available. However, with other b-lactam antibiotics, adverse effects following overdosage have included nausea, vomiting, epigastric distress, diarrhea, and convulsions.","MechanismOfAction":"The bactericidal activity of cefmenoxime results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cefmenoxime is stable in the presence of a variety of b-lactamases, including penicillinases and some cephalosporinases.","Pharmacodynamics":"Cefmenoxime is a semisynthetic beta-lactam cephalosporin antibiotic with activity similar to that of cefotaxime. It has broad spectrum activity against Gram positive and Gram negative bacteria.","Absorption":"Bioavailability is approximately 100% following intramuscular injection.","Interactions":null,"Salts":[{"ID":"DBSALT000801","Name":"Cefmenoxime hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00268","Name":"Ropinirole","DrugType":"small molecule","HalfLife":"6 hours","Description":"Ropinirole is a non-ergoline dopamine agonist, manufactured by GlaxoSmithKline. It is used in the treatment of Parkinson's disease, and is also one of two medications in the United States with an FDA-approved indication for the treatment of restless legs syndrome (the other being Pramipexole). [Wikipedia]","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"For the treatment of the signs and symptoms of idiopathic Parkinson's disease. Also used for the treatment of restless legs syndrome.","Toxicity":"Symptoms of overdose include agitation, chest pain, confusion, drowsiness, facial muscle movements, grogginess, increased jerkiness of movement, symptoms of low blood pressure (dizziness, light-headedness)upon standing, nausea, and vomiting.","MechanismOfAction":"Ropinirole binds the dopamine receptors D\u003csub\u003e3\u003c/sub\u003e and D\u003csub\u003e2\u003c/sub\u003e. Although the precise mechanism of action of ropinirole as a treatment for Parkinson's disease is unknown, it is believed to be related to its ability to stimulate these receptors in the striatum. This conclusion is supported by electrophysiologic studies in animals that have demonstrated that ropinirole influences striatal neuronal firing rates via activation of dopamine receptors in the striatum and the substantia nigra, the site of neurons that send projections to the striatum.","Pharmacodynamics":"Ropinirole is a nonergot dopamine agonist with high relative \u003ci\u003ein vitro\u003c/i\u003e specificity and full intrinsic activity at the D\u003csub\u003e2\u003c/sub\u003e subfamily of dopamine receptors, binding with higher affinity to D\u003csub\u003e3\u003c/sub\u003e than to D\u003csub\u003e2\u003c/sub\u003e or D\u003csub\u003e4\u003c/sub\u003e receptor subtypes. The relevance of D\u003csub\u003e3\u003c/sub\u003e receptor binding in Parkinson's disease is unknown. The mechanism of ropinirole-induced postural hypotension is presumed to be due to a D\u003csub\u003e2\u003c/sub\u003e -mediated blunting of the noradrenergic response to standing and subsequent decrease in peripheral vascular resistance.","Absorption":"Absolute bioavailability is 55%, indicating a first pass effect. Food does not affect the extent of absorption.","Interactions":[{"ID":"DB00537"},{"ID":"DB01551"},{"ID":"DB00176"},{"ID":"DB01267"},{"ID":"DB01623"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000390","Name":"Ropinirole Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00269","Name":"Chlorotrianisene","DrugType":"small molecule","HalfLife":"","Description":"A powerful synthetic, non-steroidal estrogen. [PubChem]","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Used to treat symptoms of menopause, deficiencies in ovary function (including underdevelopment of female sexual characteristics and some types of infertility), and in rare cases, prostate cancer. Chlorotrianisene may also be used to prevent breast engorgement following childbirth.","Toxicity":"Acute overdosage of large doses of oral contraceptives in chidren reportedly produces almost no toxicity except nausea and vomiting. Acute overdosage of estrogens may cause nausea, and withdrawal bleeding may occur in females.","MechanismOfAction":"Chlorotrianisene binds to the estrogen receptor on various estrogen receptor bearing cells. Target cells include cells in the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary.","Pharmacodynamics":"Chlorotrianisene is a nonsteroidal synthetic estrogen. After menopause, when the body no longer produces estrogen, chlorotrianisene is used as a simple replacement of estrogen. The estrogen-stimulated endometrium may bleed within 48-72 hours after discontinuance of estrogen therapy. Paradoxically, prolonged estrogen therapy may cause shrinkage of the endometrium and an increase in size of the myometrium. Estrogens have a weak anabolic effect and may cause sodium retention with associated fluid retention and edema. Estrogens may also decrease elevated blood cholesterol and phospholipid concentrations. Estrogens affect bone by increasing calcium deposition and accelerating epiphyseal closure, following initial growth stimulation. During the preovulatory or nonovulatory phase of the menstrual cycle, estrogen is the principal determinant in the onset of menstruation. A decline of estrogenic activity at the end of the menstrual cycle also may induce menstruation; however, the cessation of progesterone secretion is the most important factor during the mature ovulatory phase of the menstrual cycle. The benefit derived from estrogen therapy in the prevention of postpartum breast engorgement must be carefully weighed against the potential\u0026nbsp;increased risk of puerperal thromboembolism\u0026nbsp;associated with the use of large doses of estrogens.","Absorption":"Absorption following oral administration is rapid.","Interactions":[{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00481"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00270","Name":"Isradipine","DrugType":"small molecule","HalfLife":"8 hours","Description":"Isradipine belongs to the dihydropyridine (DHP) class of calcium channel blockers (CCBs), the most widely used class of CCBs. It is structurally related to felodipine, nifedipine, and nimodipine and is the most potent calcium-channel blocking agent of the DHP class. Isradipine binds to calcium channels with high affinity and specificity and inhibits calcium flux into cardiac and arterial smooth muscle cells. It exhibits greater selectivity towards arterial smooth muscle cells owing to alternative splicing of the alpha-1 subunit of the channel and increased prevalence of inactive channels in smooth muscle cells. Isradipine may be used to treat mild to moderate essential hypertension. ","Classification":{"Description":"This compound belongs to the benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-member ring with two carbon atoms, one nitrogen atom, and one oxygen atom).","DirectParent":"Benzoxadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxadiazoles","SubClass":""},"Indication":"For the management of mild to moderate essential hypertension. It may be used alone or concurrently with thiazide-type diuretics.","Toxicity":"Symptoms of overdose include lethargy, sinus tachycardia, and transient hypotension. Significant lethality was observed in mice given oral doses of over 200 mg/kg and rabbits given about 50 mg/kg of isradipine. Rats tolerated doses of over 2000 mg/kg without effects on survival.","MechanismOfAction":"Isradipine belongs to the dihydropyridine (DHP) class of calcium channel blockers (CCBs), the most widely used class of CCBs. There are at least five different types of calcium channels in \u003ci\u003eHomo sapiens\u003c/i\u003e: L-, N-, P/Q-, R- and T-type. CCBs target L-type calcium channels, the major channel in muscle cells that mediates contraction. Similar to other DHP CCBs, isradipine binds directly to inactive calcium channels stabilizing their inactive conformation. Since arterial smooth muscle depolarizations are longer in duration than cardiac muscle depolarizations, inactive channels are more prevalent in smooth muscle cells. Alternative splicing of the alpha-1 subunit of the channel gives isradipine additional arterial selectivity. At therapeutic sub-toxic concentrations, isradipine has little effect on cardiac myocytes and conduction cells.","Pharmacodynamics":"Isradipine decreases arterial smooth muscle contractility and subsequent vasoconstriction by inhibiting the influx of calcium ions through L-type calcium channels. Calcium ions entering the cell through these channels bind to calmodulin. Calcium-bound calmodulin then binds to and activates myosin light chain kinase (MLCK). Activated MLCK catalyzes the phosphorylation of the regulatory light chain subunit of myosin, a key step in muscle contraction. Signal amplification is achieved by calcium-induced calcium release from the sarcoplasmic reticulum through ryanodine receptors. Inhibition of the initial influx of calcium decreases the contractile activity of arterial smooth muscle cells and results in vasodilation. The vasodilatory effects of isradipine result in an overall decrease in blood pressure. ","Absorption":"Isradipine is 90%-95% absorbed and is subject to extensive first-pass metabolism, resulting in a bioavailability of about 15%-24%.","Interactions":[{"ID":"DB06697"},{"ID":"DB06708"},{"ID":"DB01369"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00599"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB00539"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00378","Drugs":["DB00270","DB01345","DB01373"]}]},{"ID":"DB00271","Name":"Diatrizoate","DrugType":"small molecule","HalfLife":"","Description":"A commonly used x-ray contrast medium. As diatrizoate meglumine and as Diatrizoate sodium, it is used for gastrointestinal studies, angiography, and urography. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Used, alone or in combination, for a wide variety of diagnostic imaging methods, including angiography, urography, cholangiography, computed tomography, hysterosalpingography, and retrograde pyelography. It can be used for imaging the gastrointestinal tract in patients allergic to barium.","Toxicity":"High osmolal radiocontrast agents like diatrizoate are cytotoxic to renal cells. The toxic effects include apoptosis, cellular energy failure, disruption of calcium homeostasis, and disturbance of tubular cell polarity, and are thought to be linked to oxidative stress.","MechanismOfAction":"Diatrizoate is an iodine-containing X-ray contrast agent. Iodated contrast agents were among the first contrast agents developed. Iodine is known to be particular electron-dense and to effectively scatter or stop X-rays. A good contrast agent requires a high density of electron-dense atoms. Therefore, the more iodine, the more \"dense\" the x-ray effect. Iodine based contrast media are water soluble and harmless to the body. These contrast agents are sold as clear colorless water solutions, the concentration is usually expressed as mg I/ml. Modern iodinated contrast agents can be used almost anywhere in the body. Most often they are used intravenously, but for various purposes they can also be used intraarterially, intrathecally (the spine) and intraabdominally - just about any body cavity or potential space.","Pharmacodynamics":"Diatrizoate is the most commonly used water-soluble, iodinated, radiopaque x-ray contrast medium. Radiopaque agents are drugs used to help diagnose certain medical problems. They contain iodine, which blocks x-rays. Depending on how the radiopaque agent is given, it localizes or builds up in certain areas of the body. The resulting high level of iodine allows the x-rays to make a \"picture\" of the area. The areas of the body in which the radiopaque agent localizes will appear white on the x-ray film. This creates the needed distinction, or contrast, between one organ and other tissues. The contrast will help the doctor see any special conditions that may exist in that organ or part of the body.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000844","Name":"Diatrizoate meglumine"},{"ID":"DBSALT000267","Name":"Diatrizoate sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00272","Name":"Betazole","DrugType":"small molecule","HalfLife":"","Description":"A histamine H2 agonist used clinically to test gastric secretory function. [PubChem]","Classification":{"Description":"This compound belongs to the pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.","DirectParent":"Pyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"For use clinically to test gastric secretory function.","Toxicity":"","MechanismOfAction":"Betazole is a histamine analogue. It produces the same effects as histamine, binding the H2 receptor which is a mediator of gastric acid secretion. This agonist action thereby results in an increase in the volume of gastric acid produced.","Pharmacodynamics":"Betazole is a histamine H2 agonist used in a test for measuring maximal production of gastric acidity or anacidity. This measurement can be used to diagnose diseases such as Zollinger-Ellison syndrome, whereby the volume of gastric and basal secretions is measured following betazole administration (greater than 60% of the maximal acid secretion following betazole stimulation). In another test, gastritis can be diagnosed given late absence of gastric acid which is unresponsive to betazole stimulation. Betazole can be used as a gastric secretory stimulant instead of histamine with the advantage of not provoking side effects and thus not requiring the use of antihistaminic compounds.","Absorption":"Rapid and complete.","Interactions":null,"Salts":[{"ID":"DBSALT000898","Name":"Betazole hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00736","Drugs":["DB00272","DB01345","DB01593"]}]},{"ID":"DB00273","Name":"Topiramate","DrugType":"small molecule","HalfLife":"19 to 23 hours. The mean elimination half-life was 31 hours following repeat administration of the extended-release formulation. ","Description":"Topiramate (brand name Topamax) is an anticonvulsant drug produced by Ortho-McNeil Neurologics, a division of Johnson \u0026 Johnson. It is used to treat epilepsy in both children and adults. In children it is also indicated for treatment of Lennox-Gastaut syndrome (a disorder that causes seizures and developmental delays). It is also Food and Drug Administration (FDA) approved for, and now most frequently prescribed for, the prevention of migraines. [Wikipedia]. A combination product containing phentermine and topiramate extended-release called QSYMIA® is indicated for the management of obesity. On August 2013, an extended released formulation, marketed as Trokendi XR has been approved for the management of partial onset, tonic-clonic, and Lennox-Gastaut Syndrome seizures. ","Classification":{"Description":"This compound belongs to the dioxolopyrans. These are compounds containing a dioxolopyran moiety, which consistts of a dioxole ring fused to a pyran ring.","DirectParent":"Dioxolopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dioxolopyrans","SubClass":""},"Indication":"Used for the treatment and control of partial seizures and severe tonic-clonic (grand mal) seizures and also for the prevention of migraine headaches. In children it is also used for treatment of Lennox-Gastaut syndrome. Qsymia® is indicated for the treatment and management of obesity.","Toxicity":"Symptoms of overdose include abdominal pain, agitation, blurred vision, convulsions, depression, dizziness, double vision, drowsiness, impaired coordination, impaired mental activity, low blood pressure, reduced consciousness, severe diarrhea, sluggishness, and speech problems.","MechanismOfAction":"The precise mechanism of action of topiramate is not known. However, studies have shown that topiramate blocks the action potentials elicited repetitively by a sustained depolarization of the neurons in a time-dependent manner, suggesting a state-dependent sodium channel blocking action. Topiramate also augments the activity of the neurotransmitter gamma-aminobutyrate (GABA) at some subtypes of the GABA\u003csub\u003eA\u003c/sub\u003e receptor (controls an integral chloride channel), indicating a possible mechanism through potentiation of the activity of GABA. Topiramate also demonstrates antagonism of the AMPA/kainate subtype of the glutamate excitatory amino acid receptor. It also inhibits carbonic anhydrase (particularly isozymes II and IV), but this action is weak and unlikely to be related to its anticonvulsant actions.","Pharmacodynamics":"Topiramate is an anticonvulsant indicated in the treatment of epilepsy and migraine. Topiramate enhances GABA-activated chloride channels. In addition, topiramate inhibits excitatory neurotransmission, through actions on kainate and AMPA receptors. There is evidence that topiramate has a specific effect on GluR5 kainate receptors. It is also an inhibitor of carbonic anhydrase, particular subtypes II and IV, but this action is weak and unlikely to be related to its anticonvulsant actions, but may account for the bad taste and the development of renal stones seen during treatment. Its possible effect as a mood stabilizer seems to occur before anticonvulsant qualities at lower dosages. Topiramate inhibits maximal electroshock and pentylenetetrazol-induced seizures as well as partial and secundarily generalized tonic-clonic seizures in the kindling model, findings predective of a broad spectrum of antiseizure activities clinically.","Absorption":"Rapid with pleak plasma concentrations occurring after 2 hours and a bioavailability of 80%. The pharmacokinetic profile of the extended release formulation is non linear at 25 mg due to binding of topiramate to carbonic anhydrase in red blood cells. The peak plasma concentration was 24 hours after a single 200 mg oral dose of the extended release formulation. It is also bioequivalent to immediate-release tablet that has been administered twice-daily. Fluctuation of topiramate plasma concentrations at steady-state for Trokendi XR™ administered once-daily was approximately 26% and 42% in healthy subjects and in epileptic patients, respectively, compared to approximately 40% and 51%, respectively, for immediate-release topiramate. When topiramate is given to elderly and young adults, the maximum plasma concentration was achieved in 1 to 2 hours. ","Interactions":[{"ID":"DB00819"},{"ID":"DB01194"},{"ID":"DB00564"},{"ID":"DB00880"},{"ID":"DB00977"},{"ID":"DB01320"},{"ID":"DB01356"},{"ID":"DB04835"},{"ID":"DB01357"},{"ID":"DB00252"},{"ID":"DB00684"},{"ID":"DB00427"},{"ID":"DB08867"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00274","Name":"Cefmetazole","DrugType":"small molecule","HalfLife":"1.50 \u0026plusmn;0.14 hours","Description":"A semisynthetic cephamycin antibiotic with a broad spectrum of activity against both gram-positive and gram-negative microorganisms. It has a high rate of efficacy in many types of infection and to date no severe side effects have been noted. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of infections caused by susceptible organisms.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is 3,204 mg/kg. With other b-lactam antibiotics, adverse effects following overdosage have included nausea, vomiting, epigastric distress, diarrhea, and convulsions.","MechanismOfAction":"The bactericidal activity of cefmetazole results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs).","Pharmacodynamics":"Cefmetazole is a second-generation cephalosporin. The cephalosporins are bactericidal drugs with both gram-positive and gram-negative activity. They inhibit bacterial cell wall synthesis in a way similar to the penicillins. Cefmetazole is more active than 1st-generation cephalosporins against indole-positive \u003ci\u003eProteus\u003c/i\u003e, \u003ci\u003eSerratia\u003c/i\u003e, anaerobic gram-negative bacilli (including \u003ci\u003eB. fragilis\u003c/i\u003e), and some \u003ci\u003eE. coli\u003c/i\u003e, \u003ci\u003eKlebsiella\u003c/i\u003e, and \u003ci\u003eP. mirabilis\u003c/i\u003e, but is less active than cefoxitin or cefotetan against most gram-negative bacilli.","Absorption":"Bioavailability is approximately 100% following intramuscular injection.","Interactions":[{"ID":"DB01032"}],"Salts":[{"ID":"DBSALT000391","Name":"Cefmetazole sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00275","Name":"Olmesartan","DrugType":"small molecule","HalfLife":"The half life is approximately 13 hours.","Description":"Olmesartan is an antihypertensive agent, which belongs to the class of medications called angiotensin II receptor blockers. It is indicated for the treatment of high blood pressure and is marketed under the name Olmetec®. The FDA label includes a black-box warning of injury and death to the fetus, so women of child-bearing age need to be warned and take the necessary precautions. Olmesartan is also contraindicated in diabetes mellitus patients taking aliskiren.\r\n","Classification":{"Description":"This compound belongs to the biphenyltetrazoles and derivatives. These are organic compounds containing a biphenyl attached to a tetrazole. A carbon atom of the biphenyl moiety is boned to a carbon or the nitrogen atom of the tetrazole moiety.","DirectParent":"Biphenyltetrazoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"For the treatment of hypertension.","Toxicity":"The main symptoms of overdose include low blood pressure and fast heartbeat. ","MechanismOfAction":"Olmesartan is an ARB that selectively inhibits the binding of angiotensin II to AT1, which is found in many tissues such as vascular smooth muscle and the adrenal glands. This effectively inhibits the AT1-mediated vasoconstrictive and aldosterone-secreting effects of angiotensin II and results in a decrease in vascular resistance and blood pressure. Olmesartan is selective for AT1 and has a 12,500 times greater affinity for AT1 than the AT2 receptor. Also unlike the well-known ARB losartan, olmesartan does not have an active metabolite or possess uricosuric effects.","Pharmacodynamics":"Olmesartan is a specific angiotensin II type 1 (AT1) receptor antagonist, which blocks the blood pressure increasing effects of angiotensin II via the renin-angiotensin-aldosterone system (RAAS). During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from granular cells of the juxtaglomerular apparatus in the kidneys. Renin cleaves circulating angiotensinogen to angiotensin I, which is cleaved by angiotensin converting enzyme (ACE) to angiotensin II. Angiotensin II increases blood pressure by increasing total peripheral resistance, increasing sodium and water reabsorption in the kidneys via aldosterone secretion, and altering cardiovascular structure. Angiotensin II binds to two receptors: AT1 and AT2. AT1 is a G-protein coupled receptor (GPCR) that mediates the vasoconstrictive and aldosterone-secreting effects of angiotensin II. Angiotensin receptor blockers (ARBs) are non-peptide competitive inhibitors of AT1. ARBs block the ability of angiotensin II to stimulate pressor and cell proliferative effects. Unlike ACE inhibitors, ARBs do not affect bradykinin-induced vasodilation. The overall effect of ARBs is a decrease in blood pressure. \r\n","Absorption":"Bioavailability is about 26%. Food does not affect the bioavailability of olmesartan.","Interactions":[{"ID":"DB01395"},{"ID":"DB00684"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00163","Drugs":["DB00275","DB01593"]}]},{"ID":"DB00276","Name":"Amsacrine","DrugType":"small molecule","HalfLife":"8-9 hours","Description":"Aminoacridine derivative that is a potent intercalating antineoplastic agent. It is effective in the treatment of acute leukemias and malignant lymphomas, but has poor activity in the treatment of solid tumors. It is frequently used in combination with other antineoplastic agents in chemotherapy protocols. It produces consistent but acceptable myelosuppression and cardiotoxic effects. [PubChem]","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"For treatment of acute myeloid leukaemia.","Toxicity":"Symptoms of overdose include nausea and vomiting, diarrhea, some cardiotoxicity (rarely).","MechanismOfAction":"Amsacrine binds to DNA through intercalation and external binding. It has a base specificity for A-T pairs. Rapidly dividing cells are two to four times more sensitive to amsacrine than are resting cells. Amsacrine appears to cleave DNA by inducing double stranded breaks. Amsacrine also targets and inhibits topoisomerase II. Cytotoxicity is greatest during the S phase of the cell cycle when topoisomerase levels are at a maximum.","Pharmacodynamics":"Amsacrine is an aminoacridine derivative that is a potent intercalating antineoplastic agent. It is effective in the treatment of acute leukemias and malignant lymphomas, but has poor activity in the treatment of solid tumors. It is frequently used in combination with other antineoplastic agents in chemotherapy protocols. It produces consistent but acceptable myelosuppression and cardiotoxic effects.","Absorption":"Poorly absorbed","Interactions":[{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00277","Name":"Theophylline","DrugType":"small molecule","HalfLife":"8 hours","Description":"A methylxanthine derivative from tea with diuretic, smooth muscle relaxant, bronchial dilation, cardiac and central nervous system stimulant activities. Mechanistically, theophylline acts as a phosphodiesterase inhibitor, adenosine receptor blocker, and histone deacetylase activator. Theophylline is marketed under several brand names such as Uniphyl and Theochron, and it is indicated mainly for asthma, bronchospasm, and COPD.","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For the treatment of the symptoms and reversible airflow obstruction associated with chronic asthma and other chronic lung diseases, such as emphysema and chronic bronchitis.","Toxicity":"Symptoms of overdose include seizures, arrhythmias, and GI effects.","MechanismOfAction":"Theophylline relaxes the smooth muscle of the bronchial airways and pulmonary blood vessels and reduces airway responsiveness to histamine, methacholine, adenosine, and allergen. Theophylline competitively inhibits type III and type IV phosphodiesterase (PDE), the enzyme responsible for breaking down cyclic AMP in smooth muscle cells, possibly resulting in bronchodilation. Theophylline also binds to the adenosine A2B receptor and blocks adenosine mediated bronchoconstriction. In inflammatory states, theophylline activates histone deacetylase to prevent transcription of inflammatory genes that require the acetylation of histones for transcription to begin.","Pharmacodynamics":"Theophylline, an xanthine derivative chemically similar to caffeine and theobromine, is used to treat asthma and bronchospasm. Theophylline has two distinct actions in the airways of patients with reversible (asthmatic) obstruction; smooth muscle relaxation (i.e., bronchodilation) and suppression of the response of the airways to stimuli (i.e., non-bronchodilator prophylactic effects).","Absorption":"Theophylline is rapidly and completely absorbed after oral administration in solution or immediate-release solid oral dosage form.","Interactions":[{"ID":"DB00787"},{"ID":"DB00640"},{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00732"},{"ID":"DB01558"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB00521"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB01211"},{"ID":"DB01341"},{"ID":"DB00822"},{"ID":"DB01135"},{"ID":"DB00467"},{"ID":"DB00199"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB04854"},{"ID":"DB00176"},{"ID":"DB01320"},{"ID":"DB00365"},{"ID":"DB01159"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00034"},{"ID":"DB00105"},{"ID":"DB00011"},{"ID":"DB00951"},{"ID":"DB01321"},{"ID":"DB01356"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB01336"},{"ID":"DB00379"},{"ID":"DB01226"},{"ID":"DB01203"},{"ID":"DB01059"},{"ID":"DB01337"},{"ID":"DB00487"},{"ID":"DB00008"},{"ID":"DB00022"},{"ID":"DB01359"},{"ID":"DB00312"},{"ID":"DB00806"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00960"},{"ID":"DB00794"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB01346"},{"ID":"DB06213"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00533"},{"ID":"DB00418"},{"ID":"DB00489"},{"ID":"DB01323"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00976"},{"ID":"DB00231"},{"ID":"DB00857"},{"ID":"DB00730"},{"ID":"DB00208"},{"ID":"DB00373"},{"ID":"DB00932"},{"ID":"DB01361"},{"ID":"DB01199"},{"ID":"DB01339"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00549"},{"ID":"DB00744"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00028","Drugs":["DB00201","DB00277","DB01412"]}]},{"ID":"DB00278","Name":"Argatroban","DrugType":"small molecule","HalfLife":"39 and 51 minutes","Description":"Argatroban is a direct, selective thrombin inhibitor. The American College of Cardiologists (ACC) recommend using bivalirudin or argatroban in patients who have had, or at risk for, heparin induced thrombocytopenia (HIT) and are undergoing percutaneous coronary intervention. Argatroban is a non-heparin anticoagulant shown to both normalize platelet count in patients with HIT and prevent the formation of thrombi. Parental anticoagulants must be stopped and a baseline activated partial thromboplastin time must be obtained prior to administering argatroban.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Argatroban is indicated for prevention and treatment of thrombosis caused by heparin induced thrombocytopenia (HIT). It is also indicated for use in patients with, or at risk for, HIT who are undergoing percutaneous coronary intervention.","Toxicity":"Excessive bleeding","MechanismOfAction":"Argatroban exerts its anticoagulant effects by inhibiting thrombin-catalyzed or -induced reactions, including fibrin formation; activation of coagulation factors V, VIII, and XIII; protein C; and platelet aggregation.","Pharmacodynamics":"Argatroban is a synthetic direct thrombin inhibitor derived from L-arginine indicated as an anticoagulant for prophylaxis or treatment of thrombosis in patients with heparin-induced thrombocytopenia. Argatroban is a direct thrombin inhibitor that reversibly binds to the thrombin active site. Argatroban does not require the co-factor antithrombin III for antithrombotic activity. Argatroban exerts its anticoagulant effects by inhibiting thrombin-catalyzed or -induced reactions, including fibrin formation; activation of coagulation factors V, VIII, and XIII; protein C; and platelet aggregation. Argatroban is highly selective for thrombin with an inhibitory constant (K\u003csub\u003ei\u003c/sub\u003e) of 0.04 \u0026micro;M. At therapeutic concentrations, Argatroban has little or no effect on related serine proteases (trypsin, factor Xa, plasmin, and kallikrein).\r\nArgatroban is capable of inhibiting the action of both free and clot-associated thrombin.","Absorption":"Bioavailability is 100% (intravenous).","Interactions":[{"ID":"DB01381"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00276","Drugs":["DB00278","DB01373"]}]},{"ID":"DB00279","Name":"Liothyronine","DrugType":"small molecule","HalfLife":"2.5 days","Description":"The L-triiodothyronine (T3, liothyronine) thyroid hormone is normally synthesized and secreted by the thyroid gland in much smaller quantities than L-tetraiodothyronine (T4, levothyroxine, L-thyroxine). Most T3 is derived from peripheral monodeiodination of T4 at the 5 position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"Used as replacement or supplemental therapy in patients with hypothyroidism of any etiology, except transient hypothyrodism during the recovery phase of subacute thyroiditis.","Toxicity":"","MechanismOfAction":"The hormones, T\u003csub\u003e4\u003c/sub\u003e and T\u003csub\u003e3\u003c/sub\u003e, are tyrosine-based hormones produced by the thyroid gland. Iodine is an important component in their synthesis. The major form of thyroid hormone in the blood is thyroxine (T4). This is converted to the more active liothyronine form by deiodinases in peripheral tissues. Liothyronine acts on the body to increase the basal metabolic rate, affect protein synthesis and increase the body's sensitivity to catecholamines (such as adrenaline). The thyroid hormones are essential to proper development and differentiation of all cells of the human body. To various extents T\u003csub\u003e4\u003c/sub\u003e and T\u003csub\u003e3\u003c/sub\u003e regulate protein, fat and carbohydrate metabolism. Their most pronounced effect is on how human cells use energetic compounds. The thyroid hormone derivatives bind to the thyroid hormone receptors initially to initiate their downstream effects.","Pharmacodynamics":"Thyroid hormone drugs are natural or synthetic preparations containing T\u003csub\u003e4\u003c/sub\u003e or T\u003csub\u003e3\u003c/sub\u003e or both. T\u003csub\u003e4\u003c/sub\u003e and T\u003csub\u003e3\u003c/sub\u003e are produced in the human thyroid gland by the iodination and coupling of the amino acid tyrosine. Liothyronine (T\u003csub\u003e3\u003c/sub\u003e) contains three atoms of iodine and is formed by the coupling of one molecule of diiodotyrosine (DIT) with one molecule of monoiodotyrosine (MIT). These hormones enhance oxygen consumption by most tissues of the body and increase the basal metabolic rate and the metabolism of carbohydrates, lipids and proteins. Thus, they exert a profound influence on every organ system in the body and are of particular importance in the development of the central nervous system.","Absorption":"95% in 4 hours","Interactions":[{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB01432"},{"ID":"DB00375"},{"ID":"DB00390"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000321","Name":"Liothyronine Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00280","Name":"Disopyramide","DrugType":"small molecule","HalfLife":"6.7 hours (range 4-10 hours)","Description":"A class I anti-arrhythmic agent (one that interferes directly with the depolarization of the cardiac membrane and thus serves as a membrane-stabilizing agent) with a depressant action on the heart similar to that of guanidine. It also possesses some anticholinergic and local anesthetic properties. [PubChem]","Classification":{"Description":"This compound belongs to the pheniramines. These are compounds containing a pheniramine moiety, which is structurally characterized by the presence of a 2-benzylpyridine linked to an dimethyl(propyl)amine to form a dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine skeleton.","DirectParent":"Pheniramines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pheniramines"},"Indication":"For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, ventricular pre-excitation and cardiac dysrhythmias. It is a Class Ia antiarrhythmic drug.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=580 mg/kg in rats","MechanismOfAction":"Disopyramide is a Type 1A antiarrhythmic drug (ie, similar to procainamide and quinidine). It inhibits the fast sodium channels. In animal studies Disopyramide decreases the rate of diastolic depolarization (phase 4) in cells with augmented automaticity, decreases the upstroke velocity (phase 0) and increases the action potential duration of normal cardiac cells, decreases the disparity in refractoriness between infarcted and adjacent normally perfused myocardium, and has no effect on alpha- or beta-adrenergic receptors.","Pharmacodynamics":"Disopyramide is an antiarrhythmic drug indicated for the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia that are life-threatening. In man, Disopyramide at therapeutic plasma levels shortens the sinus node recovery time, lengthens the effective refractory period of the atrium, and has a minimal effect on the effective refractory period of the AV node. Little effect has been shown on AV-nodal and His-Purkinje conduction times or QRS duration. However, prolongation of conduction in accessory pathways occurs.","Absorption":"Nearly complete","Interactions":[{"ID":"DB01193"},{"ID":"DB06697"},{"ID":"DB00335"},{"ID":"DB00207"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00237"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB08865"},{"ID":"DB00843"},{"ID":"DB00199"},{"ID":"DB00187"},{"ID":"DB00754"},{"ID":"DB06414"},{"ID":"DB08868"},{"ID":"DB01320"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB00046"},{"ID":"DB00598"},{"ID":"DB01137"},{"ID":"DB00532"},{"ID":"DB00933"},{"ID":"DB00264"},{"ID":"DB00218"},{"ID":"DB01203"},{"ID":"DB00338"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB01045"},{"ID":"DB00989"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB00342"},{"ID":"DB00599"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00373"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000899","Name":"Disopyramide phosphate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00325","Drugs":["DB00280","DB01345","DB01373"]}]},{"ID":"DB00281","Name":"Lidocaine","DrugType":"small molecule","HalfLife":"109 minutes","Description":"A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of procaine but its duration of action is shorter than that of bupivacaine or prilocaine. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For production of local or regional anesthesia by infiltration techniques such as percutaneous injection and intravenous regional anesthesia by peripheral nerve block techniques such as brachial plexus and intercostal and by central neural techniques such as lumbar and caudal epidural blocks.","Toxicity":"The oral LD 50 of lidocaine HCl in non-fasted female rats is 459 (346-773) mg/kg (as the salt) and 214 (159-324) mg/kg (as the salt) in fasted female rats. Symptoms of overdose include convulsions, hypoxia, acidosis, bradycardia, arrhythmias and cardiac arrest.","MechanismOfAction":"Lidocaine stabilizes the neuronal membrane by inhibiting the ionic fluxes required for the initiation and conduction of impulses thereby effecting local anesthetic action. Lidocaine alters signal conduction in neurons by blocking the fast voltage gated sodium (Na+) channels in the neuronal cell membrane that are responsible for signal propagation. With sufficient blockage the membrane of the postsynaptic neuron will not depolarize and will thus fail to transmit an action potential. This creates the anaesthetic effect by not merely preventing pain signals from propagating to the brain but by aborting their birth in the first place.","Pharmacodynamics":"Lidocaine is an anesthetic agent indicated for production of local or regional anesthesia and in the treatment of ventricular tachycardia occurring during cardiac manipulation, such as surgery or catheterization, or which may occur during acute myocardial infarction, digitalis toxicity, or other cardiac diseases. The mode of action of the antiarrhythmic effect of Lidocaine appears to be similar to that of procaine, procainamide and quinidine. Ventricular excitability is depressed and the stimulation threshold of the ventricle is increased during diastole. The sinoatrial node is, however, unaffected. In contrast to the latter 3 drugs, Lidocaine in therapeutic doses does not produce a significant decrease in arterial pressure or in cardiac contractile force. In larger doses, lidocaine may produce circulatory depression, but the magnitude of the change is less than that found with comparable doses of procainamide.","Absorption":"Information derived from diverse formulations, concentrations and usages reveals that lidocaine is completely absorbed following parenteral administration, its rate of absorption depending, for example, upon various factors such as the site of administration and the presence or absence of a vasoconstrictor agent.","Interactions":[{"ID":"DB01193"},{"ID":"DB01072"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00501"},{"ID":"DB01264"},{"ID":"DB00187"},{"ID":"DB06414"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01369"},{"ID":"DB00382"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB01623"},{"ID":"DB00373"},{"ID":"DB00697"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000900","Name":"Lidocaine hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00620","Drugs":["DB00281"]},{"ID":"SMP00328","Drugs":["DB00281","DB01345","DB01373"]},{"ID":"SMP00398","Drugs":["DB00281","DB00368","DB00988","DB01345","DB01373"]}]},{"ID":"DB00282","Name":"Pamidronate","DrugType":"small molecule","HalfLife":"The mean \u0026plusmn; SD elimination half-life is 28 \u0026plusmn; 7 hours","Description":"Pamidronic acid (INN) or pamidronate disodium (USAN), marketed as pamidronate disodium pentahydrate under the brand name Aredia, is a bisphosphonate. [Wikipedia]","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"For the treatment of moderate or severe hypercalcemia associated with malignancy","Toxicity":"Side effects include an allergic reaction, kidney problems, seizures, low levels of calcium, magnesium, or phosphorus in the blood","MechanismOfAction":"The mechanism of action of pamidronate is inhibition of bone resorption. Pamidronate adsorbs to calcium phosphate (hydroxyapatite) crystals in bone and may directly block dissolution of this mineral component of bone. In vitro studies also suggest that inhibition of osteoclast activity contributes to inhibition of bone resorption. Pamidronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.","Pharmacodynamics":"Pamidronate is in a class of drugs called bisphosphonates. Pamidronate reduces breakdown of the bones. Pamidronate is used in the treatment of Paget's disease of bone; to reduce high levels of calcium in the blood associated with malignancy (cancer); and to reduce the breakdown of bone due to metastases of breast cancer or multiple myeloma.","Absorption":"Plasma concentration rises rapidly upon IV administration. ","Interactions":null,"Salts":[{"ID":"DBSALT000836","Name":"Pamidronate Disodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00117","Drugs":["DB00169","DB00282","DB01592","DB02552","DB04540"]}]},{"ID":"DB00283","Name":"Clemastine","DrugType":"small molecule","HalfLife":"","Description":"An ethanolamine-derivative, first generation histamine H1 antagonist used in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the relief of symptoms associated with allergic rhinitis such as sneezing, rhinorrhea, pruritus and acrimation. Also for the management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Used as self-medication for temporary relief of symptoms associated with the common cold.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat and mouse is 3550 mg/kg and 730 mg/kg, respectively. Antihistamine overdosage reactions may vary from central nervous system depression to stimulation. In children, stimulation predominates initially in a syndrome which may include excitement, hallucinations, ataxia, incoordination, muscle twitching, athetosis, hyperthermia, cyanosis convulsions, tremors, and hyperreflexia followed by postictal depression and cardio-respiratory arrest. Convulsions in children may be preceded by mild depression. Dry mouth, fixed dilated pupils, flushing of the face, and fever are common. In adults, CNS depression, ranging from drowsiness to coma, is more common.","MechanismOfAction":"Clemastine is a selective histamine H1 antagonist and binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"Clemastine is an antihistamine with anticholinergic (drying) and sedative side effects. Antihistamines competitively antagonize various physiological effects of histamine including increased capillary permeability and dilatation, the formation of edema, the \"flare\" and \"itch\" response, and gastrointestinal and respiratory smooth muscle constriction. Within the vascular tree, H1- receptor antagonists inhibit both the vasoconstrictor and vasodilator effects of histamine. Depending on the dose, H1- receptor antagonists can produce CNS stimulation or depression. Most antihistamines exhibit central and/or peripheral anticholinergic activity. Antihistamines act by competitively blocking H1- receptor sites. Antihistamines do not pharmacologically antagonize or chemically inactivate histamine, nor do they prevent the release of histamine.","Absorption":"Rapidly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000901","Name":"Clemastine fumarate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00284","Name":"Acarbose","DrugType":"small molecule","HalfLife":"Healthy volunteers = 2 hours","Description":"An inhibitor of alpha glucosidase that retards the digestion and absorption of carbohydrates in the small intestine and hence reduces the increase in blood-glucose concentrations after a carbohydrate load. It is given orally to non-insulin dependent diabetes mellitus patients where diet modification or oral hypoglycemic agents do not control their condition. (From Martindale The Extra Pharmacopoeia, 31st ed)","Classification":{"Description":"This compound belongs to the tetrahexoses. These are tetrasaccharides containing four hexose carbohydrates.","DirectParent":"Tetrahexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Tetrasaccharides"},"Indication":"For treatment and management of diabetes type II (used in combination therapy as a second or third line agent)","Toxicity":"Gastrointestinal symptoms are the most common reactions to acarbose. ","MechanismOfAction":"Acarbose reversibly bind to pancreatic alpha-amylase and membrane-bound intestinal alpha-glucoside hydrolases. These enzymes inhibit hydrolysis of complex starches to oligosaccharides in the lumen of the small intestine and hydrolysis of oligosaccharides, trisaccharides, and disaccharides to glucose and other monosaccharides in the brush border of the small intestine.","Pharmacodynamics":"Used to reduce blood gluose in patients with type 2 diabetes. Acarbose is a complex oligosaccharide that delays the digestion of ingested carbohydrates, thereby resulting in a smaller rise in blood glucose concentration following meals. Acarbose binds to and inhibits alpha amylase and alpha-gluocside hydrolases. In diabetic patients, this enzyme inhibition results in a delayed glucose absorption and a lowering of postprandial hyperglycemia.","Absorption":"Extremely low bioavailability. Less than 2% of an oral dose of acarbose was absorbed as active drug. Peak plasma concentrations of the active drug were achieved 1 hour after dosing. Drug accumulation does not occur with multiple doses. ","Interactions":[{"ID":"DB00390"},{"ID":"DB00052"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00285","Name":"Venlafaxine","DrugType":"small molecule","HalfLife":"5 hours","Description":"Venlafaxine (Effexor) is an antidepressant of the serotonin-norepinephrine reuptake inhibitor (SNRI) class first introduced by Wyeth in 1993. It is prescribed for the treatment of clinical depression and anxiety disorders. Due to the pronounced side effects and suspicions that venlafaxine may significantly increase the risk of suicide it is not recommended as a first line treatment of depression. However, it is often effective for depression not responding to SSRIs. Venlafaxine was the sixth most widely-used antidepressant based on the amount of retail prescriptions in the US (17.1 million) in 2006. [Wikipedia]","Classification":{"Description":"This compound belongs to the tyrosols and derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.","DirectParent":"Tyrosols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the management of major depressive disorder (MDD), generalized anxiety disorder (GAD), social anxiety disorder (social phobia), panic disorder with or without agoraphobia, vasomotor symptoms in women with breast cancer and in postmenopausal women, and neuropathic pain.","Toxicity":"Most patients overdosing with venlafaxine develop only mild symptoms. However, severe toxicity is reported with the most common symptoms being CNS depression, serotonin toxicity, seizure, or cardiac conduction abnormalities. Venlafaxine's toxicity appears to be higher than other SSRIs, with a fatal toxic dose closer to that of the tricyclic antidepressants than the SSRIs. Doses of 900 mg or more are likely to cause moderate toxicity. Deaths have been reported following large doses.","MechanismOfAction":"The exact mechanism of action of venlafaxine is unknown, but appears to be associated with the its potentiation of neurotrasmitter activity in the CNS. Venlafaxine and its active metabolite, O-desmethylvenlafaxine (ODV), inhibit the reuptake of both serotonin and norepinephrine with a potency greater for the 5-HT than for the NE reuptake process. Both venlafaxine and the ODV metabolite have weak inhibitory effects on the reuptake of dopamine but, unlike the tricyclics and similar to SSRIs, they are not active at histaminergic, muscarinic, or alpha(1)-adrenergic receptors.","Pharmacodynamics":"Venlafaxine potentiates the neurotransmitter activity in the central nervous system. Furthermore, venlafaxine and its metabolite, O-desmethylvenlafaxine (ODV) potently inhibit the reuptake of serotonin and norepinephrine and weakly inhibit dopamine reuptake. Both molecules do not bind to muscarinic, histaminergic, or alpha-1 adrenergic receptors. Pharmacologic activity at these receptors is hypothesized to be associated with the various anticholinergic, sedative, and cardiovascular effects seen with other psychotropic drugs. Both also do not have any monoamine oxidase (MAO) inhibitory activity. ","Absorption":"Venlafaxine is well absorbed. Food does not effect the absorption of venlafaxine or its subsequent metabolism into ODV. Bioavailability is 45% following oral administration.\r\nTime to steady state = 3 days. ","Interactions":[{"ID":"DB00918"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB01200"},{"ID":"DB00490"},{"ID":"DB00248"},{"ID":"DB00477"},{"ID":"DB01012"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00907"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01191"},{"ID":"DB00514"},{"ID":"DB00937"},{"ID":"DB00320"},{"ID":"DB00449"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00216"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB00574"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB00998"},{"ID":"DB00614"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB01247"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00601"},{"ID":"DB01356"},{"ID":"DB01601"},{"ID":"DB00934"},{"ID":"DB00579"},{"ID":"DB00353"},{"ID":"DB01233"},{"ID":"DB01110"},{"ID":"DB04896"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB00368"},{"ID":"DB00540"},{"ID":"DB00715"},{"ID":"DB01186"},{"ID":"DB00454"},{"ID":"DB00780"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB01263"},{"ID":"DB01168"},{"ID":"DB01069"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB00852"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB01367"},{"ID":"DB00503"},{"ID":"DB00953"},{"ID":"DB00118"},{"ID":"DB01232"},{"ID":"DB01037"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000186","Name":"Venlafaxine Hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00286","Name":"Conjugated Estrogens","DrugType":"small molecule","HalfLife":"7.4 hours","Description":"Conjugated estrogens, a mixture of the water-soluble salts of sulfate esters from estrone, equilin, 17 α-dihydroequilin, and other related steroids, may be derived from pregnant equine urine or yam and soy plants. Estrogens are important in the development and maintenance of the female reproductive system and secondary sex characteristics.","Classification":{"Description":"This compound belongs to the sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.","DirectParent":"Sulfated Steroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Sulfated Steroids"},"Indication":"For the treatment of moderate to severe vasomotor symptoms associated with the menopause, atrophic vaginitis, osteoporosis, hypoestrogenism due to hypogonadism, castration, primary ovarian failure, breast cancer (for palliation only), and Advanced androgen-dependent carcinoma of the prostate (for palliation only)","Toxicity":"Nausea and vomiting","MechanismOfAction":"Estrogens enter the cells of responsive tissues (e.g., female organs, breasts, hypothalamus, pituitary) where they interact with a protein receptor, subsequently increasing the rate of synthesis of DNA, RNA, and some proteins. Estrogens decrease the secretion of gonadotropin-releasing hormone by the hypothalamus, reducing the secretion of follicle-stimulating hormone (FSH) and luteinizing hormone (LH) from the pituitary.","Pharmacodynamics":"Conjugated estrogens, a mixture of the water soluble salts of sulfate esters from estrone, equilin, 17 \u0026alpha;-dihydroequilin, and other related steroids, may be derived from pregnant equine urine or yam and soy plants. Estrogens are important in the development and maintenance of the female reproductive system and secondary sex characteristics. They promote growth and development of the vagina, uterus, and fallopian tubes, and enlargement of the breasts. Indirectly, they contribute to the shaping of the skeleton, maintenance of tone and elasticity of urogenital structures, changes in the epiphyses of the long bones that allow for the pubertal growth spurt and its termination, growth of axillary and pubic hair, and pigmentation of the nipples and genitals. Decline of estrogenic activity at the end of the menstrual cycle can bring on menstruation, although the cessation of progesterone secretion is the most important factor in the mature ovulatory cycle. However, in the preovulatory or nonovulatory cycle, estrogen is the primary determinant in the onset of menstruation. Estrogens also affect the release of pituitary gonadotropins. The pharmacologic effects of conjugated estrogens are similar to those of endogenous estrogens.","Absorption":"Well absorbed","Interactions":[{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00481"},{"ID":"DB00418"},{"ID":"DB00306"},{"ID":"DB00932"},{"ID":"DB01586"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00287","Name":"Travoprost","DrugType":"small molecule","HalfLife":"Terminal elimination half-life of travoprost free acid is 45 minutes.","Description":"Travoprost ophthalmic solution is a topical medication used for controlling the progression of glaucoma or ocular hypertension, by reducing intraocular pressure. It is a synthetic prostaglandin F2alpha analogue. [Wikipedia]","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"Ophthalmic solution used for the reduction of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension who are intolerant of other intraocular pressure lowering medications or insufficiently responsive (failed to achieve target IOP determined after multiple measurements over time) to another intraocular pressure lowering medication.","Toxicity":"Symptoms of overexposure include irritation to the skin, eyes, nose, throat, and respiratory tract.","MechanismOfAction":"Travoprost free acid is a selective FP prostanoid receptor agonist and is believed to reduce intraocular pressure by increasing the drainage of aqueous humor, which is done primarily through increased uveoscleral outflow and to a lesser extent, trabecular outflow facility.","Pharmacodynamics":"Travoprost, an isopropyl ester prodrug, is a synthetic prostaglandin F2 alpha analogue that is rapidly hydrolyzed by esterases in the cornea to its biologically active free acid. The travoporst free acid is potent and highly selective for the FP prostanoid receptor. ","Absorption":"Systemically absorbed when administered to the eye.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00288","Name":"Amcinonide","DrugType":"small molecule","HalfLife":"","Description":"Amcinonide is a corticosteroid. [Wikipedia]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses.","Toxicity":"Results from acute toxicity studies do not indicate that any risk of acute intoxication is to be expected following a single dermal application of an overdose (application over a large area under conditions favorable to absorption) or inadvertent oral ingestion.","MechanismOfAction":"The mechanism of the anti-inflammatory activity of the topical steroids, in general, is unclear. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor, arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. Amcinonide has affinity for the glucocorticoid receptor. It has weak affinity for the progesterone receptor, and virtually no affinity for the mineralocorticoid, estrogen, or androgen receptors.","Pharmacodynamics":"Amcinonide is a topical corticosteroid. The topical corticosteroids constitute a class of primarily synthetic steroids used as anti-inflammatory and antipruritic agents. Amcinonide reduces or inhibits the actions of chemicals in the body that cause inflammation, redness, and swelling. The mechanism of anti-inflammatory activity of the topical corticosteroids is unclear. Various laboratory methods, including vasoconstrictor assays, are used to compare and predict potencies and/or clinical efficacies of the topical corticosteroids. There is some evidence to suggest that a recognizable correlation exists between vasoconstrictor potency and therapeutic efficacy in man. When in an ointment form, amcinonide also helps the skin maintain moisture.","Absorption":"Topical corticosteroids can be absorbed from normal intact skin. Inflammation and/or other disease processes in the skin increase percutaneous absorption.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00289","Name":"Atomoxetine","DrugType":"small molecule","HalfLife":"5 hours","Description":"Atomoxetine is the first non-stimulant drug approved for the treatment of attention-deficit hyperactivity disorder (ADHD). It is sold in the form of the hydrochloride salt of atomoxetine. This chemical is manufactured and marketed under the brand name Strattera; by Eli Lilly and Company and as a generic Attentin by Torrent Pharmaceuticals. There is currently no generic available within the United States due to patent restrictions. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"For the treatment of Attention-Deficit/Hyperactivity Disorder (ADHD) alone or in combination with behavioral treatment, as an adjunct to psychological, educational, social, and other remedial measures.","Toxicity":"The most commonly reported symptoms accompanying acute and chronic overdoses are somnolence, agitation, hyperactivity, abnormal behavior, and gastrointestinal symptoms.","MechanismOfAction":"The precise mechanism by which atomoxetine produces its therapeutic effects in Attention-Deficit/Hyperactivity Disorder (ADHD) is unknown, but is thought to be related to selective inhibition of the pre-synaptic norepinephrine transporter, as determined through in-vitro studies. Atomoxetine appears to have minimal affinity for other noradrenergic receptors or for other neurotransmitter transporters or receptors.","Pharmacodynamics":"Atomoxetine is the first non-stimulant drug approved for the treatment of attention-deficit hyperactivity disorder (ADHD). Atomoxetine is classified as a norepinephrine reuptake inhibitor, and is approved for use in children, adolescents, and adults. However, its efficacy has not been studied in children under six years old. Its advantage over stimulants for the treatment of ADHD is that it has less abuse potential than stimulants, is not scheduled as a controlled substance and has proven in clinical trials to offer 24 hour coverage of symptoms associated with ADHD in adults and children.","Absorption":"Atomoxetine is rapidly absorbed after oral administration, with absolute bioavailability of about 63% in EMs and 94% in PMs. Drugs that elevate gastric pH (magnesium hydroxide/aluminum hydroxide, omeprazole) have no effect on atomoxetine bioavailability. Absorption is minimally affected by food.","Interactions":[{"ID":"DB01118"},{"ID":"DB00608"},{"ID":"DB00907"},{"ID":"DB00647"},{"ID":"DB01075"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00502"},{"ID":"DB01247"},{"ID":"DB01206"},{"ID":"DB01388"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB01103"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00468"},{"ID":"DB01367"},{"ID":"DB00503"},{"ID":"DB00857"},{"ID":"DB00679"},{"ID":"DB00752"},{"ID":"DB00427"},{"ID":"DB00361"},{"ID":"DB01392"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00290","Name":"Bleomycin","DrugType":"small molecule","HalfLife":"115 minutes","Description":"A complex of related glycopeptide antibiotics from \u003ci\u003eStreptomyces verticillus\u003c/i\u003e consisting of bleomycin A2 and B2 (B2 CAS # 9060-10-0). It inhibits DNA metabolism and is used as an antineoplastic, especially for solid tumors. Bleomycin A2 is used as the representative structure for Bleomycin.","Classification":{"Description":"This compound belongs to the hybrid glycopeptides. These are compounds containing a carbohydrate component linked linked to an hybrid peptide component.","DirectParent":"Hybrid Glycopeptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For palliative treatment in the management malignant neoplasm (trachea, bronchus, lung), squamous cell carcinoma, and lymphomas.","Toxicity":"Excessive exposure may cause fever, chills, nausea, vomiting, mental, confusion, and wheezing. Bleomycin may cause irritation to eyes, skin and respiratory tract. It may also cause a darkening or thickening of the skin. It may cause an allergic reaction.","MechanismOfAction":"Although the exact mechanism of action of bleomycin is unknown, available evidence would seem to indicate that the main mode of action is the inhibition of DNA synthesis with some evidence of lesser inhibition of RNA and protein synthesis. DNA cleavage by bleomycin depends on oxygen and metal ions, at least in vitro. It is believed that bleomycin chelates metal ions (primarily iron) producing a pseudoenzyme that reacts with oxygen to produce superoxide and hydroxide free radicals that cleave DNA.","Pharmacodynamics":"Bleomycin is an antibiotic which has been shown to have antitumor activity. Bleomycin selectively inhibits the synthesis of deoxyribonucleic acid (DNA). The guanine and cytosine content correlates with the degree of mitomycin-induced cross-linking. At high concentrations of the drug, cellular RNA and protein synthesis are also suppressed. Bleomycin has been shown \u003ci\u003ein vitro\u003c/i\u003e to inhibit B cell, T cell, and macrophage proliferation and impair antigen presentation, as well as the secretion of interferon gamma, TNFa, and IL-2. The antibiotic antitumor drugs are cell cycle-nonspecific except for Bleomycin (which has major effects in G2 and M phases).","Absorption":"Systemic absorption is approximately 45%.","Interactions":[{"ID":"DB08870"},{"ID":"DB00390"},{"ID":"DB00099"},{"ID":"DB01320"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00252"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB00864"},{"ID":"DB00072"}],"Salts":[{"ID":"DBSALT000196","Name":"Bleomycin sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00291","Name":"Chlorambucil","DrugType":"small molecule","HalfLife":"1.5 hours","Description":"A nitrogen mustard alkylating agent used as antineoplastic agent for the treatment of various malignant and nonmalignant diseases. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed)","Classification":{"Description":"This compound belongs to the nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a phosphorus atom.","DirectParent":"Nitrogen Mustard Compounds","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Tertiary Amines"},"Indication":"For treatment of chronic lymphatic (lymphocytic) leukemia, childhood minimal-change nephrotic syndrome, and malignant lymphomas including lymphosarcoma, giant follicular lymphoma, Hodgkin's disease, non-Hodgkin's lymphomas, and Waldenström’s Macroglobulinemia.","Toxicity":"","MechanismOfAction":"Alkylating agents work by three different mechanisms: 1) attachment of alkyl groups to DNA bases, resulting in the DNA being fragmented by repair enzymes in their attempts to replace the alkylated bases, preventing DNA synthesis and RNA transcription from the affected DNA, 2) DNA damage via the formation of cross-links (bonds between atoms in the DNA) which prevents DNA from being separated for synthesis or transcription, and 3) the induction of mispairing of the nucleotides leading to mutations.","Pharmacodynamics":"Chlorambucil is an antineoplastic in the class of alkylating agents that is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death.","Absorption":"","Interactions":[{"ID":"DB06769"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB00864"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00292","Name":"Etomidate","DrugType":"small molecule","HalfLife":"75 minutes.","Description":"Imidazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic. [PubChem]","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Used in the induction of general anesthesia.","Toxicity":"Undesirable side effects of etomidate that may limit its use include pain on injection, myoclonus and adrenocortical suppression lasting 4-6 hours following an induction dose.","MechanismOfAction":"Etomidate binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Etomidate is a non-barbiturate hypnotic that acts at the level of the reticular-activating system to produce anesthesia. Etomidate is an imidazole compound that appears to depress CNS function via GABA. Duration of action is intermediate between thiopental and methohexital, and recovery from a single dose is rapid with little residual depression. Like the barbiturates and propofol, etomidate is does not induce analgesia. Etomidate induces unconsciousness within one circulation time. Recovery is rapid as a result of extensive redistribution and rapid metabolism.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00293","Name":"Raltitrexed","DrugType":"small molecule","HalfLife":"198 hours","Description":"Raltitrexed (brand name Tomudex\u0026reg;) is a chemotherapy drug manufactured AstraZeneca Company, is an antimetabolite used in chemotherapy. It is an inhibitor of thymidylate synthase.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of malignant neoplasm of colon and rectum","Toxicity":"Side effects include pale skin, troubled breathing, unusual bleeding or bruising, unusual tiredness or weakness, black, tarry stools, chest pain, chills, cough, fever, painful or difficult urination, shortness of breath, sore throat, sores, ulcers, or white spots on lips or in mouth, swollen glands, increase in bowel movements, loose stools, soft stools.","MechanismOfAction":"Raltitrexed is an antineoplastic Agents and folic acid antagonists. Raltitrexed inhibits thymidylate synthase (TS) leading to DNA fragmentation and cell death. It is transported into cells via a reduced folate carrier. Inside the cell Raltitrexed is extensively polyglutamated, which enhances thymidylate synthase inhibitory power and duration. Inhibition of this enzyme results in decreased synthesis of thymidine triphosphate which is required for DNA synthesis. ","Pharmacodynamics":"Raltitrexed belongs to a group of medicines known as antimetabolites. It is used to treat cancer of the colon and rectum. It may also be used to treat other kinds of cancer, as determined by your doctor. Raltitrexed blocks an enzyme needed by the cell to live. This interferes with the growth of cancer cells, which are eventually destroyed. Since the growth of normal body cells may also be affected by raltitrexed, other effects will also occur. Some of these may be serious and must be reported to your doctor. Other effects, like hair loss, may not be serious but may cause concern.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00294","Name":"Etonogestrel","DrugType":"small molecule","HalfLife":"25 hours","Description":"Etonogestrel is a molecule used in hormonal contraceptives, most notably the subdermal implant Implanon. [Wikipedia]","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"For use as a female contraceptive (depot).","Toxicity":"Symptoms of overdose include nausea, vomiting, vaginal bleeding, and other menstrual irregularities.","MechanismOfAction":"Etonogestrel binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like etonogestrel will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge.","Pharmacodynamics":"Etonogestrel is used as a female contraceptive. Etonogestrel is a progestin or a synthetic form of the naturally occurring female sex hormone, progesterone. In a woman's normal menstrual cycle, an egg matures and is released from the ovaries (ovulation). The ovary then produces progesterone, preventing the release of further eggs and priming the lining of the womb for a possible pregnancy. If pregnancy occurs, progesterone levels in the body remain high, maintaining the womb lining. If pregnancy does not occur, progesterone levels in the body fall, resulting in a menstrual period. Etonogestrel tricks the body processes into thinking that ovulation has already occurred, by maintaining high levels of the synthetic progesterone. This prevents the release of eggs from the ovaries.","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB00307"},{"ID":"DB00930"},{"ID":"DB00599"},{"ID":"DB00755"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00295","Name":"Morphine","DrugType":"small molecule","HalfLife":"2-4 hours","Description":"The principal alkaloid in opium and the prototype opiate analgesic and narcotic. Morphine has widespread effects in the central nervous system and on smooth muscle. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the relief and treatment of severe pain.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 461 mg/kg (rat, oral), 600 mg/kg (mouse, oral). Human lethal dose by ingestion is 120-250 mg of morphine sulfate. Symptoms of overdose include cold, clammy skin, flaccid muscles, fluid in the lungs, lowered blood pressure, \"pinpoint\" or dilated pupils, sleepiness leading to stupor and coma, slowed breathing, and slow pulse rate.","MechanismOfAction":"The precise mechanism of the analgesic action of morphine is unknown. However, specific CNS opiate receptors have been identified and likely play a role in the expression of analgesic effects. Morphine first acts on the mu-opioid receptors. The mechanism of respiratory depression involves a reduction in the responsiveness of the brain stem respiratory centers to increases in carbon dioxide tension and to electrical stimulation.\r\nIt has been shown that morphine binds to and inhibits GABA inhibitory interneurons. These interneurons normally inhibit the descending pain inhibition pathway. So, without the inhibitory signals, pain modulation can proceed downstream.","Pharmacodynamics":"Morphine is a narcotic pain management agent indicated for the relief of pain in patients who require opioid analgesics for more than a few days. Morphine interacts predominantly with the opioid mu-receptor. These mu-binding sites are discretely distributed in the human brain, with high densities in the posterior amygdala, hypothalamus, thalamus, nucleus caudatus, putamen, and certain cortical areas. They are also found on the terminal axons of primary afferents within laminae I and II (substantia gelatinosa) of the spinal cord and in the spinal nucleus of the trigeminal nerve. In clinical settings, morphine exerts its principal pharmacological effect on the central nervous system and gastrointestinal tract. Its primary actions of therapeutic value are analgesia and sedation. Morphine appears to increase the patient's tolerance for pain and to decrease discomfort, although the presence of the pain itself may still be recognized. In addition to analgesia, alterations in mood, euphoria and dysphoria, and drowsiness commonly occur. Opioids also produce respiratory depression by direct action on brain stem respiratory centers.","Absorption":"Bioavailability is approximately 30%.","Interactions":[{"ID":"DB06274"},{"ID":"DB06210"},{"ID":"DB01045"},{"ID":"DB00427"},{"ID":"DB00685"}],"Salts":[{"ID":"DBSALT000122","Name":"Morphine Sulfate "}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00622","Drugs":["DB00295","DB03435"]},{"ID":"SMP00621","Drugs":["DB00295","DB00318","DB03435"]},{"ID":"SMP00623","Drugs":["DB00295","DB01452","DB03166"]},{"ID":"SMP00407","Drugs":["DB00295","DB00368","DB00988","DB01345","DB01373","DB01452","DB03166"]},{"ID":"SMP00406","Drugs":["DB00295","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00405","Drugs":["DB00295","DB00318","DB00368","DB00988","DB01345","DB01373","DB03435"]}]},{"ID":"DB00296","Name":"Ropivacaine","DrugType":"small molecule","HalfLife":"Approximately 4.2 hours.","Description":"Ropivacaine is a local anaesthetic drug belonging to the amino amide group. The name ropivacaine refers to both the racemate and the marketed S-enantiomer. Ropivacaine hydrochloride is commonly marketed by AstraZeneca under the trade name Naropin. [Wikipedia]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used in obstetric anesthesia and regional anesthesia for surgery.","Toxicity":"Systemic exposure to excessive quantities of ropivacaine mainly result in central nervous system (CNS) and cardiovascular effects – CNS effects usually occur at lower blood plasma concentrations and additional cardiovascular effects present at higher concentrations, though cardiovascular collapse may also occur with low concentrations. CNS effects may include CNS excitation (nervousness, tingling around the mouth, tinnitus, tremor, dizziness, blurred vision, seizures) followed by depression (drowsiness, loss of consciousness, respiratory depression and apnea). Cardiovascular effects include hypotension, bradycardia, arrhythmias, and/or cardiac arrest – some of which may be due to hypoxemia secondary to respiratory depression.","MechanismOfAction":"Local anesthetics such as Ropivacaine block the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse, and by reducing the rate of rise of the action potential. Specifically, they block the sodium-channel and decrease chances of depolarization and consequent action potentials. In general, the progression of anesthesia is related to the diameter, myelination and conduction velocity of affected nerve fibers.","Pharmacodynamics":"Ropivacaine, a local anesthetic agent, is indicated for the production of local or regional anesthesia or analgesia for surgery, for oral surgery procedures, for diagnostic and therapeutic procedures, and for obstetrical procedures.","Absorption":"Bioavailability is 87%–98% following epidural administration.","Interactions":[{"ID":"DB00176"}],"Salts":[{"ID":"DBSALT000902","Name":"Ropivacaine hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00404","Drugs":["DB00296","DB00368","DB00988","DB01345","DB01373"]}]},{"ID":"DB00297","Name":"Bupivacaine","DrugType":"small molecule","HalfLife":"2.7 hours in adults and 8.1 hours in neonates","Description":"A widely used local anesthetic agent. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the production of local or regional anesthesia or analgesia for surgery, for oral surgery procedures, for diagnostic and therapeutic procedures, and for obstetrical procedures.","Toxicity":"The mean seizure dosage of bupivacaine in rhesus monkeys was found to be 4.4 mg/kg with mean arterial plasma concentration of 4.5 mcg/mL. The intravenous and subcutaneous LD 50 in mice is 6 to 8 mg/kg and 38 to 54 mg/kg respectively. Recent clinical data from patients experiencing local anesthetic induced convulsions demonstrated rapid development of hypoxia, hypercarbia, and acidosis with bupivacaine within a minute of the onset of convulsions. These observations suggest that oxygen consumption and carbon dioxide production are greatly increased during local anesthetic convulsions and emphasize the importance of immediate and effective ventilation with oxygen which may avoid cardiac arrest.","MechanismOfAction":"Local anesthetics such as bupivacaine block the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse, and by reducing the rate of rise of the action potential. Bupivacaine binds to the intracellular portion of sodium channels and blocks sodium influx into nerve cells, which prevents depolarization. In general, the progression of anesthesia is related to the diameter, myelination and conduction velocity of affected nerve fibers. Clinically, the order of loss of nerve function is as follows: (1) pain, (2) temperature, (3) touch, (4) proprioception, and (5) skeletal muscle tone. The analgesic effects of Bupivicaine are thought to potentially be due to its binding to the prostaglandin E2 receptors, subtype EP1 (PGE2EP1), which inhibits the production of prostaglandins, thereby reducing fever, inflammation, and hyperalgesia.","Pharmacodynamics":"Bupivacaine is a widely used local anesthetic agent. Bupivacaine is often administered by spinal injection prior to total hip arthroplasty. It is also commonly injected into surgical wound sites to reduce pain for up to 20 hours after surgery. In comparison to other local anesthetics it has a long duration of action. It is also the most toxic to the heart when administered in large doses. This problem has led to the use of other long-acting local anaesthetics:ropivacaine and levobupivacaine. Levobupivacaine is a derivative, specifically an enantiomer, of bupivacaine. Systemic absorption of local anesthetics produces effects on the cardiovascular and central nervous systems. At blood concentrations achieved with therapeutic doses, changes in cardiac conduction, excitability, refractoriness, contractility, and peripheral vascular resistance are minimal. However, toxic blood concentrations depress cardiac conduction and excitability, which may lead to atrioventricular block, ventricular arrhythmias and to cardiac arrest, sometimes resulting in fatalities. In addition, myocardial contractility is depressed and peripheral vasodilation occurs, leading to decreased cardiac output and arterial blood pressure. Following systemic absorption, local anesthetics can produce central nervous system stimulation, depression or both.","Absorption":"The rate of systemic absorption of local anesthetics is dependent upon the total dose and concentration of drug administered, the route of administration, the vascularity of the administration site, and the presence or absence of epinephrine in the anesthetic solution.","Interactions":[{"ID":"DB00872"}],"Salts":[{"ID":"DBSALT000202","Name":"Bupivacaine Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00393","Drugs":["DB00297","DB00368","DB00988","DB01345","DB01373"]}]},{"ID":"DB00298","Name":"Dapiprazole","DrugType":"small molecule","HalfLife":"","Description":"Dapiprazole (U.S. trade name Rev-Eyes) is an alpha blocker. It is used to reverse mydriasis after eye examination. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"Used in the treatment of iatrogenically induced mydriasis produced by adrenergic (phenylephrine) or parasympatholytic (tropicamide) agents used in certain eye examinations.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e is 1189-2100 mg/kg in mice, rats and rabbits.","MechanismOfAction":"Dapiprazole acts through blocking the alpha1-adrenergic receptors in smooth muscle. It produces miosis through an effect on the dilator muscle of the iris and does not have any significant activity on ciliary muscle contraction and, therefore does not induce a significant change in the anterior chamber depth or the thickness of the lens.","Pharmacodynamics":"Dapiprazole is an alpha-adrenergic blocking agent. It produces miosis by blocking the alpha-adrenergic receptors on the dilator muscle of the iris. Dapiprazole produces no significant action on ciliary muscle contraction and thus, there are no changes in the depth of the anterior chamber of the thickness of the lens. It does not alter the IOP either in normal eyes or in eyes with elevated IOP. The rate of pupillary constriction may be slightly slower in clients with brown irises than in clients with blue or green irises.","Absorption":"Systemic absorption is negligible.","Interactions":[{"ID":"DB00706"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00299","Name":"Penciclovir","DrugType":"small molecule","HalfLife":"2 hours","Description":"Penciclovir is a guanine analogue antiviral drug used for the treatment of various herpesvirus infections. It is a nucleoside analogue which exhibits low toxicity and good selectivity. [Wikipedia]","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"Used to treat recurrent cold sores on the lips and face from various herpesvirus invections.","Toxicity":"Symptoms of overdose include headache, abdominal pain, increased serum lipase, nausea, dyspepsia, dizziness, and hyperbilirubinemia.","MechanismOfAction":"Penciclovir has \u003ci\u003ein vitro\u003c/i\u003e activity against herpes simplex virus types 1 (HSV-1) and 2 (HSV-2). In cells infected with HSV-1 or HSV-2, viral thymidine kinase phosphorylates penciclovir to a monophosphate form. The monophosphate form of the drug is then converted to penciclovir triphosphate by cellular kinases. The intracellular triphosphate of penciclovir is retained \u003ci\u003ein vitro\u003c/i\u003e inside HSV-infected cells for 10-20 hours, compared with 0.7-1 hour for acyclovir. \u003ci\u003ein vitro\u003c/i\u003e studies show that penciclovir triphosphate selectively inhibits viral DNA polymerase by competing with deoxyguanosine triphosphate. Inhibition of DNA synthesis of virus-infected cells inhibits viral replication. In cells not infected with HSV, DNA synthesis is unaltered. Resistant mutants of HSV can occur from qualitative changes in viral thymidine kinase or DNA polymerase. The most commonly encountered acyclovir-resistant mutants that are deficient in viral thymidine kinase are also resistant to penciclovir.","Pharmacodynamics":"Penciclovir is the active metabolite of the oral product famciclovir. The more favorable results observed with topical penciclovir versus topical acyclovir for the treatment of herpes labialis may be due to the longer intracellular half-life of penciclovir in HSV-infected cells. The activated drug inhibits the viral DNA polymerase. This impairs the ability of the virus to replicate within the cell.","Absorption":"Measurable penciclovir concentrations were not detected in plasma or urine of healthy male volunteers (n= 12) following single or repeat application of the 1% cream at a dose of 180 mg penciclovir daily.","Interactions":[{"ID":"DB01370"},{"ID":"DB01574"},{"ID":"DB00390"},{"ID":"DB01592"},{"ID":"DB01575"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00300","Name":"Tenofovir","DrugType":"small molecule","HalfLife":"When a single oral dose is given, the terminal elimination half-life is approximately 17 hours. ","Description":"Tenofovir disoproxil fumarate (a prodrug of tenofovir), marketed by Gilead Sciences under the trade name Viread\u0026reg;, belongs to a class of antiretroviral drugs known as nucleotide analogue reverse transcriptase inhibitors (nRTIs), which block reverse transcriptase, an enzyme crucial to viral production in HIV-infected people. [Wikipedia] In vivo tenofovir disoproxil fumarate is converted to tenofovir, an acyclic nucleoside phosphonate (nucleotide) analog of adenosine 5'-monophosphate. ","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"Tenofovir is indicated in combination with other antiretroviral agents for the treatment of HIV-1 infection in adults and pediatric patients 2 years of age and older. It is also indicated for the treatment of chronic hepatitis B in adults and pediatric patients 12 years of age and older. ","Toxicity":"Limited clinical experience at doses higher than the therapeutic dose of tenofovir 300 mg is available. In Study 901 tenofovir disoproxil fumarate 600 mg was administered to 8 patients orally for 28 days. No severe adverse reactions were reported. The effects of higher doses are not known.","MechanismOfAction":"Tenofovir inhibits the activity of HIV reverse transcriptase by competing with the natural substrate deoxyadenosine 5\u0026rsquo;-triphosphate and, after incorporation into DNA, by DNA chain termination. Specifically, the drugs are analogues of the naturally occurring deoxynucleotides needed to synthesize the viral DNA and they compete with the natural deoxynucleotides for incorporation into the growing viral DNA chain. However, unlike the natural deoxynucleotides substrates, NRTIs and NTRTIs (nucleoside/tide reverse transcriptase inhibitors) lack a 3'-hydroxyl group on the deoxyribose moiety. As a result, following incorporation of an NRTI or an NtRTI, the next incoming deoxynucleotide cannot form the next 5'-3' phosphodiester bond needed to extend the DNA chain. Thus, when an NRTI or NtRTI is incorporated, viral DNA synthesis is halted, a process known as chain termination. All NRTIs and NtRTIs are classified as competitive substrate inhibitors. ","Pharmacodynamics":"Tenofovir belongs to a class of antiretroviral drugs known as nucleotide analogue reverse transcriptase inhibitors (NtRTIs), which block reverse transcriptase, an enzyme crucial to viral production in HIV-infected people. Tenofovir is currently in late-stage clinical trials for the treatment of hepatitis B. Tenofovir disoproxil fumarate is an acyclic nucleoside phosphonate diester analog of adenosine monophosphate. Tenofovir requires initial diester hydrolysis for conversion to tenofovir and subsequent phosphorylations by cellular enzymes to form tenofovir diphosphate. Tenofovir diphosphate is a weak inhibitor of mammalian DNA polymerases \u0026alpha;, \u0026beta;, and mitochondrial DNA polymerase \u0026gamma;.","Absorption":"Tenofovir disoproxil fumarate is the water soluble diester prodrug of the active ingredient tenofoir. The oral bioavailability in fasted patients is approximately 25%. When a single oral dose (300 mg) is given to HIV-1 infected subjects in the fasted state, the maximum serum concentration was achieved in 1.0 ± 0.4 hours (Tmax). Cmax and AUC values are 0.30 ± 0.09 µg/mL and 2.29 ± 0.69 µg∙hr/mL. Administration of food (high fat meal containing 40 to 50% fat) increases the oral bioavailability, with an increase in the AUC of approximately 40%. Cmax is lower in the oral powder, compared to the tablet formulation. However, the mean AUC is similar between the two formulations. ","Interactions":[{"ID":"DB01072"},{"ID":"DB00900"},{"ID":"DB01610"}],"Salts":[{"ID":"DBSALT000172","Name":"Tenofovir Disoproxil Fumarate"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00630","Drugs":["DB00300"]}]},{"ID":"DB00301","Name":"Flucloxacillin","DrugType":"small molecule","HalfLife":"0.75–1 hour","Description":"Antibiotic analog of cloxacillin. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to treat bacterial infection by susceptible microorganisms.","Toxicity":"","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, flucloxacillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that flucloxacillin interferes with an autolysin inhibitor.","Pharmacodynamics":"Flucloxacillin is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name \"penicillin\" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Flucloxacillin has \u003ci\u003ein vitro\u003c/i\u003e activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Flucloxacillin results from the inhibition of cell wall synthesis and is mediated through flucloxacillin binding to penicillin binding proteins (PBPs). Flucloxacillin is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases.","Absorption":"Bioavailability is 50–70% following oral administration.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT000345","Name":"Flucloxacillin Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00302","Name":"Tranexamic Acid","DrugType":"small molecule","HalfLife":"Biological half-life in the joint fluid is about 3 hours.","Description":"Antifibrinolytic hemostatic used in severe hemorrhage. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For use in patients with hemophilia for short term use (two to eight days) to reduce or prevent hemorrhage and reduce the need for replacement therapy during and following tooth extraction. It can also be used for excessive bleeding in menstruation, surgery, or trauma cases.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in mice is \u003e10 gm/kg. Symptoms of overdosage may be nausea, vomiting, orthostatic symptoms and/or hypotension.","MechanismOfAction":"Tranexamic acid competitively inhibits activation of plasminogen (via binding to the kringle domain), thereby reducing conversion of plasminogen to plasmin (fibrinolysin), an enzyme that degrades fibrin clots, fibrinogen, and other plasma proteins, including the procoagulant factors V and VIII. Tranexamic acid also directly inhibits plasmin activity, but higher doses are required than are needed to reduce plasmin formation.","Pharmacodynamics":"Tranexamic acid is an antifibrinolytic that competitively inhibits the activation of plasminogen to plasmin. Tranexamic acid is a competitive inhibitor of plasminogen activation, and at much higher concentrations, a noncompetitive inhibitor of plasmin, i.e., actions similar to aminocaproic acid. Tranexamic acid is about 10 times more potent in vitro than aminocaproic acid. Tranexamic acid binds more strongly than aminocaproic acid to both the strong and weak receptor sites of the plasminogen molecule in a ratio corresponding to the difference in potency between the compounds. Tranexamic acid in a concentration of 1 mg per mL does not aggregate platelets in vitro. In patients with hereditary angioedema, inhibition of the formation and activity of plasmin by tranexamic acid may prevent attacks of angioedema by decreasing plasmin-induced activation of the first complement protein (C1).","Absorption":"Absorption of tranexamic acid after oral administration in humans represents approximately 30 to 50% of the ingested dose and bioavailability is not affected by food intake.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00287","Drugs":["DB00302","DB01373"]}]},{"ID":"DB00303","Name":"Ertapenem","DrugType":"small molecule","HalfLife":"The mean plasma half-life is approximately 4 hours.","Description":"Ertapenem is a carbapenem antibiotic marketed by Merck as Invanz\u0026reg;. It is structurally very similar to meropenem in that it possess a 1-beta-methyl group. [Wikipedia]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment the following moderate to severe infections caused by susceptible isolates of the designated microorganisms: (1) complicated intra-abdominal infections due to \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eClostridium clostridioforme\u003c/i\u003e, \u003ci\u003eEubacterium lentum\u003c/i\u003e, \u003ci\u003ePeptostreptococcus\u003c/i\u003e species, \u003ci\u003eBacteroides fragilis\u003c/i\u003e, \u003ci\u003eBacteroides distasonis\u003c/i\u003e, \u003ci\u003eBacteroides ovatus\u003c/i\u003e, \u003ci\u003eBacteroides thetaiotaomicron\u003c/i\u003e, or \u003ci\u003eBacteroides uniformis\u003c/i\u003e, (2) complicated skin and skin structure infections, including diabetic foot infections without osteomyelitis due to \u003ci\u003eStaphylococcus aureus\u003c/i\u003e (methicillin susceptible isolates only), \u003ci\u003eStreptococcus agalactiae\u003c/i\u003e, \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e, \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, \u003ci\u003eProteus mirabilis\u003c/i\u003e, \u003ci\u003eBacteroides fragilis\u003c/i\u003e, \u003ci\u003ePeptostreptococcus\u003c/i\u003e species, \u003ci\u003ePorphyromonas asaccharolytica\u003c/i\u003e, or \u003ci\u003ePrevotella bivia\u003c/i\u003e, (3) community acquired pneumonia due to \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e (penicillin susceptible isolates only) including cases with concurrent bacteremia, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e (beta-lactamase negative isolates only), or \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e, (4) complicated urinary tract infections including pyelonephritis due to \u003ci\u003eEscherichia coli\u003c/i\u003e, including cases with concurrent bacteremia, or \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, (5) acute pelvic infections including postpartum endomyometritis, septic abortion and post surgical gynecologic infections due to \u003ci\u003eStreptococcus agalactiae\u003c/i\u003e, \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eBacteroides fragilis\u003c/i\u003e, \u003ci\u003ePorphyromonas asaccharolytica\u003c/i\u003e, \u003ci\u003ePeptostreptococcus\u003c/i\u003e species, or \u003ci\u003ePrevotella bivia\u003c/i\u003e.","Toxicity":"","MechanismOfAction":"The bactericidal activity of ertapenem results from the inhibition of cell wall synthesis and is mediated through ertapenem binding to penicillin binding proteins (PBPs). In \u003ci\u003eEscherichia coli\u003c/i\u003e, it has strong affinity toward PBPs 1a, 1b, 2, 3, 4 and 5 with preference for PBPs 2 and 3. Ertapenem is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases. Ertapenem is hydrolyzed by metallo-beta-lactamases.","Pharmacodynamics":"Ertapenem has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria.","Absorption":"Ertapenem is almost completely absorbed following intramuscular administration. The bioavailability of a 1 g intramuscular dose approximated 92% in 26 healthy subjects [77% male; median (range) age, 29 (22–41) years]. Plasma concentrations of total ertapenem were similar whether given intramuscularly or intravenously.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00304","Name":"Desogestrel","DrugType":"small molecule","HalfLife":"27.8\u0026plusmn;7.2 hours","Description":"A synthetic progestational hormone used often as the progestogenic component of combined oral contraceptive agents. [PubChem]","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"For the prevention of pregnancy in women who elect to use this product as a method of contraception.","Toxicity":"Symptoms of overdose include nausea and vaginal bleeding.","MechanismOfAction":"Binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like desogestrel will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge.","Pharmacodynamics":"Desogestrel is used as a female contraceptive. Desogestrel is a progestin or a synthetic form of the naturally occurring female sex hormone, progesterone. In a woman's normal menstrual cycle, an egg matures and is released from the ovaries (ovulation). The ovary then produces progesterone, preventing the release of further eggs and priming the lining of the womb for a possible pregnancy. If pregnancy occurs, progesterone levels in the body remain high, maintaining the womb lining. If pregnancy does not occur, progesterone levels in the body fall, resulting in a menstrual period. Desogestrel tricks the body processes into thinking that ovulation has already occurred, by maintaining high levels of the synthetic progesterone. This prevents the release of eggs from the ovaries.","Absorption":"Following oral administration, the relative bioavailability of desogestrel, as measured by serum levels of etonogestrel, is approximately 84%. The absolute oral bioavailability is about 76%.","Interactions":[{"ID":"DB06697"},{"ID":"DB00307"},{"ID":"DB00930"},{"ID":"DB00555"},{"ID":"DB00599"},{"ID":"DB00755"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00305","Name":"Mitomycin","DrugType":"small molecule","HalfLife":"8-48 min","Description":"An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional alkylating agents causing cross-linking of DNA and inhibition of DNA synthesis. [PubChem]","Classification":{"Description":"This compound belongs to the mitomycins. These are polycyclic compounds whose structure is based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione.","DirectParent":"Mitomycins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolequinones"},"Indication":"For treatment of malignant neoplasm of lip, oral cavity, pharynx, digestive organs, peritoneum, female breast, and urinary bladder. Also used as an adjunct to ab externo glaucoma surgery.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 23 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 30 mg/kg. Symptoms of overdose include nausea and vomiting.","MechanismOfAction":"Mitomycin is activated in vivo to a bifunctional and trifunctional alkylating agent. Binding to DNA leads to cross-linking and inhibition of DNA synthesis and function. Mitomycin is cell cycle phase-nonspecific.","Pharmacodynamics":"Mitomycin is one of the older chemotherapy drugs, which has been around and in use for decades. It is an antibiotic which has been shown to have antitumor activity. Mitomycin selectively inhibits the synthesis of deoxyribonucleic acid (DNA). The guanine and cytosine content correlates with the degree of mitomycin-induced cross-linking. At high concentrations of the drug, cellular RNA and protein synthesis are also suppressed. Mitomycin has been shown \u003ci\u003ein vitro\u003c/i\u003e to inhibit B cell, T cell, and macrophage proliferation and impair antigen presentation, as well as the secretion of interferon gamma, TNFa, and IL-2.","Absorption":"Erratic.","Interactions":[{"ID":"DB00072"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00309"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00306","Name":"Talbutal","DrugType":"small molecule","HalfLife":"","Description":"Talbutal, also called 5-allyl-5-sec-butylbarbituric acid, is a barbiturate with a short to intermediate duration of action. Talbutal is a schedule III drug in the U.S.","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For use as a sedative and hypnotic.","Toxicity":"Symptoms of acute barbiturate poisoning include drowsiness, confusion, coma, respiratory depression, hypotension, and shock.","MechanismOfAction":"Talbutal binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Talbutal is a short to intermediate-acting barbiturate. Barbiturates act as nonselective depressants of the central nervous system (CNS), capable of producing all levels of CNS mood alteration from excitation to mild sedation, hypnosis, and deep coma. In sufficiently high therapeutic doses, barbiturates induce anesthesia.","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00277"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00307","Name":"Bexarotene","DrugType":"small molecule","HalfLife":"7 hours","Description":"Bexarotene (Targretin) is an antineoplastic agent indicated by the FDA for Cutaneous T cell lymphoma. It has been used off-label for lung cancer, breast cancer, and Kaposi's sarcoma. [Wikipedia]","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"Used orally for the treatment of skin manifestations of cutaneous T-cell lymphoma (CTCL) in patients who are refractory to at least one prior systemic therapy. Also used topically for the treatment of skin lesions in early (stage IA and IB) CTCL in patients who experience refractory or persistent disease with the use of other therapies or are intolerant of other therapies.","Toxicity":"","MechanismOfAction":"Bexarotene selectively binds with and activates retinoid X receptor subtypes. There are three subtypes in total: RXR\u003csub\u003eα\u003c/sub\u003e, RXR\u003csub\u003eβ\u003c/sub\u003e, RXR\u003csub\u003eγ\u003c/sub\u003e. The exact mechanism of action of bexarotene in the treatment of CTCL is unknown but the drug has activity in all clinical stages of CTCL.","Pharmacodynamics":"Bexarotene is a member of a subclass of retinoids that selectively activate retinoid X receptors (RXRs). These retinoid receptors have biologic activity distinct from that of retinoic acid receptors (RARs). Bexarotene is indicated for the treatment of cutaneous manifestations of cutaneous T-cell lymphoma in patients who are refractory to at least one prior systemic therapy. Bexarotene selectively binds and activates retinoid X receptor subtypes (RXR\u003csub\u003eα\u003c/sub\u003e, RXR\u003csub\u003eβ\u003c/sub\u003e, RXR\u003csub\u003eγ\u003c/sub\u003e). RXRs can form heterodimers with various receptor partners such as retinoic acid receptors (RARs), vitamin D receptor, thyroid receptor, and peroxisome proliferator activator receptors (PPARs). Once activated, these receptors function as transcription factors that regulate the expression of genes that control cellular differentiation and proliferation. Bexarotene inhibits the growth \u003ci\u003ein vitro\u003c/i\u003e of some tumor cell lines of hematopoietic and squamous cell origin. It also induces tumor regression \u003ci\u003ein vivo\u003c/i\u003e in some animal models.","Absorption":"","Interactions":[{"ID":"DB00872"},{"ID":"DB00618"},{"ID":"DB00304"},{"ID":"DB00254"},{"ID":"DB01395"},{"ID":"DB00823"},{"ID":"DB00294"},{"ID":"DB01241"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB01017"},{"ID":"DB06713"},{"ID":"DB00717"},{"ID":"DB00957"},{"ID":"DB00759"},{"ID":"DB00560"},{"ID":"DB00162"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00308","Name":"Ibutilide","DrugType":"small molecule","HalfLife":"6 hours (ranges from 2-12 hours)","Description":"Ibutilide is a Class III antiarrhythmic agent that is indicated for acute cardioconversion of atrial fibrillation and atrial flutter of a recent onset to sinus rhythm. [Wikipedia]","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"Indicated for the rapid conversion of atrial fibrillation or atrial flutter of recent onset to sinus rhythm.","Toxicity":"Acute overdose in animals results in CNS toxicity; notably, CNS depression, rapid gasping breathing, and convulsions. The intravenous median lethal dose in the rat was more than 50 mg/kg which is, on a mg/m\u003csup\u003e2\u003c/sup\u003e basis, at least 250 times the maximum recommended human dose.","MechanismOfAction":"Ibutilide is a 'pure' class III antiarrhythmic drug, used intravenously against atrial flutter and fibrillation. At a cellular level it exerts two main actions: induction of a persistent Na+ current sensitive to dihydropyridine Ca\u003csup\u003e2+\u003c/sup\u003e channel blockers and potent inhibition of the cardiac rapid delayed rectifier K\u003csup\u003e+\u003c/sup\u003e current, by binding within potassium channel pores. In other words, Ibutilide binds to and alters the activity of hERG potassium channels, delayed inward rectifier potassium (IKr) channels and L-type (dihydropyridine sensitive) calcium channels","Pharmacodynamics":"Ibutilide prolongs the action potential duration and increases both atrial and ventricular refractoriness in vivo, i.e., class III electrophysiologic effects. Voltage clamp studies indicate that ibutilide, at nanomolar concentrations, delays repolarization by activation of a slow, inward current (predominantly sodium), rather than by blocking outward potassium currents, which is the mechanism by which most other class III antiarrhythmics act.","Absorption":"Rapid after intravenous injection","Interactions":[{"ID":"DB06697"},{"ID":"DB00604"},{"ID":"DB08868"},{"ID":"DB06708"},{"ID":"DB00243"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT001069","Name":"Ibutilide Fumarate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00332","Drugs":["DB00308","DB01345","DB01373"]}]},{"ID":"DB00309","Name":"Vindesine","DrugType":"small molecule","HalfLife":"24 hours.","Description":"Vinblastine derivative with antineoplastic activity against cancer. Major side effects are myelosuppression and neurotoxicity. Vindesine is used extensively in chemotherapy protocols (antineoplastic combined chemotherapy protocols). [PubChem]","Classification":{"Description":"This compound belongs to the rhazinilam alkaloids.","DirectParent":"Rhazinilam Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Rhazinilam Alkaloids","SubClass":""},"Indication":"For the treatment of acute leukaemia, malignant lymphoma, Hodgkin's disease, acute erythraemia and acute panmyelosis","Toxicity":"","MechanismOfAction":"Vindesine acts by causing the arrest of cells in metaphase mitosis through its inhibition tubulin mitotic funcitoning. The drug is cell-cycle specific for the S phase.","Pharmacodynamics":"Vindesine is indicated for the treatment of acute lymphocytic leukemia of childhood that is resistant to vincristine and non-oat cell lung cancer.Vindesine causes the arrest of cells in metaphase mitosis. It is three times more potent than vincristine and nearly 10 times more potent than vinblastine in causing mitotic arrest in \u003ci\u003ein vitro\u003c/i\u003e studies at doses designed to arrest from 10 to 15% of the cells in mitosis. Vindesine and vincristine are approximately equipotent at dose levels that arrest 40 to 50% of the cells in mitosis. Unlike vinblastine, vindesine produces very few postmetaphase cells. Vindesine has demonstrated activity in patients who have relapsed while receiving multiple-agent treatment that included vincristine.","Absorption":"","Interactions":[{"ID":"DB00305"},{"ID":"DB01369"}],"Salts":[{"ID":"DBSALT000440","Name":"Vindesine Sulfate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00438","Drugs":["DB00309"]}]},{"ID":"DB00310","Name":"Chlorthalidone","DrugType":"small molecule","HalfLife":"40 hours","Description":"A benzenesulfonamide-phthalimidine that tautomerizes to a benzophenones form. It is considered a thiazide-like diuretic. [PubChem]","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"For management of hypertension either as the sole therapeutic agent or to enhance the effect of other antihypertensive drugs in the more severe forms of hypertension.","Toxicity":"Symptoms of overdose include nausea, weakness, dizziness and disturbances of electrolyte balance.","MechanismOfAction":"Chlorthalidone inhibits sodium ion transport across the renal tubular epithelium in the cortical diluting segment of the ascending limb of the loop of Henle. By increasing the delivery of sodium to the distal renal tubule, Chlorthalidone indirectly increases potassium excretion via the sodium-potassium exchange mechanism.","Pharmacodynamics":"Chlorthalidone, a monosulfonamyl diuretic, differs form other thiazide diuretics in that a double ring system is incorporated into its structure. Chlorthalidone is used alone or with atenolol in the management of hypertension and edema.","Absorption":"Absorbed relatively rapidly after oral administration.","Interactions":[{"ID":"DB01078"},{"ID":"DB01119"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00204"},{"ID":"DB05039"},{"ID":"DB01356"},{"ID":"DB00469"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00122","Drugs":["DB00151","DB00310","DB01345","DB03904"]}]},{"ID":"DB00311","Name":"Ethoxzolamide","DrugType":"small molecule","HalfLife":"2.5-5.5 hours","Description":"A carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia. [PubChem]","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"For use in the treatment of duodenal ulcers, as a diuretic, and in the treatment of glaucoma, and may also be useful in the treatment of seizures associated with epilepsy.","Toxicity":"","MechanismOfAction":"Ethoxzolamide binds and inhibits carbonic anhydrase I. Carbonic anhydrase plays an essential role in facilitating the transport of carbon dioxide and protons in the intracellular space, across biological membranes and in the layers of the extracellular space. The inhibition of this enzyme effects the balance of applicable membrane equilibrium systems. This reduction in carbonic anhydrase also reduces the intraocular pressure in the eye by decreasing aqueous humor.","Pharmacodynamics":"Ethoxzolamide, a sulfonamide, inhibits carbonic anhydrase activity in proximal renal tubules to decrease reabsorption of water, sodium, potassium, bicarbonate. It also decreases carbonic anhydrase in the CNS, increasing the seizure threshold. This reduction in carbonic anhydrase also reduces the intraocular pressure in the eye by decreasing aqueous humor.","Absorption":"Rapidly absorbed with 65% bioavailability","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00312","Name":"Pentobarbital","DrugType":"small molecule","HalfLife":"5 to 50 hours (dose dependent)","Description":"A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236)","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the short-term treatment of insomnia.","Toxicity":"Symptoms of an overdose typically include sluggishness, incoordination, difficulty in thinking, slowness of speech, faulty judgment, drowsiness or coma, shallow breathing, staggering, and in severe cases coma and death.","MechanismOfAction":"Pentobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission.","Pharmacodynamics":"Pentobarbital, a barbiturate, is used for the treatment of short term insomnia. It belongs to a group of medicines called central nervous system (CNS) depressants that induce drowsiness and relieve tension or nervousness. Little analgesia is conferred by barbiturates; their use in the presence of pain may result in excitation.","Absorption":"Barbiturates are absorbed in varying degrees following oral, rectal, or parenteral administration.","Interactions":[{"ID":"DB01223"},{"ID":"DB06769"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB08866"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB01656"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00277"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00620"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB05294"},{"ID":"DB00661"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000442","Name":"Pentobarbital Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00313","Name":"Valproic Acid","DrugType":"small molecule","HalfLife":"9-16 hours (following oral administration of 250 mg to 1000 mg) ","Description":"Valproic acid, supplied as the sodium salt valproate semisodium or divalproex sodium, is a fatty acid with anticonvulsant properties used in the treatment of epilepsy. The mechanisms of its therapeutic actions are not well understood. It may act by increasing gamma-aminobutyric acid levels in the brain or by altering the properties of voltage dependent sodium channels. Typically supplied in the sodium salt form (CAS number: 76584-70-8). Valproic Acid is also a histone deacetylase inhibitor and is under investigation for treatment of HIV and various cancers.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For treatment and management of seizure disorders, mania, and prophylactic treatment of migraine headache. In epileptics, valproic acid is used to control absence seizures, tonic-clonic seizures (grand mal), complex partial seizures, and the seizures associated with Lennox-Gastaut syndrome.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 1098 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 670 mg/kg. Symptoms of overdose may include coma, extreme drowsiness, and heart problems. The safety and tolerability of valproate in pediatric patients were shown to be comparable to those in adults. ","MechanismOfAction":"Valproic Acid dissociates to the valproate ion in the gastrointestinal tract and then binds to and inhibits GABA transaminase. The drug's anticonvulsant activity may be related to increased brain concentrations of gamma-aminobutyric acid (GABA), an inhibitory neurotransmitter in the CNS, by inhibiting enzymes that catabolize GABA or block the reuptake of GABA into glia and nerve endings. Valproic Acid may also work by suppressing repetitive neuronal firing through inhibition of voltage-sensitive sodium channels. It is also a histone deacetylase inhibitor. Valproic acid has also been shown to be an inhibitor of an enzyme called histone deacetylase 1 (HDAC1). HDAC1 is needed for HIV to remain in infected cells. A study published in August 2005 revealed that patients treated with valproic acid in addition to highly active antiretroviral therapy (HAART) showed a 75% reduction in latent HIV infection.","Pharmacodynamics":"The relationship between plasma concentration and clinical response is not well documented. One contributing factor is the nonlinear, concentration dependent protein binding of valproate which affects the clearance of the drug. Thus, monitoring of total serum valproate cannot provide a reliable index of the bioactive valproate species. For patients with epilepsy, the therapeutic range is commonly considered to be 50 to 100 mcg/mL of total valproate. However, patients may be controlled at lower or higher doses. ","Absorption":"Rapid absorption from gastrointestinal tract. Although the rate of valproate ion absorption may vary with the formulation administered (liquid, solid, or sprinkle), conditions of use (e.g., fasting or postprandial) and the method of administration (e.g., whether the contents of the capsule are sprinkled on food or the capsule is taken intact), these differences should be of minor clinical importance under the steady state conditions achieved in chronic use in the treatment of epilepsy. Food has a greater influence on the rate of absorption of the Depakote tablet (increases Tmax from 4 to 8 hours) than on the absorption of Depakote sprinkle capsules (increase Tmax from 3.3 to 4.8 hours). Furthermore, studies suggest that total daily systemic bioavailability (extent of absorption) is the primary determinant of seizure control. ","Interactions":[{"ID":"DB00945"},{"ID":"DB06216"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB06210"},{"ID":"DB00199"},{"ID":"DB00949"},{"ID":"DB08909"},{"ID":"DB06218"},{"ID":"DB00555"},{"ID":"DB00186"},{"ID":"DB00393"},{"ID":"DB01045"},{"ID":"DB06201"},{"ID":"DB06207"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB01080"}],"Salts":[{"ID":"DBSALT000185","Name":"Valproate Semisodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00314","Name":"Capreomycin","DrugType":"small molecule","HalfLife":"","Description":"Cyclic peptide antibiotic similar to viomycin. It is produced by Streptomyces capreolus. [PubChem]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in the treatment of tuberculosis in combination with other drugs.","Toxicity":"Hypokalemia, hypocalcemia, hypomagnesemia, and an electrolyte disturbance resembling Bartter's syndrome have been reported to occur in patients with capreomycin toxicity. The subcutaneous median lethal dose (LD\u003csub\u003e50\u003c/sub\u003e) in mice was 514 mg/kg.","MechanismOfAction":"Little is known about capreomycin's exact mechanism of action, but it is thought to inhibit protein synthesis by binding to the 70S ribosomal unit. Capreomycin also binds to components in the bacterial cell which result in the production of abnormal proteins. These proteins are necessary for the bacteria's survival. Therefore the production of these abnormal proteins is ultimately fatal to the bacteria.","Pharmacodynamics":"Capreomycin is a member of the aminoglycoside family of antibiotics. These antibiotics have the ability to kill a wide variety of bacteria, including bacteria responsible for causing tuberculosis (TB).","Absorption":"Not absorbed in significant quantities from the gastrointestinal tract and must be administered parenterally.","Interactions":null,"Salts":[{"ID":"DBSALT000443","Name":"Capreomycin sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00315","Name":"Zolmitriptan","DrugType":"small molecule","HalfLife":"The mean elimination half-life of zolmitriptan and of the active N-desmethyl metabolite is 3 hours.","Description":"Zolmitriptan is a synthetic tryptamine derivative and appears as a white powder that is readily soluble in water. [Wikipedia]","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"For the acute treatment of adult migraine with or without auras.","Toxicity":"","MechanismOfAction":"Zolmitriptan binds with high affinity to human 5-HT\u003csub\u003e1B\u003c/sub\u003e and 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors leading to cranial blood vessel constriction. Current theories proposed to explain the etiology of migraine headache suggest that symptoms are due to local cranial vasodilatation and/or to the release of sensory neuropeptides (vasoactive intestinal peptide, substance P and calcitonin gene-related peptide) through nerve endings in the trigeminal system. The therapeutic activity of zolmitriptan for the treatment of migraine headache can most likely be attributed to the agonist effects at the 5HT1B/1D receptors on intracranial blood vessels (including the arterio-venous anastomoses) and sensory nerves of the trigeminal system which result in cranial vessel constriction and inhibition of pro-inflammatory neuropeptide release.","Pharmacodynamics":"Zolmitriptan is a selective agonist of serotonin (5-hydroxytryptamine; 5-HT) type 1B and 1D receptors. It is structurally and pharmacologically related to other selective 5-HT1B/1D receptor agonists, and has only a weak affinity for 5-HT\u003csub\u003e1A\u003c/sub\u003e, 5-HT\u003csub\u003e5A\u003c/sub\u003e, and 5-HT\u003csub\u003e7\u003c/sub\u003e receptors and no significant affinity or pharmacological activity at 5-HT\u003csub\u003e2\u003c/sub\u003e, 5-HT\u003csub\u003e3\u003c/sub\u003e or 5-HT\u003csub\u003e4\u003c/sub\u003e receptor subtypes or at alpha1-, alpha2-, or beta-adrenergic, dopamine1,; dopamine2; muscarinic, or benzodiazepine receptors. This action in humans correlates with the relief of migraine headache. In addition to causing vasoconstriction, experimental data from animal studies show that Zolmitriptan also activates 5-HT\u003csub\u003e1\u003c/sub\u003e receptors on peripheral terminals of the trigeminal nerve innervating cranial blood vessels, which may also contribute to the antimigrainous effect of Zolmitriptan in humans.","Absorption":"Mean absolute oral bioavailability is approximately 40%. Food has no affect on the rate and extent of absorption.","Interactions":[{"ID":"DB00918"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01200"},{"ID":"DB00490"},{"ID":"DB00248"},{"ID":"DB00215"},{"ID":"DB01242"},{"ID":"DB03225"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB00514"},{"ID":"DB00320"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00216"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00998"},{"ID":"DB00614"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00150"},{"ID":"DB00601"},{"ID":"DB01356"},{"ID":"DB00934"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB04896"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00540"},{"ID":"DB00715"},{"ID":"DB01186"},{"ID":"DB00454"},{"ID":"DB00780"},{"ID":"DB01168"},{"ID":"DB01069"},{"ID":"DB00344"},{"ID":"DB01367"},{"ID":"DB00953"},{"ID":"DB00118"},{"ID":"DB01037"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB06204"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00316","Name":"Acetaminophen","DrugType":"small molecule","HalfLife":"1 to 4 hours","Description":"Acetaminophen, also known as paracetamol, is commonly used for its analgesic and antipyretic effects. Its therapeutic effects are similar to salicylates, but it lacks anti-inflammatory, antiplatelet, and gastric ulcerative effects. ","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For temporary relief of fever, minor aches, and pains.","Toxicity":"Oral, mouse: LD50 = 338 mg/kg; Oral, rat: LD50 = 1944 mg/kg. Acetaminophen is metabolized primarily in the liver, where most of it is converted to inactive compounds by conjugation with glucuronic acid and, to a lesser extent, sulfuric acid. Conjugates are then excreted by the kidneys. Only a small portion is excreted in unchanged in urine or oxidized via the hepatic cytochrome P450 enzyme system (CYP2E1). Metabolism via CYP2E1 produces a toxic metabolite, N-acetyl-p-benzoquinoneimine (NAPQI). The toxic effects of acetaminophen are due to NAPQI, not acetaminophen itself nor any of the major metabolites. At therapeutic doses, NAPQI reacts with the sulfhydryl group of glutathione to produce a non-toxic conjugate that is excreted by the kidneys. High doses of acetaminophen may cause glutathione depletion, accumulation of NAPQI and hepatic necrosis. The maximum daily dose of acetaminophen is 4 g. Liver failure has been observed at doses as low as 6 g per day. As such, the maximum daily and single dose of acetaminophen is currently being reviewed in some countries. N-acetyl-cysteine, a precursor of glutathione, may be administered in the event of acetaminophen toxicity. ","MechanismOfAction":"Acetaminophen is thought to act primarily in the CNS, increasing the pain threshold by inhibiting both isoforms of cyclooxygenase, COX-1, COX-2, and COX-3 enzymes involved in prostaglandin (PG) synthesis. Unlike NSAIDs, acetaminophen does not inhibit cyclooxygenase in peripheral tissues and, thus, has no peripheral anti-inflammatory affects. While aspirin acts as an irreversible inhibitor of COX and directly blocks the enzyme's active site, studies have found that acetaminophen indirectly blocks COX, and that this blockade is ineffective in the presence of peroxides. This might explain why acetaminophen is effective in the central nervous system and in endothelial cells but not in platelets and immune cells which have high levels of peroxides. Studies also report data suggesting that acetaminophen selectively blocks a variant of the COX enzyme that is different from the known variants COX-1 and COX-2. This enzyme is now referred to as COX-3. Its exact mechanism of action is still poorly understood, but future research may provide further insight into how it works. The antipyretic properties of acetaminophen are likely due to direct effects on the heat-regulating centres of the hypothalamus resulting in peripheral vasodilation, sweating and hence heat dissipation. ","Pharmacodynamics":"Acetaminophen (USAN) or Paracetamol (INN) is a widely used analgesic and antipyretic drug that is used for the relief of fever, headaches, and other minor aches and pains. It is a major ingredient in numerous cold and flu medications and many prescription analgesics. It is extremely safe in standard doses, but because of its wide availability, deliberate or accidental overdoses are not uncommon. Acetaminophen, unlike other common analgesics such as aspirin and ibuprofen, has no anti-inflammatory properties or effects on platelet function, and it is not a member of the class of drugs known as non-steroidal anti-inflammatory drugs or NSAIDs. At therapeutic doses acetaminophen does not irritate the lining of the stomach nor affect blood coagulation, kidney function, or the fetal ductus arteriosus (as NSAIDs can). Like NSAIDs and unlike opioid analgesics, acetaminophen does not cause euphoria or alter mood in any way. Acetaminophen and NSAIDs have the benefit of being completely free of problems with addiction, dependence, tolerance and withdrawal. Acetaminophen is used on its own or in combination with pseudoephedrine, dextromethorphan, chlorpheniramine, diphenhydramine, doxylamine, codeine, hydrocodone, or oxycodone.","Absorption":"Rapid and almost complete","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB00619"},{"ID":"DB00951"},{"ID":"DB06655"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00640","Drugs":["DB00143","DB00316","DB03435"]},{"ID":"SMP00710","Drugs":["DB00142","DB00143","DB00316","DB01373","DB01593","DB04557"]}]},{"ID":"DB00317","Name":"Gefitinib","DrugType":"small molecule","HalfLife":"48 hours [IV administration] ","Description":"Gefitinib (originally coded ZD1839) is a drug used in the treatment of certain types of cancer. Acting in a similar manner to erlotinib (marketed as Tarceva), gefitinib selectively targets the mutant proteins in malignant cells. It is marketed by AstraZeneca under the trade name Iressa. [Wikipedia]","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For the continued treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of either platinum-based or docetaxel chemotherapies.","Toxicity":"The acute toxicity of gefitinib up to 500 mg in clinical studies has been low. In non-clinical studies, a single dose of 12,000 mg/m\u003csup\u003e2\u003c/sup\u003e (about 80 times the recommended clinical dose on a mg/m\u003csup\u003e2\u003c/sup\u003e basis) was lethal to rats. Half this dose caused no mortality in mice. Symptoms of overdose include diarrhea and skin rash.","MechanismOfAction":"Gefitinib inhibits the epidermal growth factor receptor (EGFR) tyrosine kinase by binding to the adenosine triphosphate (ATP)-binding site of the enzyme. Thus the function of the EGFR tyrosine kinase in activating the Ras signal transduction cascade is inhibited; and malignant cells are inhibited. Gefitinib is the first selective inhibitor of the EGFR tyrosine kinase which is also referred to as Her1 or ErbB-1. EGFR is overexpressed in the cells of certain types of human carcinomas - for example in lung and breast cancers. Overexpression leads to inappropriate activation of the apoptotic Ras signal transduction cascade, eventually leading to uncontrolled cell proliferation.","Pharmacodynamics":"Gefitinib inhibits the intracellular phosphorylation of numerous tyrosine kinases associated with transmembrane cell surface receptors, including the tyrosine kinases associated with the epidermal growth factor receptor (EGFR-TK). EGFR is expressed on the cell surface of many normal cells and cancer cells.","Absorption":"Absorbed slowly after oral administration with a mean bioavailability of 60%. Peak plasma levels occurs 3-7 hours post-administration. Food does not affect the bioavailability of gefitinib. ","Interactions":[{"ID":"DB01418"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB06414"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB01346"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00418"},{"ID":"DB01323"},{"ID":"DB00306"},{"ID":"DB00976"},{"ID":"DB01030"},{"ID":"DB00072"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00473","Drugs":["DB00317"]}]},{"ID":"DB00318","Name":"Codeine","DrugType":"small molecule","HalfLife":"Plasma half-lives of codeine and its metabolites have been reported to be approximately 3 hours.","Description":"An opioid analgesic related to morphine but with less potent analgesic properties and mild sedative effects. It also acts centrally to suppress cough. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For treatment and management of pain (systemic). It is also used as an antidiarrheal and as a cough suppressant.","Toxicity":"Respiratory depression, sedation and miosis and common symptoms of overdose. Other symptoms include nausea, vomiting, skeletal muscle flaccidity, bradycardia, hypotension, and cool, clammy skin. Apnea and death may ensue.","MechanismOfAction":"Opiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Codeine's analgesic activity is, most likely, due to its conversion to morphine. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Codeine, an opiate agonist in the CNS, is similar to other phenanthrene derivatives such as morphine. It is selective for the mu receptor, but with a much weaker affinity than morphine. The analgesic properties of codeine have been speculated to come from its conversion to morphine. The principle therapeutic action is analgesia. Codeine concentrations do not correlate with brain concentration or relief of pain. The minimum effective concentration is highly variable is influenced by numerous factors, including but not limited to, age, previous opioid use, age, and general medical condition. However, the effective dose for patients that have developed tolerance is significantly higher than the opioid-naive patients. ","Absorption":"Well absorbed following oral administration with a bioavailability of approximately 90%. Maximum plasma concentration occurs 60 minutes post-administration. Food does not effect the rate or extent of absorption of codeine. ","Interactions":[{"ID":"DB06274"},{"ID":"DB00501"},{"ID":"DB01341"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00857"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT001068","Name":"Codeine Hydrochloride"},{"ID":"DBSALT000030","Name":"Codeine Phosphate "},{"ID":"DBSALT000031","Name":"Codeine Sulfate "}],"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00621","Drugs":["DB00295","DB00318","DB03435"]},{"ID":"SMP00405","Drugs":["DB00295","DB00318","DB00368","DB00988","DB01345","DB01373","DB03435"]}]},{"ID":"DB00319","Name":"Piperacillin","DrugType":"small molecule","HalfLife":"36-72 minutes","Description":"Semisynthetic, broad-spectrum, ampicillin derived ureidopenicillin antibiotic proposed for pseudomonas infections. It is also used in combination with other antibiotics. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of polymicrobial infections.","Toxicity":"","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, Piperacillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Piperacillin interferes with an autolysin inhibitor.","Pharmacodynamics":"Piperacillin is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name \"penicillin\" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Piperacillin has \u003ci\u003ein vitro\u003c/i\u003e activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Piperacillin results from the inhibition of cell wall synthesis and is mediated through Piperacillin binding to penicillin binding proteins (PBPs). Piperacillin is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases.","Absorption":"Not absorbed following oral administration.","Interactions":[{"ID":"DB00732"},{"ID":"DB00618"},{"ID":"DB01135"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01336"},{"ID":"DB01017"},{"ID":"DB01226"},{"ID":"DB00595"},{"ID":"DB01337"},{"ID":"DB01338"},{"ID":"DB00728"},{"ID":"DB01301"},{"ID":"DB00202"},{"ID":"DB00759"},{"ID":"DB01199"},{"ID":"DB01339"}],"Salts":[{"ID":"DBSALT001067","Name":"Piperacillin Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00320","Name":"Dihydroergotamine","DrugType":"small molecule","HalfLife":"9 hours","Description":"A 9,10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor, specifically for the therapy of migraine disorders. [PubChem]","Classification":{"Description":"This compound belongs to the ergotamines, dihydroergotamines, and derivatives. These are organic compounds containing an ergotamine moiety, which is structurally characterized by a benzyl substituent attached to the piperazine ring of the ergopeptine backbone.","DirectParent":"Ergotamines, Dihydroergotamines, and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Ergolines and Derivatives","SubClass":"Lysergic Acids and Derivatives"},"Indication":"For the acute treatment of migraine headaches with or without aura and the acute treatment of cluster headache episodes.","Toxicity":"Side effects include abdominal pain, abnormal speech, coma, confusion, convulsions, hallucinations, increase and/or decrease in blood pressure, nausea, numbness, tingling, pain, and a bluish color of your fingersand toes, slowed breathing, vomiting","MechanismOfAction":"Two theories have been proposed to explain the efficacy of 5-HT\u003csub\u003e1D\u003c/sub\u003e receptor agonists in migraine: 1) activation of 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors located on intracranial blood vessels, including those on arterio-venous anastomoses, leads to vasoconstriction, which correlates with the relief of migraine headache and 2) activation of 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors on sensory nerve endings of the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release.","Pharmacodynamics":"Dihydroergotamine is indicated for the acute treatment of migraine headaches with or without aura and the acute treatment of cluster headache episodes. Dihydroergotamine binds with high affinity to 5-HT\u003csub\u003e1D\u003c/sub\u003ea and 5-HT\u003csub\u003e1D\u003c/sub\u003eb receptors. It also binds with high affinity to serotonin 5-HT\u003csub\u003e1A\u003c/sub\u003e, 5-HT\u003csub\u003e2A\u003c/sub\u003e, and 5-HT\u003csub\u003e2C\u003c/sub\u003e receptors, noradrenaline a2A, a2B and a receptors, and dopamine D2L and D3 receptors. The therapeutic activity of Dihydroergotamine in migraine is generally attributed to the agonist effect at 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors.","Absorption":"Interpatient variable and may be dependent on the administration technique","Interactions":[{"ID":"DB01193"},{"ID":"DB00918"},{"ID":"DB00701"},{"ID":"DB01612"},{"ID":"DB01072"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB08873"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB01211"},{"ID":"DB00705"},{"ID":"DB06700"},{"ID":"DB00625"},{"ID":"DB00216"},{"ID":"DB01613"},{"ID":"DB00199"},{"ID":"DB00187"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB00998"},{"ID":"DB00224"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00727"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB06154"},{"ID":"DB00960"},{"ID":"DB01263"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00503"},{"ID":"DB00953"},{"ID":"DB01232"},{"ID":"DB01105"},{"ID":"DB00489"},{"ID":"DB00669"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00373"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB01361"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00744"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000997","Name":"Dihydroergotamine Mesylate"},{"ID":"DBSALT001066","Name":"Dihydroergotamine Tartrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00321","Name":"Amitriptyline","DrugType":"small molecule","HalfLife":"10 to 50 hours, with an average of 15 hours","Description":"Amitriptyline hydrochloride is a dibenzocycloheptene-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, amitriptyline does not affect mood or arousal, but may cause sedation. In depressed individuals, amitriptyline exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as amitriptyline, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline. TCAs also down-regulate cerebral cortical \u0026beta;-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H\u003csub\u003e1\u003c/sub\u003e receptors, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Amitriptyline may be used to treat depression, chronic pain (unlabeled use), irritable bowel syndrome (unlabeled use), diabetic neuropathy (unlabeled use), post-traumatic stress disorder (unlabeled use), and for migraine prophylaxis (unlabeled use). ","Classification":{"Description":"This compound belongs to the dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring.","DirectParent":"Dibenzocycloheptenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Dibenzocycloheptenes","SubClass":""},"Indication":"For the treatment of depression, chronic pain, irritable bowel syndrome, sleep disorders, diabetic neuropathy, agitation and insomnia, and migraine prophylaxis. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=350 mg/kg (in mice). Symptoms of overdose include abnormally low blood pressure, confusion, convulsions, dilated pupils and other eye problems, disturbed concentration, drowsiness, hallucinations, impaired heart function, rapid or irregular heartbeat, reduced body temperature, stupor, and unresponsiveness or coma.\r\nSide effects include: sedation, hypotension, blurred vision, dry mouth, constipation, urinary retention, postural hypotension, tachycardia, hypertension, ECG changes, heart failure, impaired memory and delirium, and precipitation of hypomanic or manic episodes in bipolar depression. \r\nWithdrawal symptoms include gastrointestinal disturbances, anxiety, and insomnia. \r\n","MechanismOfAction":"Amitriptyline is metabolized to nortriptyline which inhibits the reuptake of norepinephrine and serotonin almost equally. Amitriptyline inhibits the membrane pump mechanism responsible for uptake of norepinephrine and serotonin in adrenergic and serotonergic neurons. Pharmacologically this action may potentiate or prolong neuronal activity since reuptake of these biogenic amines is important physiologically in terminating transmitting activity. This interference with the reuptake of norepinephrine and/or serotonin is believed by some to underlie the antidepressant activity of amitriptyline.","Pharmacodynamics":"Amitriptyline, a tertiary amine tricyclic antidepressant, is structurally related to both the skeletal muscle relaxant cyclobenzaprine and the thioxanthene antipsychotics such as thiothixene. It is extremely sedating, and thus improvement of sleep patterns can be the first benefit of treatment. Amitriptyline exhibits strong anticholinergic activity, cardiovascular effects including orthostatic hypotension, changes in heart rhythm and conduction, and a lowering of the seizure threshold. As with other antidepressants, several weeks of therapy may be required in order to realize the full clinical benefit of amitriptyline. Although not a labelled indication, amitriptyline is widely used in the management of chronic nonmalignant pain (e.g., post-herpetic neuralgia, fibromyalgia).","Absorption":"Rapidly and well absorbed following oral administration (bioavailability is 30-60% due to first pass metabolism). Peak plasma concentrations occur 2-12 hours following oral or intramuscular administration. ","Interactions":[{"ID":"DB00488"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB01341"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB00476"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB05039"},{"ID":"DB06704"},{"ID":"DB01247"},{"ID":"DB01064"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB01365"},{"ID":"DB00933"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB01171"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB00780"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01001"},{"ID":"DB01105"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000009","Name":"Amitriptyline Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00322","Name":"Floxuridine","DrugType":"small molecule","HalfLife":"","Description":"An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection. Floxuridine is available as a sterile, nonpyrogenic, lyophilized powder for reconstitution. When administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For palliative management of gastrointestinal adenocarcinoma metastatic to the liver, when given by continuous regional intra-arterial infusion in carefully selected patients who are considered incurable by surgery or other means. Also for the palliative management of liver cancer (usually administered by hepatic intra-arterial infusion).","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 215 mg/kg. Signs of overdose include nausea, vomiting, diarrhea, gastrointestinal ulceration and bleeding, and bone marrow depression (including thrombocytopenia, leukopenia and agranulocytosis).","MechanismOfAction":"Floxuridine is rapidly catabolized to 5-fluorouracil, which is the active form of the drug. The primary effect is interference with DNA synthesis and to a lesser extent, inhibition of RNA formation through the drug's incorporation into RNA, thus leading to the production of fraudulent RNA. Fluorouracil also inhibits uracil riboside phophorylase, which prevents the utilization of preformed uracil in RNA synthesis. As well, the monophosphate of floxuridine, 5-fluoro-2'-deoxyuridine-5'-phosphate (FUDR-MP) inhibits the enzyme thymidylate synthetase. This leads to the inhibition of methylation of deoxyuridylic acid to thymidylic acid, thus interfering with DNA synthesis.","Pharmacodynamics":"Floxuridine is a pyrimidine analog that acts as an inhibitor of the S-phase of cell division. This selectively kills rapidly dividing cells. Floxuridine is an anti-metabolite. Anti-metabolites masquerade as pyramidine-like molecules which prevents normal pyrimidines from being incorporated into DNA during the S phase of the cell cycle. Flurouracil (the end-product of catabolism of floxuridine) blocks an enzyme which converts cytosine nucleosides into the deoxy derivative. In addition, DNA synthesis is further inhibited because fluoruracil blocks the incorporation of the thymdine nucleotide into the DNA strand.","Absorption":"","Interactions":[{"ID":"DB00675"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00072"},{"ID":"DB00440"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00323","Name":"Tolcapone","DrugType":"small molecule","HalfLife":"2-3.5 hours","Description":"Tolcapone is a drug that inhibits the enzyme catechol-O-methyl transferase (COMT). It is used in the treatment of Parkinson's disease as an adjunct to levodopa/carbidopa medication. It is a yellow, odorless, non-hygroscopic, crystalline compound. Tolcapone is associated with a risk of hepatotoxicity. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"Used as an adjunct to levodopa/carbidopa therapy for the symptomatic treatment of Parkinson's Disease. This drug is generally reserved for patients with parkinsonian syndrome receiving levodopa/carbidopa who are experiencing symptom fluctuations and are not responding adequately to or are not candidates for other adjunctive therapies.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 1600 mg/kg (Orally in rats)","MechanismOfAction":"The precise mechanism of action of tolcapone is unknown, but it is believed to be related to its ability to inhibit COMT and alter the plasma pharmacokinetics of levodopa, resulting in an increase in plasma levodopa concentrations. The inhibition of COMT also causes a reduction in circulating 3-OMD as a result of decreased peripheral metabolism of levodopa. This may lead to an increase distribution of levodopa into the CNS through the reduction of its competitive substrate, 3-OMD, for transport mechanisms. Sustained levodopa concentrations presumably result in more consistent dopaminergic stimulation, resulting in greater reduction in the manifestations of parkinsonian syndrome.","Pharmacodynamics":"Tolcapone is a potent, selective, and reversible inhibitor of catechol-O-methyltransferase (COMT). In humans, COMT is distributed throughout various organs. COMT catalyzes the transfer of the methyl group of S-adenosyl-L-methionine to the phenolic group of substrates that contain a catechol structure. Physiological substrates of COMT include dopa, catecholamines (dopamine, norepinephrine, epinephrine) and their hydroxylated metabolites. The function of COMT is the elimination of biologically active catechols and some other hydroxylated metabolites. COMT is responsible for the elimination of biologically active catechols and some other hydroxylated metabolites. In the presence of a decarboxylase inhibitor, COMT becomes the major metabolizing enzyme for levodopa catalyzing it to 3-methoxy-4-hydroxy-L-phenylalanine (3-OMD) in the brain and periphery. When tolcapone is given in conjunction with levodopa and an aromatic amino acid decarboxylase inhibitor, such as carbidopa, plasma levels of levodopa are more sustained than after administration of levodopa and an aromatic amino acid decarboxylase inhibitor alone. It is believed that these sustained plasma levels of levodopa result in more constant dopaminergic stimulation in the brain, leading to greater effects on the signs and symptoms of Parkinson's disease in patients as well as increased levodopa adverse effects, sometimes requiring a decrease in the dose of levodopa.","Absorption":"Rapidly absorbed (absolute bioavailability is about 65%)","Interactions":[{"ID":"DB00614"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB01171"},{"ID":"DB00780"},{"ID":"DB01168"},{"ID":"DB01367"},{"ID":"DB01037"},{"ID":"DB00752"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00324","Name":"Fluorometholone","DrugType":"small molecule","HalfLife":"","Description":"A glucocorticoid employed, usually as eye drops, in the treatment of allergic and inflammatory conditions of the eye. It has also been used topically in the treatment of various skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732)","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the ophthalmic treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe.","Toxicity":"Side effects may include acute anterior uveitis and perforation of the globe. Keratitis, conjunctivitis, corneal ulcers, mydriasis, conjunctival hyperemia, loss of accommodation and ptosis have occasionally been reported following local use of corticosteroids. LD\u003csub\u003e50\u003c/sub\u003e = 234 mg/kg (rats)","MechanismOfAction":"There is no generally accepted explanation for the mechanism of action of ocular corticosteroids. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor, arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. Their primary target is the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes.","Pharmacodynamics":"Corticosteroids such as fluorometholone inhibit the inflammatory response to a variety of inciting agents and probably delay or slow healing. They inhibit the edema, fibrin deposition, capillary dilation, leukocyte migration, capillary proliferation, fibroblast proliferation, deposition of collagen, and scar formation associated with inflammation.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001065","Name":"Fluorometholone Acetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00325","Name":"Nitroprusside","DrugType":"small molecule","HalfLife":"Approximately 2 minutes","Description":"Nitroprusside serves as a source of nitric oxide, a potent peripheral vasodilator that affects both arterioles and venules (venules more than arterioles). Nitroprusside is often administered intravenously to patients who are experiencing a hypertensive emergency. [Wikipedia]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For immediate reduction of blood pressure of patients in hypertensive crises, reduce bleeding during surgery, and for the treatment of acute congestive heart failure","Toxicity":"Overdosage of nitroprusside can be manifested as excessive hypotension or cyanide toxicity or as thiocyanate toxicity. The acute intravenous mean lethal doses (LD\u003csub\u003e50\u003c/sub\u003e) of nitroprusside in rabbits, dogs, mice, and rats are 2.8, 5.0, 8.4, and 11.2 mg/kg, respectively.","MechanismOfAction":"One molecule of sodium nitroprusside is metabolized by combination with hemoglobin to produce one molecule of cyanmethemoglobin and four CN- ions; methemoglobin, obtained from hemoglobin, can sequester cyanide as cyanmethemoglobin; thiosulfate reacts with cyanide to produce thiocyanate; thiocyanate is eliminated in the urine; cyanide not otherwise removed binds to cytochromes. Cyanide ion is normally found in serum; it is derived from dietary substrates and from tobacco smoke. Cyanide binds avidly (but reversibly) to ferric ion (Fe+++), most body stores of which are found in erythrocyte methemoglobin (metHgb) and in mitochondrial cytochromes. When CN is infused or generated within the bloodstream, essentially all of it is bound to methemoglobin until intraerythrocytic methemoglobin has been saturated.\r\nOnce activated to NO, it activates guanylate cyclase in vascular smooth muscle and increases intracellular production of cGMP. cGMP stimulates calcium movement from the cytoplasm to the endoplasmic reticulum and reduces calcium available to bind with calmodulin. This eventually leads to vascular smooth muscle relaxation and vessel dilatation.","Pharmacodynamics":"Nitroprusside a powerful vasodilator relaxes the vascular smooth muscle and produce consequent dilatation of peripheral arteries and veins. Other smooth muscle (e.g., uterus, duodenum) is not affected. Sodium nitroprusside is more active on veins than on arteries.","Absorption":"","Interactions":[{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000839","Name":"Sodium nitroprusside"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00326","Name":"Calcium Gluceptate","DrugType":"small molecule","HalfLife":"","Description":"Calcium supplements such as calcium gluceptate are taken by individuals who are unable to get enough calcium in their regular diet or who have a need for more calcium. They are used to prevent or treat several conditions that may cause hypocalcemia (not enough calcium in the blood). The body needs calcium to make strong bones. Calcium is also needed for the heart, muscles, and nervous system to work properly.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For treatment of mild hypocalcemia due to neonatal tetany, tetany due to parathyroid deficiency or vitamin D deficiency, and alkalosis, as prophylaxis of hypocalcemia during exchange transfusions, in the treatment of intestinal malabsorption, and to replenish electrolytes.","Toxicity":"Symptoms of overdose include confusion, drowsiness (severe), high blood pressure, increased sensitivity of eyes or skin to light, irregular, fast, or slow heartbeat, and unusually large amount of urine or increased frequency of urination.","MechanismOfAction":"Calcium gluceptate replenishes the deminished levels of calcium in the body, returning them to normal levels.","Pharmacodynamics":"Calcium supplements such as calcium gluceptate are taken by individuals who are unable to get enough calcium in their regular diet or who have a need for more calcium. They are used to prevent or treat several conditions that may cause hypocalcemia (not enough calcium in the blood). The body needs calcium to make strong bones. Calcium is also needed for the heart, muscles, and nervous system to work properly. The bones serve as a storage site for the body's calcium. They are continuously giving up calcium to the bloodstream and then replacing it as the body's need for calcium changes from day to day. When there is not enough calcium in the blood to be used by the heart and other organs, your body will take the needed calcium from the bones. When you eat foods rich in calcium, the calcium will be restored to the bones and the balance between your blood and bones will be maintained.","Absorption":"Rapidly absorbed following oral administration.","Interactions":[{"ID":"DB00685"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00327","Name":"Hydromorphone","DrugType":"small molecule","HalfLife":"2.6 hours (oral); 18.6 hours for sustained release Palladone","Description":"An opioid analgesic derived from morphine and used mainly as an analgesic. It has a shorter duration of action and is more potent than morphine. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the relief of moderate to severe pain such as that due to surgery, cancer, trauma/injury, or burns.","Toxicity":"Hydromorphone is a schedule II narcotic which can lead to physical dependence or addiction. High doses lead to respiratory depression, nausea, and vomiting. Overdoses lead to extreme somnolence progressing to stupor or coma, skeletal muscle flaccidity, cold and clammy skin, and sometimes bradycardia and hypotension. In severe overdosage, apnea, circulatory collapse, cardiac arrest and death may occur.","MechanismOfAction":"Hydromorphone is a narcotic analgesic; its principal therapeutic effect is relief of pain. Hydromorphone interacts predominantly with the opioid mu-receptors. These mu-binding sites are discretely distributed in the human brain, with high densities in the posterior amygdala, hypothalamus, thalamus, nucleus caudatus, putamen, and certain cortical areas. They are also found on the terminal axons of primary afferents within laminae I and II (substantia gelatinosa) of the spinal cord and in the spinal nucleus of the trigeminal nerve. In clinical settings, Hydromorphone exerts its principal pharmacological effect on the central nervous system and gastrointestinal tract. Hydromorphone also binds with kappa-receptors which are thought to mediate spinal analgesia, miosis and sedation.","Pharmacodynamics":"Hydromorphone is a hydrogenated ketone derivative of morphine that acts as a narcotic analgesic. It has a shorter duration of action than morphine. Hydromorphone is approximately 8 times more potent on a milligram basis than morphine. In addition, hydromorphone is better absorbed orally than is morphine. In clinical settings, Hydromorphone exerts its principal pharmacological effect on the central nervous system and gastrointestinal tract. Its primary actions of therapeutic value are analgesia and sedation. Hydromorphone appears to increase the patient's tolerance for pain and to decrease discomfort, although the presence of the pain itself may still be recognized. In addition to analgesia, alterations in mood, euphoria and dysphoria, and drowsiness commonly occur. Opioids also produce respiratory depression by direct action on brain stem respiratory centers.","Absorption":"Better absorbed orally than morphine","Interactions":[{"ID":"DB06274"},{"ID":"DB06210"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000444","Name":"Hydromorphone Hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00410","Drugs":["DB00327","DB00368","DB00988","DB01345","DB01373"]}]},{"ID":"DB00328","Name":"Indomethacin","DrugType":"small molecule","HalfLife":"4.5 hours","Description":"Indomethacin is a non-steroidal antiinflammatory agent (NSAIA) with antiinflammatory, analgesic and antipyretic activity. Its pharmacological effect is thought to be mediated through inhibition of the enzyme cyclooxygenase (COX), the enzyme responsible for catalyzes the rate-limiting step in prostaglandin synthesis via the arachidonic acid pathway. ","Classification":{"Description":"This compound belongs to the benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moeity through the acyl group.","DirectParent":"Benzoylindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Benzoylindoles"},"Indication":"For moderate to severe rheumatoid arthritis including acute flares of chronic disease, ankylosing spondylitis, osteoarthritis, acute painful shoulder (bursitis and/or tendinitis) and acute gouty arthritis.","Toxicity":"The following symptoms may be observed following overdosage: nausea, vomiting, intense headache, dizziness, mental confusion, disorientation, or lethargy. There have been reports of paresthesias, numbness, and convulsions. The oral LD\u003csub\u003e50\u003c/sub\u003e of indomethacin in mice and rats (based on 14 day mortality response) was 50 and 12 mg/kg, respectively.","MechanismOfAction":"Indomethacin is a prostaglandin G/H synthase (also known as cyclooxygenase or COX) inhibitor that acts on both prostaglandin G/H synthase 1 and 2 (COX-1 and -2). Prostaglandin G/H synthase catalyzes the conversion of arachidonic acid to a number of prostaglandins involved in fever, pain, swelling, inflammation, and platelet aggregation. Indomethacin antagonizes COX by binding to the upper portion of the active site, preventing its substrate, arachidonic acid, from entering the active site. Indomethacin, unlike other NSAIDs, also inhibits phospholipase A2, the enzyme responsible for releasing arachidonic acid from phospholipids. Indomethacin is more selective for COX-1 than COX-2, which accounts for its increased adverse gastric effects relative to other NSAIDs. COX-1 is required for maintaining the protective gastric mucosal layer. The analgesic, antipyretic and anti-inflammatory effects of indomethacin occur as a result of decreased prostaglandin synthesis. Its antipyretic effects may be due to action on the hypothalamus, resulting in an increased peripheral blood flow, vasodilation, and subsequent heat dissipation.","Pharmacodynamics":"Indomethacin, a NSAIA, with analgesic and antipyretic properties exerts its pharmacological effects by inhibiting the synthesis of prostaglandins involved in pain, fever, and inflammation. Indomethacin inhibits the catalytic activity of the COX enzymes, the enzymes responsible for catalyzing the rate-limiting step in prostaglandin synthesis via the arachidonic acid pathway. Indomethacin is known to inhibit two well-characterized isoforms of COX, COX-1 and COX-2, with greater selectivity for COX-1. COX-1 is a constitutively expressed enzyme that is involved in gastric mucosal protection, platelet and kidney function. It catalyzes the conversion of arachidonic acid to prostaglandin (PG) G2 and PGG2 to PGH2. COX-1 is involved in the synthesis pathways of PGE2, PGD2, PDF2a, PGI2 (also known as prostacyclin) and thromboxane A2 (TXA2). COX-2 is constitutively expressed and highly inducible by inflammatory stimuli. It is found in the central nervous system, kidneys, uterus and other organs. It also catalyzes the conversion of arachidonic acid to PGG2 and PGG2 to PGH2. In the COX-2-mediated pathway, PGH2 is subsequently converted to PGE2 and PGI2 (also known as prostacyclin). PGE2 is involved in mediating inflammation, pain and fever. Decreasing levels of PGE2 leads to decreased inflammation.","Absorption":"Bioavailability is approximately 100% following oral administration and 80–90% following rectal administration.","Interactions":[{"ID":"DB01193"},{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB00335"},{"ID":"DB08822"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00887"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB00861"},{"ID":"DB06210"},{"ID":"DB00187"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB01381"},{"ID":"DB00040"},{"ID":"DB00598"},{"ID":"DB01356"},{"ID":"DB00678"},{"ID":"DB00563"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB06813"},{"ID":"DB01032"},{"ID":"DB00571"},{"ID":"DB00489"},{"ID":"DB00675"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00384"},{"ID":"DB00440"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00104","Drugs":["DB00142","DB00143","DB00328","DB01373","DB01593","DB04557"]}]},{"ID":"DB00330","Name":"Ethambutol","DrugType":"small molecule","HalfLife":"In patients with normal renal function, 3 to 4 hours. In patients with impaired renal function, up to 8 hours.","Description":"An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863)","Classification":{"Description":"This compound belongs to the 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.","DirectParent":"1,2-Aminoalcohols","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Alkanolamines"},"Indication":"For use, as an adjunct, in the treatment of pulmonary tuberculosis.","Toxicity":"The most commonly recognized toxic effect of ethambutol is optic neuropathy, which generally is considered uncommon and reversible in medical literature. Other side effects that have been observed are pruritus, joint pain, gastrointestinal upset, abdominal pain, malaise, headache, dizziness, mental confusion, disorientation, and possible hallucinations.","MechanismOfAction":"Ethambutol inhibits arabinosyl transferases which is involved in cell wall biosynthesis. By inhibiting this enzyme, the bacterial cell wall complex production is inhibited. This leads to an increase in cell wall permeability.","Pharmacodynamics":"Ethambutol is an oral chemotherapeutic agent which is specifically effective against actively growing microorganisms of the genus Mycobacterium, including \u003ci\u003eM. tuberculosis\u003c/i\u003e. Ethambutol inhibits RNA synthesis and decreases tubercle bacilli replication. Nearly all strains of \u003ci\u003eM. tuberculosis\u003c/i\u003e and \u003ci\u003eM. kansasii\u003c/i\u003e as well as a number of strains of MAC are sensitive to ethambutol.","Absorption":"About 75% to 80% of an orally administered dose of ethambutol is absorbed from the gastrointestinal tract.","Interactions":null,"Salts":[{"ID":"DBSALT000446","Name":"Ethambutol Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00331","Name":"Metformin","DrugType":"small molecule","HalfLife":"6.2 hours. Duration of action is 8-12 hours. ","Description":"Metformin is a biguanide antihyperglycemic agent used for treating non-insulin-dependent diabetes mellitus (NIDDM). It improves glycemic control by decreasing hepatic glucose production, decreasing glucose absorption and increasing insulin-mediated glucose uptake. Metformin is the only oral antihyperglycemic agent that is not associated with weight gain. Metformin may induce weight loss and is the drug of choice for obese NIDDM patients. When used alone, metformin does not cause hypoglycemia; however, it may potentiate the hypoglycemic effects of sulfonylureas and insulin. Its main side effects are dyspepsia, nausea and diarrhea. Dose titration and/or use of smaller divided doses may decrease side effects. Metformin should be avoided in those with severely compromised renal function (creatinine clearance \u003c 30 ml/min), acute/decompensated heart failure, severe liver disease and for 48 hours after the use of iodinated contrast dyes due to the risk of lactic acidosis. Lower doses should be used in the elderly and those with decreased renal function. Metformin decreases fasting plasma glucose, postprandial blood glucose and glycosolated hemoglobin (HbA1c) levels, which are reflective of the last 8-10 weeks of glucose control. Metformin may also have a positive effect on lipid levels. In 2012, a combination tablet of linagliptin plus metformin hydrochloride was marketed under the name Jentadueto for use in patients when treatment with both linagliptin and metformin is appropriate.","Classification":{"Description":"This compound belongs to the biguanides. These are organic compounds containing two N-linked guanidines.","DirectParent":"Biguanides","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":"Biguanides"},"Indication":"For use as an adjunct to diet and exercise in adult patients (18 years and older) with NIDDM. May also be used for the management of metabolic and reproductive abnormalities associated with polycystic ovary syndrome (PCOS). Jentadueto is for the treatment of patients when both linagliptin and metformin is appropriate.","Toxicity":"Acute oral toxicity (LD\u003csub\u003e50\u003c/sub\u003e): 350 mg/kg [Rabbit]. It would be expected that adverse reactions of a more intense character including epigastric discomfort, nausea, and vomiting followed by diarrhea, drowsiness, weakness, dizziness, malaise and headache might be seen.","MechanismOfAction":"Metformin's mechanisms of action differ from other classes of oral antihyperglycemic agents. Metformin decreases blood glucose levels by decreasing hepatic glucose production, decreasing intestinal absorption of glucose, and improving insulin sensitivity by increasing peripheral glucose uptake and utilization. These effects are mediated by the initial activation by metformin of AMP-activated protein kinase (AMPK), a liver enzyme that plays an important role in insulin signaling, whole body energy balance, and the metabolism of glucose and fats. Activation of AMPK is required for metformin's inhibitory effect on the production of glucose by liver cells. Increased peripheral utilization of glucose may be due to improved insulin binding to insulin receptors. Metformin administration also increases AMPK activity in skeletal muscle. AMPK is known to cause GLUT4 deployment to the plasma membrane, resulting in insulin-independent glucose uptake. The rare side effect, lactic acidosis, is thought to be caused by decreased liver uptake of serum lactate, one of the substrates of gluconeogenesis. In those with healthy renal function, the slight excess is simply cleared. However, those with severe renal impairment may accumulate clinically significant serum lactic acid levels. Other conditions that may precipitate lactic acidosis include severe hepatic disease and acute/decompensated heart failure.\r\n","Pharmacodynamics":"Metformin is an oral antihyperglycemic agent that improves glucose tolerance in patients with NIDDM, lowering both basal and postprandial plasma glucose. Metformin is not chemically or pharmacologically related to any other class of oral antihyperglycemic agents. Unlike sulfonylureas, metformin does not produce hypoglycemia in either patients with NIDDM or healthy subjects and does not cause hyperinsulinemia. Metformin does not affect insulin secretion. ","Absorption":"Absorbed over 6 hours, bioavailability is 50 to 60% under fasting conditions. Administration with food decreases and delays absorption. Some evidence indicates that the level of absorption is not dose-related, suggesting that absorption occurs through a saturable process. Limited data from animal and human cell cultures indicate that absorption occurs through a passive, non-saturable process, possibly involving a paracellular route. Peak action occurs 3 hours after oral administration. ","Interactions":[{"ID":"DB00501"},{"ID":"DB01296"},{"ID":"DB00052"}],"Salts":[{"ID":"DBSALT000114","Name":"Metformin Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00332","Name":"Ipratropium bromide","DrugType":"small molecule","HalfLife":"2-4 hours after administration orally, IV or by oral inhalation (radiolabeled ipratropium bromide assay measures parent drug and its metabolites). Using a radioreceptor assay that measures only unchanged ipratropium bromide, the initial distribution-phase half-life (t\u003csub\u003e1/2 \u0026alpha;\u003c/sub\u003e) and terminal elimination-phase half-life (t\u003csub\u003e1/2 \u0026beta;\u003c/sub\u003e) were 0.07 and 1.6 hours, respectively, following a single 2 mg IV dose of the drug in healthy adults. ","Description":"A muscarinic antagonist structurally related to atropine but often considered safer and more effective for inhalation use. It is used for various bronchial disorders, in rhinitis, and as an antiarrhythmic. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease, including chronic bronchitis and emphysema.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1001mg/kg (orally in mice)","MechanismOfAction":"Ipratropium bromide is an anticholinergic agent. It blocks muscarinic cholinergic receptors, without specificity for subtypes, resulting in a decrease in the formation of cyclic guanosine monophosphate (cGMP). Most likely due to actions of cGMP on intracellular calcium, this results in decreased contractility of smooth muscle.","Pharmacodynamics":"Ipratropium bromide, a synthetic ammonium compound structurally similar to atropine, is used as a bronchodilator in the management of cholinergic-mediated bronchospasm associated with chronic obstructive pulmonary disease and in the treatment of rhinorrhea associated with the common cold or with allergic or nonallergic seasonal rhinitis.","Absorption":"Inhalation (local)-minimal; Nasal-rapid and minimal","Interactions":[{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000208","Name":"Ipratropium bromide monohydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00333","Name":"Methadone","DrugType":"small molecule","HalfLife":"24-36 hours","Description":"A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of morphine. It also has a depressant action on the cough center and may be given to control intractable cough associated with terminal lung cancer. Methadone is also used as part of the treatment of dependence on opioid drugs, although prolonged use of methadone itself may result in dependence. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3).\r\n\r\nIn Australia methadone is a Schedule 8 (controlled) drug.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of dry cough, drug withdrawal syndrome, opioid type drug dependence, and pain.","Toxicity":"In severe overdosage, particularly by the intravenous route, apnea, circulatory collapse, cardiac arrest, and death may occur.","MechanismOfAction":"Methadone is a mu-agonist; a synthetic opioid analgesic with multiple actions qualitatively similar to those of morphine, the most prominent of which involves the central nervous system and organs composed of smooth muscle. The principal therapeutic uses for methadone are for analgesia and for detoxification or maintenance in opioid addiction. The methadone abstinence syndrome, although qualitatively similar to that of morphine, differs in that the onset is slower, the course is more prolonged, and the symptoms are less severe. Some data also indicate that methadone acts as an antagonist at the N-methyl-D-aspartate (NMDA) receptor. The contribution of NMDA receptor antagonism to methadone's efficacy is unknown. Other NMDA receptor antagonists have been shown to produce neurotoxic effects in animals.","Pharmacodynamics":"Methadone is a synthetic opioid analgesic with multiple actions quantitatively similar to those at morphine, the most prominent of which involve the central nervous system and organs composed of smooth muscle. However, Methadone is more active and more toxic than morphine. Methadone is indicated for relief of severe pain, for detoxification treatment of narcotic addiction, and for temporary maintenance treatment of narcotic addiction. The principal actions of therapeutic value are analgesia and sedation and detoxification or temporary maintenance in narcotic addiction. The Methadone abstinence syndrome, although qualitatively similar to that of morphine, differs in that the onset is slower, the course is more prolonged, and the symptoms are less severe.","Absorption":"Well absorbed following oral administration. The bioavailability of methadone ranges between 36 to 100%.","Interactions":[{"ID":"DB06274"},{"ID":"DB01351"},{"ID":"DB00701"},{"ID":"DB01352"},{"ID":"DB06697"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB01341"},{"ID":"DB00625"},{"ID":"DB06210"},{"ID":"DB00754"},{"ID":"DB06414"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB06708"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB01346"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB08864"},{"ID":"DB00503"},{"ID":"DB00418"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00306"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00599"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00495"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000346","Name":"Methadone Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00624","Drugs":["DB00333"]},{"ID":"SMP00408","Drugs":["DB00333","DB00368","DB00988","DB01345","DB01373"]}]},{"ID":"DB00334","Name":"Olanzapine","DrugType":"small molecule","HalfLife":"21 to 54 hours","Description":"Olanzapine is an atypical antipsychotic, approved by the FDA in 1996. Olanzapine is manufactured and marketed by the pharmaceutical company Eli Lilly and Company, whose patent for olanzapine proper ends in 2011.","Classification":{"Description":"This compound belongs to the thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring.","DirectParent":"Thienodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienodiazepines","SubClass":""},"Indication":"For the acute and maintenance treatment of schizophrenia and related psychotic disorders, as well as acute treatment of manic or mixed episodes of bipolar 1 disorder. Intramuscular olanzapine is indicated for the rapid control of agitated patients.","Toxicity":"Symptoms of an overdose include tachycardia, agitation, dysarthria, decreased consciousness and coma. Death has been reported after an acute overdose of 0.45g, but also survival after an acute overdose of 1500g.","MechanismOfAction":"Olanzapine's antipsychotic activity is likely due to a combination of antagonism at D2 receptors in the mesolimbic pathway and 5HT2A receptors in the frontal cortex. Antagonism at D2 receptors relieves positive symptoms while antagonism at 5HT2A receptors relieves negative symptoms of schizophrenia.","Pharmacodynamics":"Olanzapine, an atypical antipsychotic agent, is used to treat both negative and positive symptoms of schizophrenia, acute mania with bipolar disorder, agitation, and psychotic symptoms in dementia. Future uses may include the treatment of obsessive-compulsive disorder and severe behavioral disorders in autism. Structurally and pharmacologically similar to clozapine, olanzapine binds to alpha(1), dopamine, histamine H1, muscarinic, and serotonin type 2 (5-HT\u003csub\u003e2\u003c/sub\u003e) receptors.","Absorption":"Well absorbed, with approximately 40% of the dose metabolized before reaching the systemic circulation.","Interactions":[{"ID":"DB00843"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB04844"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT001064","Name":"Olanzapine pamoate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00335","Name":"Atenolol","DrugType":"small molecule","HalfLife":"6-7 hours","Description":"A cardioselective beta-adrenergic blocker possessing properties and potency similar to propranolol, but without a negative inotropic effect. [PubChem]","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the management of hypertention and long-term management of patients with angina pectoris","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=2000-3000 mg/kg(orally in mice). Symptoms of an atenolol overdose include a slow heart beat, shortness of breath, fainting, dizziness, weakness, confusion, nausea, and vomiting.","MechanismOfAction":"Like metoprolol, atenolol competes with sympathomimetic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart and vascular smooth muscle, inhibiting sympathetic stimulation. This results in a reduction in resting heart rate, cardiac output, systolic and diastolic blood pressure, and reflex orthostatic hypotension. Higher doses of atenolol also competitively block beta(2)-adrenergic responses in the bronchial and vascular smooth muscles.","Pharmacodynamics":"Atenolol, a competitive beta(1)-selective adrenergic antagonist, has the lowest lipid solubility of this drug class. Although it is similar to metoprolol, atenolol differs from pindolol and propranolol in that it does not have intrinsic sympathomimetic properties or membrane-stabilizing activity. Atenolol is used alone or with chlorthalidone in the management of hypertension and edema.","Absorption":"Approximately 50% of an oral dose is absorbed from the gastrointestinal tract, the remainder being excreted unchanged in the feces.","Interactions":[{"ID":"DB00414"},{"ID":"DB00415"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01050"},{"ID":"DB05039"},{"ID":"DB00328"},{"ID":"DB01306"},{"ID":"DB01307"},{"ID":"DB00047"},{"ID":"DB01309"},{"ID":"DB00046"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB01366"},{"ID":"DB00912"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00336","Name":"Nitrofural","DrugType":"small molecule","HalfLife":"5 hours","Description":"A topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial wounds, burns, ulcers, and skin infections. Nitrofurazone has also been administered orally in the treatment of trypanosomiasis. [PubChem]","Classification":{"Description":"This compound belongs to the nitrofurans. These are compounds containing a furan ring which bears a nitro group.","DirectParent":"Nitrofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Nitrofurans"},"Indication":"For the treatement of bacterial skin infections including pyodermas, infected dermatoses and infections of cuts, wounds, burns and ulcers due to susceptible organisms.","Toxicity":"Rat LD\u003csub\u003e50\u003c/sub\u003e = 590 mg/kg; Allergic contact dermatitis is the most frequently reported adverse effect, occurring in approximately 1 % of patients treated.","MechanismOfAction":"The exact mechanism of action is unknown. Nitrofurazone inhibits several bacterial enzymes, especially those involved in the aerobic and anaerobic degradation of glucose and pyruvate. This activity is believed also to affect pyruvate dehydrogenase, citrate synthetase, malate dehydrogenase, glutathione reductase, and pyruvate decarboxylase.","Pharmacodynamics":"Nitrofurazone is a topical antibacterial agent indicated as an adjunctive therapy for second and third degree burns when resistance to other agents is a real or potential problem. Nitrofurazone is also indicated in skin grafting when bacterial contamination may cause graft rejection or donor site infection, especially in hospitals with a history of resistant bacteria.","Absorption":"Well absorbed.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00337","Name":"Pimecrolimus","DrugType":"small molecule","HalfLife":"","Description":"Pimecrolimus is an immunomodulating agent used in the treatment of atopic dermatitis (eczema). It is currently available as a topical cream, once marketed by Novartis, (however Galderma will be promoting the molecule in Canada in early 2007) under the trade name Elidel. [Wikipedia]","Classification":{"Description":"This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.","DirectParent":"Macrolide Lactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolide Lactams","SubClass":""},"Indication":"For treatment of mild to moderate atopic dermatitis.","Toxicity":"Side effects include burning sensation, irritation, pruritus, erythema, and skin infections, at the application site.","MechanismOfAction":"Pimecrolimus binds with high affinity to macrophilin-12 (FKBP-12) and inhibits the calcium-dependent phosphatase, calcineurin. As a consequence, it inhibits T cell activation by blocking the transcription of early cytokines. In particular, pimecrolimus inhibits at nanomolar concentrations Interleukin-2 and interferon gamma (Th1-type) and Interleukin-4 and Interleukin-10 (Th2-type) cytokine synthesis in human T cells. Also, pimecrolimus prevents the release of inflammatory cytokines and mediators from mast cells in vitro after stimulation by antigen/lgE.","Pharmacodynamics":"Pimecrolimus is a chemical that is used to treat atopic dermatitis (eczema). Atopic dermatitis is a skin condition characterized by redness, itching, scaling and inflammation of the skin. The cause of atopic dermatitis is not known; however, scientists believe that it may be due to activation of the immune system by various environmental or emotional triggers. Scientists do not know exactly how pimecrolimus reduces the manifestations of atopic dermatitis, but pimecrolimus reduces the action of T-cells and mast cells which are part of the immune system and contribute to responses of the immune system. Pimecrolimus prevents the activation of T-cells by blocking the effects of chemicals (cytokines) released by the body that stimulate T-cells. Pimecrolimus also reduces the ability of mast cells to release chemicals that promote inflammation.","Absorption":"Because of the low systemic absorption of pimecrolimus following topical application the calculation of standard pharmacokinetic measures such as AUC, C\u003csub\u003emax\u003c/sub\u003e, half-life, etc. cannot be reliably done.","Interactions":[{"ID":"DB01281"},{"ID":"DB05773"},{"ID":"DB00098"},{"ID":"DB06681"},{"ID":"DB08879"},{"ID":"DB00290"},{"ID":"DB08870"},{"ID":"DB06168"},{"ID":"DB00958"},{"ID":"DB00262"},{"ID":"DB00291"},{"ID":"DB00515"},{"ID":"DB00242"},{"ID":"DB00631"},{"ID":"DB00005"},{"ID":"DB00056"},{"ID":"DB05259"},{"ID":"DB06674"},{"ID":"DB04865"},{"ID":"DB00078"},{"ID":"DB00065"},{"ID":"DB08935"},{"ID":"DB00043"},{"ID":"DB01229"},{"ID":"DB00059"},{"ID":"DB08880"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00338","Name":"Omeprazole","DrugType":"small molecule","HalfLife":"0.5-1 hour (healthy subjects, delayed-release capsule); \r\n3 hours (hepatic impairment) ","Description":"A highly effective inhibitor of gastric acid secretion used in the therapy of stomach ulcers and Zollinger-Ellison syndrome. Omeprazole belongs to a class of antisecretory compounds, the substituted benzimidazoles, that suppress gastric acid secretion by specific inhibition of the H+/K+ ATPase enzyme system at the secretory surface of the gastric parietal cell.","Classification":{"Description":"This compound belongs to the sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.","DirectParent":"Sulfinylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Sulfinylbenzimidazoles"},"Indication":"Omeprazole is indicated for the treatment of duodenal ulcers, benign gastric ulcers, gastroesophageal reflux disease (GERD), heartburn and other symptoms associated with GERD, erosive esophagitis, and long-term treatment of pathological hypersecretory conditions like Zollinger-Ellison syndrome, multiple endocrine adenomas, and systemic mastocytosis. ","Toxicity":"Symptoms of overdose include confusion, drowsiness, blurred vision, tachycardia, nausea, diaphoresis, flushing, headache, and dry mouth.","MechanismOfAction":"Omeprazole is a proton pump inhibitor that suppresses gastric acid secretion by specific inhibition of the H\u003csup\u003e+\u003c/sup\u003e/K\u003csup\u003e+\u003c/sup\u003e-ATPase in the gastric parietal cell. By acting specifically on the proton pump, omeprazole blocks the final step in acid production, thus reducing gastric acidity.","Pharmacodynamics":"After oral administration, the onset of the anti-secretory effect of omeprazole occurs within one hour and maximum effect occurring within two hours. At 24 hours, inhibition of secretion is approximately 50% of maximum and duration of inhibition lasts up to 72 hours. Although omeprazole has a very short plasma half-life, the anti-secretory effect lasts for a long time due to prolonged binding to parietal H+/K+ ATPase enzyme. When the drug has been discontinued, secretory activity will return to baseline over 3-5 days. The inhibitory effect of omeprazole on acid secretion increases with repeated once-daily dosing, reaching a plateau after four days. In studies involving more than 200 patients, serum gastrin levels increased during the first 1 to 2 weeks of once-daily administration of therapeutic doses of omeprazole in parallel with inhibition of acid secretion. Systemic effects of omeprazole in the CNS, cardiovascular and respiratory systems have not been found to date. ","Absorption":"The delayed-release capsule are enteric-coated (as omeprazole is acid-labile) so the absorption of omprazole begins once the granules leave the stomach. Absorption is rapid. Peak plasma levels occur within 0.5 - 3.5 hours. The absolute bioavailability (compared with intravenous administration) of the delayed-release capsule is 30-40% at doses of 20 - 40 mg, due to presystemic metabolism. This value increases slightly when given repeatedly. Based on a relative bioavailability study, the AUC and Cmax of PRILOSEC (omeprazole magnesium) for Delayed-Release Oral Suspension were 87% and 88% of those for PRILOSEC Delayed-Release Capsules, respectively. Interestingly, when the 40 mg delayed release capsule is given with or without applesauce, it is bioequivalent. However, when the 20 mg delayed release capsule is given with the same conditions, it is not bioequivalent. When the same capsule is given to the elderly, bioavailability increases. Omeprazole was 76% bioavailable. ","Interactions":[{"ID":"DB00404"},{"ID":"DB01072"},{"ID":"DB06237"},{"ID":"DB06769"},{"ID":"DB01066"},{"ID":"DB00475"},{"ID":"DB01166"},{"ID":"DB01068"},{"ID":"DB00758"},{"ID":"DB00628"},{"ID":"DB00091"},{"ID":"DB01254"},{"ID":"DB00829"},{"ID":"DB00280"},{"ID":"DB00467"},{"ID":"DB01215"},{"ID":"DB00754"},{"ID":"DB00690"},{"ID":"DB01320"},{"ID":"DB00801"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01587"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB00563"},{"ID":"DB00683"},{"ID":"DB04938"},{"ID":"DB00252"},{"ID":"DB01588"},{"ID":"DB01589"},{"ID":"DB08864"},{"ID":"DB01656"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00932"},{"ID":"DB06273"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB08828"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000131","Name":"Omeprazole magnesium "},{"ID":"DBSALT000857","Name":"Omeprazole sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00339","Name":"Pyrazinamide","DrugType":"small molecule","HalfLife":"9-10 hours (normal conditions)","Description":"A pyrazine that is used therapeutically as an antitubercular agent.","Classification":{"Description":"This compound belongs to the pyrazinecarboxamides. These are compounds containing a pyrazine ring which bears a carboxamide.","DirectParent":"Pyrazinecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"For the initial treatment of active tuberculosis in adults and children when combined with other antituberculous agents.","Toxicity":"Side effects include liver injury, arthralgias, anorexia, nausea and vomiting, dysuria,malaise and fever, sideroblastic anemia, adverse effects on the blood clotting mechanism or vascular integrity, and hypersensitivity reactions such as urticaria, pruritis and skin rashes.","MechanismOfAction":"Pyrazinamide diffuses into M. tuberculosis, where the enzyme pyrazinamidase converts pyrazinamide to the active form pyrazinoic acid. Under acidic conditions, the pyrazinoic acid that slowly leaks out converts to the protonated conjugate acid, which is thought to diffuse easily back into the bacilli and accumulate. The net effect is that more pyrazinoic acid accumulates inside the bacillus at acid pH than at neutral pH.\r\nPyrazinoic acid was thought to inhibit the enzyme fatty acid synthase (FAS) I, which is required by the bacterium to synthesise fatty acids. However, this theory was thought to have been discounted (PMID: 11914348). However, further studies reproduced the results of FAS I inhibition as the putative mechanism first in whole cell assay of replicating M. tuberculosis bacilli which have shown that pyrazinoic acid and its ester inhibit the synthesis of fatty acids (PMID: 17101678). This study was followed by in vitro assay of tuberculous FAS I enzyme that tested the activity with pyrazinamide, pyrazinoic acid and several classes of pyrazinamide analogs. Pyrazinamide and its analogs inhibited the activity of purified FAS I (PMID: 17485499). \r\n\r\nIt has also been suggested that the accumulation of pyrazinoic acid disrupts membrane potential and interferes with energy production, necessary for survival of M. tuberculosis at an acidic site of infection. \r\n\r\nPyrazinoic acid has also been shown to bind to the ribosomal protein S1 (RpsA) and inhibit trans-translation. This may explain the ability of the drug to kill dormant mycobacteria (PMID: 21835980).","Pharmacodynamics":"Pyrazinamide kills or stops the growth of certain bacteria that cause tuberculosis (TB). It is used with other drugs to treat tuberculosis. It is a highly specific agent and is active only against \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e. In vitro and in vivo, the drug is active only at a slightly acid pH. Pyrazinamie gets activated to Pyrazinoic acid in the bacilli where it interferes with fatty acid synthase FAS I. This interferes with the bacteriums ability to synthesize new fatty acids, required for growth and replication.","Absorption":"Rapidly and well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00091"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00340","Name":"Metixene","DrugType":"small molecule","HalfLife":"","Description":"Metixene (or methixene) is a anticholinergic used as an anti-parkinson drug. [Wikipedia]","Classification":{"Description":"This compound belongs to the thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.","DirectParent":"Thioxanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Thioxanthenes"},"Indication":"Used for the symptomatic treatment of parkinsonism.","Toxicity":"Signs of overdose include dilated and sluggish pupils, warm, dry skin, facial flushing, decreased secretions of the mouth, pharynx, nose, and bronchi, foul-smelling breath, elevated temperature, tachycardia, cardiac arrhythmias, decreased bowel sounds, urinary retention, delirium, disorientation, anxiety, hallucinations, illusions, confusion, incoherence, agitation, hyperactivity, ataxia, loss of memory, paranoia, combativeness, and seizures.","MechanismOfAction":"Parkinsonism is thought to result from an imbalance between the excitatory (cholinergic) and inhibitory (dopaminergic) systems in the corpus striatum. The mechanism of action of centrally active anticholinergic drugs such as metixene is considered to relate to competitive antagonism of acetylcholine at muscarinic receptors in the corpus striatum, which then restores the balance.","Pharmacodynamics":"Metixene is a tertiary antimuscarinic with actions similar to those of atropine; it also has antihistaminic and direct antispasmodic properties. It is used for the symptomatic treatment of parkinsonism, including the alleviation of the extrapyramidal syndrome induced by other drugs such as phenothiazines, but, like other antimuscarinics, it is of no value against tardive dyskinesias. Metixene has been discontinued.","Absorption":"Absorbed in the gastrointestinal tract following oral administration, however the extent of absorption is not known.","Interactions":null,"Salts":[{"ID":"DBSALT000602","Name":"Metixene hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00341","Name":"Cetirizine","DrugType":"small molecule","HalfLife":"8.3 hours","Description":"A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the relief of symptoms associated with seasonal allergic rhinitis, perennial allergic rhinitis and the treatment of the uncomplicated skin manifestations of chronic idiopathic urticaria","Toxicity":"Somnolence (sleepiness or unusual drowsiness), restlessness, irritability","MechanismOfAction":"Cetirizine competes with histamine for binding at H\u003csub\u003e1\u003c/sub\u003e-receptor sites on the effector cell surface, resulting in suppression of histaminic edema, flare, and pruritus. The low incidence of sedation can be attributed to reduced penetration of cetirizine into the CNS as a result of the less lipophilic carboxyl group on the ethylamine side chain.","Pharmacodynamics":"Cetirizine, the active metabolite of the piperazine H\u003csub\u003e1\u003c/sub\u003e-receptor antagonist hydroxyzine, is used to treat chronic idiopathic urticaria, perennial allergic rhinitis, seasonal allergic rhinitis, allergic asthma, physical urticaria, and atopic dermatitis.","Absorption":"mean peak plasma concentration (Cmax) of 114 ng/mL at a time (Tmax) of 2.2 hours postdose was observed for cetirizine","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00342","Name":"Terfenadine","DrugType":"small molecule","HalfLife":"3.5 hours","Description":"In the U.S., Terfenadine was superseded by fexofenadine in the 1990s due to the risk of cardiac arrhythmia caused by QT interval prolongation.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of allergic rhinitis, hay fever, and allergic skin disorders.","Toxicity":"Mild (e.g., headache, nausea, confusion), but adverse cardiac events including cardiac arrest, ventricular arrhythmias including torsades de pointes and QT prolongation have been reported. LD\u003csub\u003e50\u003c/sub\u003e=mg/kg (orally in mice)","MechanismOfAction":"Terfenadine competes with histamine for binding at H1-receptor sites in the GI tract, uterus, large blood vessels, and bronchial muscle. This reversible binding of terfenadine to H1-receptors suppresses the formation of edema, flare, and pruritus resulting from histaminic activity. As the drug does not readily cross the blood-brain barrier, CNS depression is minimal.","Pharmacodynamics":"Terfenadine, an H1-receptor antagonist antihistamine, is similar in structure to astemizole and haloperidol, a butyrophenone antipsychotic. The active metabolite of terfenadine is fexofenadine.","Absorption":"On the basis of a mass balance study using 14C labeled terfenadine the oral absorption of terfenadine was estimated to be at least 70%","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01244"},{"ID":"DB00477"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB01142"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB00365"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00379"},{"ID":"DB01388"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB00540"},{"ID":"DB00850"},{"ID":"DB01263"},{"ID":"DB01035"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB01182"},{"ID":"DB01608"},{"ID":"DB00777"},{"ID":"DB00344"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB01369"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB00932"},{"ID":"DB01056"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00726"},{"ID":"DB01361"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00343","Name":"Diltiazem","DrugType":"small molecule","HalfLife":"3.0 - 4.5 hours","Description":"A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of the calcium ion in membrane functions. It is also teratogenic. [PubChem]","Classification":{"Description":"This compound belongs to the benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-member ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).","DirectParent":"Benzothiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazepines","SubClass":""},"Indication":"For the treatment of Hypertension","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=740mg/kg (orally in mice)","MechanismOfAction":"Possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, diltiazem, like verapamil, inhibits the influx of extracellular calcium across both the myocardial and vascular smooth muscle cell membranes. The resultant inhibition of the contractile processes of the myocardial smooth muscle cells leads to dilation of the coronary and systemic arteries and improved oxygen delivery to the myocardial tissue.","Pharmacodynamics":"Diltiazem, a benzothiazepine calcium-channel blocker, is used alone or with an angiotensin-converting enzyme inhibitor, to treat hypertension, chronic stable angina pectoris, and Prinzmetal's variant angina. Diltiazem is a non-dihydropyridine (DHP)member of the calcium channel blocker class, along with Verapamil. Diltiazem is similar to other peripheral vasodilators. Diltiazem inhibits the influx of extra cellular calcium across the myocardial and vascular smooth muscle cell membranes possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum. The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Absorption":"Diltiazem is well absorbed from the gastrointestinal tract but undergoes substantial hepatic first-pass effect.","Interactions":[{"ID":"DB01118"},{"ID":"DB00381"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00335"},{"ID":"DB01076"},{"ID":"DB01558"},{"ID":"DB00490"},{"ID":"DB00564"},{"ID":"DB00439"},{"ID":"DB01166"},{"ID":"DB00604"},{"ID":"DB00091"},{"ID":"DB01341"},{"ID":"DB04855"},{"ID":"DB06210"},{"ID":"DB00227"},{"ID":"DB00933"},{"ID":"DB00264"},{"ID":"DB00683"},{"ID":"DB00680"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB06335"},{"ID":"DB06207"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB00864"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00342"},{"ID":"DB00599"},{"ID":"DB00679"},{"ID":"DB00373"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00374"},{"ID":"DB00897"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000865","Name":"Diltiazem hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00359","Drugs":["DB00343","DB01345","DB01373"]}]},{"ID":"DB00344","Name":"Protriptyline","DrugType":"small molecule","HalfLife":"","Description":"Protriptyline hydrochloride is a dibenzocycloheptene-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, protriptyline does not affect mood or arousal, but may cause sedation. In depressed individuals, protriptyline exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. In addition, TCAs down-regulate cerebral cortical \u0026beta;-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine H\u003csub\u003e1\u003c/sub\u003e receptors, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Protriptyline may be used for the treatment of depression. ","Classification":{"Description":"This compound belongs to the dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring.","DirectParent":"Dibenzocycloheptenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Dibenzocycloheptenes","SubClass":""},"Indication":"For the treatment of depression. ","Toxicity":"Side effects include anxiety, blood disorders, confusion, decreased libido, dizziness, flushing, headache, impotence, insomnia, low blood pressure, nightmares, rapid or irregular heartbeat, rash, seizures, sensitivity to sunlight, stomach and intestinal discomfort, sedation, hypotension, blurred vision, dry mouth, constipation, urinary retention, postural hypotension, tachycardia, hypertension, ECG changes, heart failure, impaired memory and delirium, and precipitation of hypomanic or manic episodes in bipolar depression. Withdrawal symptoms include gastrointestinal disturbances, anxiety, and insomnia. ","MechanismOfAction":"Protriptyline acts by decreasing the reuptake of norepinephrine and serotonin (5-HT).","Pharmacodynamics":"Protriptyline is a tricyclic antidepressant. It was thought that tricyclic antidepressants work by inhibiting the reuptake of the neurotransmitters norepinephrine and serotonin by nerve cells. However, this response occurs immediately, yet mood does not lift for approximately two weeks. It is now thought that changes occur in receptor sensitivity in the cerebral cortex and hippocampus. The hippocampus is part of the limbic system, a part of the brain involved in emotions. Presynaptic receptors are affected: \u0026alpha;\u003csub\u003e1\u003c/sub\u003e and \u0026beta;\u003csub\u003e1\u003c/sub\u003e receptors are sensitized, \u0026alpha;\u003csub\u003e2\u003c/sub\u003e receptors are desensitised (leading to increased noradrenaline production). Tricyclics are also known as effective analgesics for different types of pain, especially neuropathic or neuralgic pain. A precise mechanism for their analgesic action is unknown, but it is thought that they modulate anti-pain opioid systems in the CNS via an indirect serotonergic route. They are also effective in migraine prophylaxis, but not in abortion of acute migraine attack. The mechanism of their anti-migraine action is also thought to be serotonergic.","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB00843"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB06708"},{"ID":"DB01171"},{"ID":"DB00816"},{"ID":"DB00780"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB00852"},{"ID":"DB00908"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00345","Name":"Aminohippurate","DrugType":"small molecule","HalfLife":"","Description":"The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity. [PubChem]","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Used to measure effective renal plasma flow (ERPF) and to determine the functional capacity of the tubular excretory mechanism.","Toxicity":"The intravenous LD\u003csub\u003e50\u003c/sub\u003e in female mice is 7.22 g/kg.","MechanismOfAction":"Aminohippurate is filtered by the renal glomeruli and secreted into the urine by the proximal tubules. By measuring the amount of drug in the urine it is possible to determine functional capacity and effective renal plasma flow.","Pharmacodynamics":"Aminohippurate (p-aminohippuric acid, PAH, PAHA) is the glycine amide of p-aminobenzoic acid. It is filtered by the glomeruli and is actively secreted by the proximal tubules. At low plasma concentrations (1.0 to 2.0 mg/100 mL), an average of 90 percent of aminohippurate is cleared by the kidneys from the renal blood stream in a single circulation. It is ideally suited for measurement of ERPF since it has a high clearance, is essentially nontoxic at the plasma concentrations reached with recommended doses, and its analytical determination is relatively simple and accurate. Aminohippurate is also used to measure the functional capacity of the renal tubular secretory mechanism or transport maximum (Tm\u003csub\u003ePAH\u003c/sub\u003e). This is accomplished by elevating the plasma concentration to levels (40-60 mg/100 mL) sufficient to saturate the maximal capacity of the tubular cells to secrete aminohippurate. Inulin clearance is generally measured during Tm\u003csub\u003ePAH\u003c/sub\u003e determinations since glomerular filtration rate (GFR) must be known before calculations of secretory Tm measurements can be done.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000352","Name":"Aminohippurate Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00346","Name":"Alfuzosin","DrugType":"small molecule","HalfLife":"10 hours","Description":"Alfuzosin (INN, provided as the hydrochloride salt) is an alpha-adrenergic blocker used to treat benign prostatic hyperplasia (BPH). It works by relaxing the muscles in the prostate and bladder neck, making it easier to urinate. [Wikipedia]","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For the reduction of urinary obstruction and relief of associated manifestations (eg. sensation of incomplete bladder emptying or straining, urgency, interrupted or weak stream) in patients with symptomatic beningn prostatic hyperplasia.","Toxicity":"Side effects are dizziness (due to postural hypotension), upper respiratory tract infection, headache, and fatigue.","MechanismOfAction":"Alfuzosin is a non-subtype specific alpha(1)-adrenergic blocking agent that exhibits selectivity for alpha(1)-adrenergic receptors in the lower urinary tract. Inhibition of these adrenoreceptors leads to the relaxation of smooth muscle in the bladder neck and prostate, resulting in the improvement in urine flow and a reduction in symptoms in benign prostate hyperplasia. Alfuzosin also inhibits the vasoconstrictor effect of circulating and locally released catecholamines (epinephrine and norepinephrine), resulting in peripheral vasodilation.","Pharmacodynamics":"Alfuzosin is a quinazoline-derivative alpha-adrenergic blocking agent used to treat hypertension and benign prostatic hyperplasia. Accordingly, alfuzosin is a selective inhibitor of the alpha(1) subtype of alpha adrenergic receptors. In the human prostate, alfuzosin antagonizes phenylephrine (alpha(1) agonist)-induced contractions, \u003ci\u003ein vitro\u003c/i\u003e, and binds with high affinity to the alpha1a adrenoceptor, which is thought to be the predominant functional type in the prostate. Studies in normal human subjects have shown that alfuzosin competitively antagonized the pressor effects of phenylephrine (an alpha(1) agonist) and the systolic pressor effect of norepinephrine. The antihypertensive effect of alfuzosin results from a decrease in systemic vascular resistance and the parent compound alfuzosin is primarily responsible for the antihypertensive activity.","Absorption":"Absorption is 50% lower under fasting conditions","Interactions":[{"ID":"DB09026"},{"ID":"DB08873"},{"ID":"DB00872"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00503"},{"ID":"DB00820"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB01162"},{"ID":"DB00862"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT001063","Name":"Alfuzosin Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00347","Name":"Trimethadione","DrugType":"small molecule","HalfLife":"","Description":"An anticonvulsant effective in absence seizures, but generally reserved for refractory cases because of its toxicity. (From AMA Drug Evaluations Annual, 1994, p378)","Classification":{"Description":"This compound belongs to the oxazolidinediones. These are compound containing an oxazolidine ring which bears two ketones.","DirectParent":"Oxazolidinediones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Oxazolidines"},"Indication":"Used in the control of absence (petit mal) seizures that are refractory to treatment with other medications.","Toxicity":"Symptoms of overdose include clumsiness or unsteadiness, coma, dizziness (severe), drowsiness (severe), nausea (severe), and problems with vision.","MechanismOfAction":"Dione anticonvulsants reduce T-type calcium currents in thalamic neurons, including thalamic relay neurons. It does so via the inhibition of voltage dependent T-type calcium channels. This raises the threshold for repetitive activity in the thalamus, and inhibits corticothalamic transmission. Thus, the abnormal thalamocortical rhythmicity, which is thought to underlie the 3-Hz spike-and-wave discharge seen on electroencephalogram(EEG) with absence seizures, is dampened.","Pharmacodynamics":"Paramethadione and trimethadione are anticonvulsants indicated in the control of absence (petit mal) seizures that are refractory to treatment with other medications. Dione anticonvulsants are used in the treatment of epilepsy. They act on the central nervous system (CNS) to reduce the number of seizures.","Absorption":"","Interactions":[{"ID":"DB00822"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00348","Name":"Nitisinone","DrugType":"small molecule","HalfLife":"~54 hours","Description":"Nitisinone is a synthetic reversible inhibitor of 4-hydroxyphenylpyruvate dioxygenase. It is used in the treatment of hereditary tyrosinemia type 1. It is sold under the brand name Orfadin. [Wikipedia]","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"Used as an adjunct to dietary restriction of tyrosine and phenylalanine in the treatment of hereditary tyrosinemia type 1.","Toxicity":"Side effects include elevated plasma levels of this amino acid, hepatic and liver failure.","MechanismOfAction":"Nitisinone is a competitive inhibitor of 4-hydroxyphenyl-pyruvate dioxygenase, an enzyme upstream of fumarylacetoacetate hydrolyase (FAH) in the tyrosine catabolic pathway. By inhibiting the normal catabolism of tyrosine in patients with hereditary tyrosinemia type 1 (HT-1), nitisinone prevents the accumulation of the catabolic intermediates maleylacetoacetate and fumarylacetoacetate.","Pharmacodynamics":"Hereditary tyrosinemia type 1 occurs due to a deficiency in fumarylacetoacetase (FAH), the final enzyme in the tyrosine catabolic pathway. Nitisinone inhibits catabolism of tyrosine by preventing the catabolic intermediates. In patients with HT-1, these catabolic intermediates are converted to the toxic metabolites succinylacetone and succinylacetoacetate, which are responsible for the observed liver and kidney toxicity. Succinylacetone can also inhibit the porphyrin synthesis pathway leading to the accumulation of 5-aminolevulinate, a neurotoxin responsible for the porphyric crises characteristic of HT-1.","Absorption":"The capsule and liquid formulations are bioequivalent in both the plasma concentration-time curve and maximum plasma concentration (Cmax).","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00349","Name":"Clobazam","DrugType":"small molecule","HalfLife":"The mean elimination half life of an oral dose of clobazam 40 mg is 32 hours. It's main metabolite, norclobazam, as a half life of 57 hours. The half life in adult patients with epilepsy are higher than those that are healthy. ","Description":"Clobazam belongs to the 1,5-benzodiazepine class of drugs and is expected to have a better side-effect profile compared to older 1,4-benzodiazepines. It has been marketed as an anxiolytic since 1975 and an anticonvulsant since 1984. The oral preparation was FDA approved on October 21, 2011. An oral suspension is expected to be available in 2013.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For treatment and management of epilepsy and seizures associated with Lennox-Gastaut syndrome, a difficult-to-treat form of childhood epilepsy. ","Toxicity":"The most common adverse effects include somnolence, pyrexia, upper respiratory tract infection, and lethargy. ","MechanismOfAction":"Clobazam binds at distinct binding sites associated with the chloride ionopore at the post-synaptic GABA receptor. These GABA receptors are in various locations in the CNS (limbic, reticular formation) and clobazam increases the duration of time for which the chloride ionopore is open. As a result, hyper polarization and stabilization of the membrane occur as the post-synaptic inhibitory effect of GABA is enhanced. ","Pharmacodynamics":"Similar to other benzodiazepines, clobazam binds to the interface of the α and γ2-subunit of the GABA-A receptor. However, it is considered a partial agonist to GABA-A receptors which sets clobazam apart from 1,4-benzodiazepines which are full agonist. The significance of this difference is that one may experience less sedation with clobazam than with other benzodiazepines. Unlike the endogenous GABA ligand, clobazam binds allosterically to the GABA receptor to increase the frequency of the chloride channel opening and membrane permeability to chloride ions. Pharmacodynamic tolerance has been demonstrated in animal models. ","Absorption":"After oral administration of clobazam, it is almost completely absorbed (87% of dose). Bioavailability relative to solution was almost at 100%. Food does not affect absorption. \r\nTmax = 1-3 hours.","Interactions":[{"ID":"DB06626"},{"ID":"DB00363"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00683"},{"ID":"DB05271"},{"ID":"DB00976"},{"ID":"DB00208"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00350","Name":"Minoxidil","DrugType":"small molecule","HalfLife":"4.2 hours","Description":"A potent direct-acting peripheral vasodilator (vasodilator agents) that reduces peripheral resistance and produces a fall in blood pressure. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371)","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the treatment of severe hypertension and in the topical treatment (regrowth) of androgenic alopecia in males and females and stabilisation of hair loss in patients with androgenic alopecia.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats has ranged from 1321-3492 mg/kg; in mice, 2456-2648 mg/kg. Side effects include cardiovascular effects associated with hypotension such as sudden weight gain, rapid heart beat, faintness or dizziness.","MechanismOfAction":"Minoxidil is thought to promote the survival of human dermal papillary cells (DPCs) or hair cells by activating both extracellular signal-regulated kinase (ERK) and Akt and by preventing cell death by increasing the ratio of BCl\u003csup\u003e-\u003c/sup\u003e2/Bax. Minoxidil may stimulate the growth of human hairs by prolonging anagen through these proliferative and anti-apoptotic effects on DPCs. Minoxidil, when used as a vasodilator, acts by opening adenosine triphosphate-sensitive potassium channels in vascular smooth muscle cells. This vasodilation may also improve the viability of hair cells or hair follicles.","Pharmacodynamics":"Minoxidil is an orally effective direct acting peripheral vasodilator that reduces elevated systolic and diastolic blood pressure by decreasing peripheral vascular resistance. Minoxidil is also used topically to treat androgenetic alopecia. Microcirculatory blood flow in animals is enhanced or maintained in all systemic vascular beds. In man, forearm and renal vascular resistance decline; forearm blood flow increases while renal blood flow and glomerular filtration rate are preserved. The predominant site of minoxidil action is arterial. Venodilation does not occur with minoxidil; thus, postural hypotension is unusual with its administration. The antihypertensive activity of minoxidil is due to its sulphate metabolite, minoxidil sulfate.","Absorption":"Minoxidil is at least 90% absorbed from the GI tract in experimental animals and man.","Interactions":[{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00351","Name":"Megestrol acetate","DrugType":"small molecule","HalfLife":"34 hours","Description":"17-Hydroxy-6-methylpregna-3,6-diene-3,20-dione. A progestational hormone used most commonly as the acetate ester. As the acetate, it is more potent than progesterone both as a progestagen and as an ovulation inhibitor. It has also been used in the palliative treatment of breast cancer. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the treatment of anorexia, cachexia, or an unexplained, significant weight loss in patients with a diagnosis of acquired immunodeficiency syndrome (AIDS). Also used for the palliative management of recurrent, inoperable, or metastatic breast cancer, endometrial cancer, and prostate cancer in Canada and some other countries.","Toxicity":"No serious unexpected side effects have resulted from studies involving megestrol acetate oral suspension administered in dosages as high as 1200 mg/day. Treatment with megestrol acetate, an orexigenic agent, has also resulted in iatrogenic adrenal suppression. The mechanism is presumably related to the glucocorticoid properties of megestrol acetate [PMID: 12872362].","MechanismOfAction":"The precise mechanism by which megestrol acetate produces effects in anorexia and cachexia is unknown at the present time, but its progestin antitumour activity may involve suppression of luteinizing hormone by inhibition of pituitary function. Studies also suggest that the megestrol's weight gain effect is related to its appetite-stimulant or metabolic effects rather than its glucocorticoid-like effects or the production of edema. It has also been suggested that megestrol may alter metabolic pathyways via interferences with the production or action of mediators such as cachectin, a hormone that inhibits adipocyte lipogenic enzymes. ","Pharmacodynamics":"Megestrol is a synthetic progestin and has the same physiologic effects as natural progesterone. These effects include induction of secretory changes in the endometrium, increase in basal body temperature, pituitary inhibition, and production of withdrawal bleeding in the presence of estrogen. Mestrogel has slight glucocorticoid activity and very slight mineralocorticoid activity. This drug has no estrogenic, androgenic, or anabolic activity. The precise mechanism of megestrol\u0026rsquo;s antianorexic and anticachetic effects is unknown. Initially developed as a contraceptive, it was first evaluated in breast cancer treatment in 1967.","Absorption":"Variable, but well absorbed orally.","Interactions":[{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00418"},{"ID":"DB00306"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00352","Name":"Tioguanine","DrugType":"small molecule","HalfLife":"When the compound was given in singles doses of 65 to 300 mg/m^2, the median plasma half-disappearance time was 80 minutes (range 25-240 minutes)","Description":"An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia. [PubChem]","Classification":{"Description":"This compound belongs to the purinethiones. These are purines in which the purine moiety bears a thioketone.","DirectParent":"Purinethiones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For remission induction and remission consolidation treatment of acute nonlymphocytic leukemias.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 160 mg/kg. Symptoms of overdose include nausea, vomiting, malaise, hypotension, and diaphoresis.","MechanismOfAction":"Thioguanine competes with hypoxanthine and guanine for the enzyme hypoxanthine-guanine phosphoribosyltransferase (HGPRTase) and is itself converted to 6-thioguanilyic acid (TGMP), which reaches high intracellular concentrations at therapeutic doses. TGMP interferes with the synthesis of guanine nucleotides by its inhibition of purine biosynthesis by pseudofeedback inhibition of glutamine-5-phosphoribosylpyrophosphate amidotransferase, the first enzyme unique to the de novo pathway of purine ribonucleotide synthesis. TGMP also inhibits the conversion of inosinic acid (IMP) to xanthylic acid (XMP) by competition for the enzyme IMP dehydrogenase. Thioguanine nucleotides are incorporated into both the DNA and the RNA by phosphodiester linkages, and some studies have shown that incorporation of such false bases contributes to the cytotoxicity of thioguanine. Its tumor inhibitory properties may be due to one or more of its effects on feedback inhibition of de novo purine synthesis; inhibition of purine nucleotide interconversions; or incorporation into the DNA and RNA. The overall result of its action is a sequential blockade of the utilization and synthesis of the purine nucleotides.","Pharmacodynamics":"Thioguanine is an antineoplastic anti-metabolite used in the treatment of several forms of leukemia including acute nonlymphocytic leukemia. Anti-metabolites masquerade as purine or pyrimidine - which become the building blocks of DNA. They prevent these substances becoming incorporated in to DNA during the \"S\" phase (of the cell cycle), stopping normal development and division. Thioguanine was first synthesized and entered into clinical trial more than 30 years ago. It is a 6-thiopurine analogue of the naturally occurring purine bases hypoxanthine and guanine. Intracellular activation results in incorporation into DNA as a false purine base. An additional cytotoxic effect is related to its incorporation into RNA. Thioguanine is cross-resistant with mercaptopurine. Cytotoxicity is cell cycle phase-specific (S-phase).","Absorption":"Absorption of an oral dose is incomplete and variable, averaging approximately 30% of the administered dose (range: 14% to 46%)","Interactions":[{"ID":"DB00233"},{"ID":"DB01008"},{"ID":"DB01033"},{"ID":"DB00244"},{"ID":"DB00108"},{"ID":"DB01250"},{"ID":"DB00795"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00647","Drugs":["DB00352"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB00353","Name":"Methylergometrine","DrugType":"small molecule","HalfLife":"3.39 hours","Description":"A homolog of ergonovine containing one more CH2 group. (Merck Index, 11th ed)","Classification":{"Description":"This compound belongs to the indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.","DirectParent":"Indoloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Indoloquinolines"},"Indication":"For the prevention and control of excessive bleeding following vaginal childbirth","Toxicity":"Signs and symptoms of overexposure: hypertension, seizures, headache, hypotension, nausea, and vomiting.","MechanismOfAction":"Methylergometrine acts directly on the smooth muscle of the uterus and increases the tone, rate, and amplitude of rhythmic contractions through binding and the resultant antagonism of the dopamine D1 receptor. Thus, it induces a rapid and sustained tetanic uterotonic effect which shortens the third stage of labor and reduces blood loss.","Pharmacodynamics":"Methylergometrine is a semisynthetic ergot alkaloid and a derivative of ergonovine and is used for the prevention and control of postpartum and post-abortion hemorrhage. In general, the effects of all the ergot alkaloids appear to results from their actions as partial agonists or antagonists at adrenergic, dopaminergic, and tryptaminergic receptors. The spectrum of effects depends on the agent, dosage, species, tissue, and experimental or physiological conditions. All of the alkaloids of ergot significantly increase the motor activity of the uterus. After small doses contractions are increased in force or frequency, or both, but are followed by a normal degree of relaxation. As the dose is increased, contractions become more forceful and prolonged, resting tonus is markedly increased, and sustained contracture can result.","Absorption":"Absorption is rapid after oral (60% bioavailability) and intramuscular (78% bioavailability) administration.","Interactions":[{"ID":"DB00918"},{"ID":"DB01072"},{"ID":"DB00705"},{"ID":"DB06700"},{"ID":"DB00625"},{"ID":"DB00216"},{"ID":"DB00668"},{"ID":"DB00199"},{"ID":"DB00998"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB00952"},{"ID":"DB00727"},{"ID":"DB06154"},{"ID":"DB00388"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT001025","Name":"Methylergometrine maleate"},{"ID":"DBSALT001062","Name":"Methylergonovine tartrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00354","Name":"Buclizine","DrugType":"small molecule","HalfLife":"","Description":"Buclizine is an antihistamine of the piperazine derivative family. [Wikipedia]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For prevention and treatment of nausea, vomiting, and dizziness associated with motion sickness and vertigo (dizziness caused by other medical problems).","Toxicity":"","MechanismOfAction":"Vomiting (emesis) is essentially a protective mechanism for removing irritant or otherwise harmful substances from the upper GI tract. Emesis or vomiting is controlled by the vomiting centre in the medulla region of the brain, an important part of which is the chemotrigger zone (CTZ). The vomiting centre possesses neurons which are rich in muscarinic cholinergic and histamine containing synapses. These types of neurons are especially involved in transmission from the vestibular apparatus to the vomiting centre. Motion sickness principally involves overstimulation of these pathways due to various sensory stimuli. Hence the action of buclizine which acts to block the histamine receptors in the vomiting centre and thus reduce activity along these pathways. Furthermore since buclizine possesses anti-cholinergic properties as well, the muscarinic receptors are similarly blocked.","Pharmacodynamics":"Buclizine is a piperazine-derivative antihistamine used as an antivertigo/antiemetic agent. Buclizine is used in the prevention and treatment of nausea, vomiting, and dizziness associated with motion sickness. Additionally, it has been used in the management of vertigo in diseases affecting the vestibular apparatus. Although the mechanism by which buclizine exerts its antiemetic and antivertigo effects has not been fully elucidated, its central anticholinergic properties are partially responsible. The drug depresses labyrinth excitability and vestibular stimulation, and it may affect the medullary chemoreceptor trigger zone. It also possesses anticholinergic, antihistaminic, central nervous system depressant, and local anesthetic effects.","Absorption":"Rapidly absorbed following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000197","Name":"Buclizine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00355","Name":"Aztreonam","DrugType":"small molecule","HalfLife":"The serum half-life of aztreonam averaged 1.7 hours (1.5 to 2.0) in subjects with normal renal function, independent of the dose. In elderly patients and in patients with impaired renal function, the mean serum half-life of aztreonam increased (4.7 to 6 hours and 2.1 hours, respectively).","Description":"A monocyclic beta-lactam antibiotic originally isolated from Chromobacterium violaceum. It is resistant to beta-lactamases and is used in gram-negative infections, especially of the meninges, bladder, and kidneys. It may cause a superinfection with gram-positive organisms. [PubChem]","Classification":{"Description":"This compound belongs to the monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.","DirectParent":"Monobactams","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of the following infections caused by susceptible gram-negative microorganisms: urinary tract infections, lower respiratory tract infections, septicemia, skin and skin-structure infections, intra-abdominal infections, and gynecologic infections.","Toxicity":"","MechanismOfAction":"The bactericidal action of aztreonam results from the inhibition of bacterial cell wall synthesis due to a high affinity of aztreonam for penicillin binding protein 3 (PBP3). By binding to PBP3, aztreonam inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins. It is possible that aztreonam interferes with an autolysin inhibitor.","Pharmacodynamics":"Aztreonam is a monocyclic beta-lactam antibiotic (a monobactam) originally isolated from \u003ci\u003eChromobacterium violaceum\u003c/i\u003e. Aztreonam exhibits potent and specific activity in vitro against a wide spectrum of gram-negative aerobic pathogens including \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e. It has no useful activity against gram-positive bacteria or anaerobes, but has very broad spectrum against gram-negative aerobes, including \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e. This has given it the nickname \"the magic bullet for aerobic gram-negative bacteria\". Aztreonam, unlike the majority of beta-lactam antibiotics, does not induce beta-lactamase activity and its molecular structure confers a high degree of resistance to hydrolysis by beta-lactamases (such as penicillinases and cephalosporinases) produced by most gram-negative and gram-positive pathogens; it is, therefore, usually active against gram-negative aerobic microorganisms that are resistant to antibiotics hydrolyzed by beta-lactamases. It is active against many strains that are multiply-resistant to other antibiotics, such as certain cephalosporins, penicillin, and aminoglycosides. Aztreonam maintains its antimicrobial activity over a pH range of 6 to 8 in vitro, as well as in the presence of human serum and under anaerobic conditions.","Absorption":"Less than 1% absorbed from the gastrointestinal tract following oral administration. Completely absorbed following intramuscular administration.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01017"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT001061","Name":"Aztreonam Lysine"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00356","Name":"Chlorzoxazone","DrugType":"small molecule","HalfLife":"","Description":"A centrally acting central muscle relaxant with sedative properties. It is claimed to inhibit muscle spasm by exerting an effect primarily at the level of the spinal cord and subcortical areas of the brain. (From Martindale, The Extra Pharmacopoea, 30th ed, p1202)","Classification":{"Description":"This compound belongs to the benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) beraing a ketone group.","DirectParent":"Benzoxazolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazoles","SubClass":"Benzoxazolones"},"Indication":"For the relief of discomfort associated with acute painful musculoskeletal conditions.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 440 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 763 mg/kg; Symptoms of overdose include diarrhea, dizziness, drowsiness, headache, light-headedness, nausea, and vomiting.","MechanismOfAction":"Chlorzoxazone inhibits degranulation of mast cells, subsequently preventing the release of histamine and slow-reacting substance of anaphylaxis (SRS-A), mediators of type I allergic reactions. Chlorzoxazone also may reduce the release of inflammatory leukotrienes. Chlorzoxazone may act by inhibiting calcium and potassium influx which would lead to neuronal inhibition and muscle relaxation. Data available from animal experiments as well as human study indicate that chlorzoxazone acts primarily at the level of the spinal cord and subcortical areas of the brain where it inhibits multisynaptic reflex arcs involved in producing and maintaining skeletal muscle spasm","Pharmacodynamics":"Chlorzoxazone, a synthetic compound, inhibits antigen-induced bronchospasms and, hence, is used to treat asthma and allergic rhinitis. Chlorzoxazone is used as an ophthalmic solution to treat conjunctivitis and is taken orally to treat systemic mastocytosis and ulcerative colitis. Chlorzoxazone is also a centrally-acting agent for painful musculoskeletal conditions. Data available from animal experiments as well as human study indicate that chlorzoxazone acts primarily at the level of the spinal cord and subcortical areas of the brain where it inhibits multisynaptic reflex a.c. involved in producing and maintaining skeletal muscle spasm of varied etiology. The clinical result is a reduction of the skeletal muscle spasm with relief of pain and increased mobility of the involved muscles.","Absorption":"","Interactions":[{"ID":"DB00822"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00357","Name":"Aminoglutethimide","DrugType":"small molecule","HalfLife":"12.5 \u0026plusmn; 1.6 hours","Description":"An aromatase inhibitor that produces a state of \"medical\" adrenalectomy by blocking the production of adrenal steroids. It also blocks the conversion of androgens to estrogens. Aminoglutethimide has been used in the treatment of advanced breast and prostate cancer. It was formerly used for its weak anticonvulsant properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p454)","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"For the suppression of adrenal function in selected patients with Cushing's syndrome, malignant neoplasm of the female breast, and carcinoma in situ of the breast.","Toxicity":"Oral LD50s (mg/kg): rats, 1800; dogs, \u003e100. Intravenous LD50s (mg/kg): rats, 156; dogs, \u003e100. Symptoms of overdose include respiratory depression, hypoventilation, hypotension, hypovolemic shock due to dehydration, somnolence, lethargy, coma, ataxia, dizziness, fatigue, nausea, and vomiting.","MechanismOfAction":"Aminoglutethimide reduces the production of D5-pregnenolone and blocks several other steps in steroid synthesis, including the C-11, C-18, and C-21 hydroxylations and the hydroxylations required for the aromatization of androgens to estrogens, mediated through the binding of aminoglutethimide to cytochrome P-450 complexes. Specifically, the drug binds to and inhibits aromatase which is essential for the generation of estrogens from androstenedione and testosterone. A decrease in adrenal secretion of cortisol is followed by an increased secretion of pituitary adrenocorticotropic hormone (ACTH), which will overcome the blockade of adrenocortical steroid synthesis by aminoglutethimide. The compensatory increase in ACTH secretion can be suppressed by the simultaneous administration of hydrocortisone. Since aminoglutethimide increases the rate of metabolism of dexamethasone but not that of hydrocortisone, the latter is preferred as the adrenal glucocorticoid replacement. Although aminoglutethimide inhibits the synthesis of thyroxine by the thyroid gland, the compensatory increase in thyroid-stimulating hormone (TSH) is frequently of sufficient magnitude to overcome the inhibition of thyroid synthesis due to aminoglutethimide. In spite of an increase in TSH, aminoglutethimide has not been associated with increased prolactin secretion.","Pharmacodynamics":"Aminoglutethimide inhibits the enzymatic conversion of cholesterol to D5-pregnenolone, resulting in a decrease in the production of adrenal glucocorticoids, mineralocorticoids, estrogens, and androgens.","Absorption":"Rapidly and completely absorbed from gastrointestinal tract. The bioavailability of tablets is equivalent to equal doses given as a solution.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB01234"},{"ID":"DB00266"},{"ID":"DB00675"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00358","Name":"Mefloquine","DrugType":"small molecule","HalfLife":"2 to 4 weeks","Description":"A phospholipid-interacting antimalarial drug (antimalarials). It is very effective against plasmodium falciparum with very few side effects. [PubChem]","Classification":{"Description":"This compound belongs to the quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.","DirectParent":"Quinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":""},"Indication":"For the treatment of mild to moderate acute malaria caused by Mefloquineuine-susceptible strains of \u003ci\u003ePlasmodium falciparum\u003c/i\u003e (both chloroquine-susceptible and resistant strains) or by \u003ci\u003ePlasmodium vivax\u003c/i\u003e. Also for the prophylaxis of \u003ci\u003ePlasmodium falciparum\u003c/i\u003e and \u003ci\u003ePlasmodium vivax\u003c/i\u003e malaria infections, including prophylaxis of chloroquine-resistant strains of \u003ci\u003ePlasmodium falciparum\u003c/i\u003e.","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 880 mg/kg. Symptoms of overdose include nausea, vomiting, and weight loss.","MechanismOfAction":"Mefloquine has been found to produce swelling of the \u003ci\u003ePlasmodium falciparum\u003c/i\u003e food vacuoles. It may act by forming toxic complexes with free heme that damage membranes and interact with other plasmodial components.","Pharmacodynamics":"Mefloquine is an antimalarial agent which acts as a blood schizonticide. Mefloquine is active against the erythrocytic stages of Plasmodium species. However, the drug has no effect against the exoerythrocytic (hepatic) stages of the parasite. Mefloquine is effective against malaria parasites resistant to chloroquine. Mefloquine is a chiral molecule. According to some research, the (+) enantiomer is more effective in treating malaria, and the (-) enantiomer specifically binds to adenosine receptors in the central nervous system, which may explain some of its psychotropic effects.","Absorption":"Well absorbed from the gastrointestinal tract. The presence of food significantly enhances the rate and extent of absorption.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB00266"},{"ID":"DB01218"},{"ID":"DB06708"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB01623"},{"ID":"DB00906"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB01080"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB00909"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000311","Name":"Mefloquine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00359","Name":"Sulfadiazine","DrugType":"small molecule","HalfLife":"","Description":"One of the short-acting sulfonamides used in combination with pyrimethamine to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of rheumatic fever and meningococcal meningitis","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in mouse is 1500 mg/kg.","MechanismOfAction":"Sulfadiazine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. This enzyme is needed for the proper processing of para-aminobenzoic acid (PABA) which is essential for folic acid synthesis. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Pharmacodynamics":"Sulfadiazine is a sulfonamide antibiotic. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"","Interactions":[{"ID":"DB00672"},{"ID":"DB00091"},{"ID":"DB01320"},{"ID":"DB06146"},{"ID":"DB00563"},{"ID":"DB00252"},{"ID":"DB00675"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00440"},{"ID":"DB00682"},{"ID":"DB00549"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00360","Name":"Tetrahydrobiopterin","DrugType":"small molecule","HalfLife":"","Description":"Tetrahydrobiopterin or BH4 is a cofactor in the synthesis of nitric oxide. It is also essential in the conversion of phenylalanine to tyrosine by the enzyme phenylalanine-4-hydroxylase; the conversion of tyrosine to L-dopa by the enzyme tyrosine hydroxylase; and conversion of tryptophan to 5-hydroxytryptophan via tryptophan hydroxylase. [Wikipedia]","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"For the treatment of tetrahydrobiopterin (BH4) deficiency.","Toxicity":"","MechanismOfAction":"Tetrahydrobiopterin (BH4) is a natural co-factor or co-enzyme for phenylalanine-4-hydroxylase (PAH),Tetrahydrobiopterine, and tryptophan-5-hydroxylase. Tetrahydrobiopterin is also a natural co-factor for nitrate oxide synthase. Therefore BH4 is required for the conversion of phenylalanine to tyrosine, for the production of epinephrine (adrenaline) and the synthesis of the monoamine neuro-transmitters, serotonin, dopamine, and norepinephrine (noradrenaline). It is also involved in apoptosis and other cellular events mediated by nitric oxide production. As a coenzyme, BH4 reacts with molecular oxygen to form an active oxygen intermediate that can hydroxylate substrates. In the hydroxylation process, the co-enzyme loses two electrons and is regenerated in vivo in an NADH-dependent reaction. As a co-factor for PAH, tetrahydrobiopterin allows the conversion of phenylalanine to tyrosine and reduces the level of phenylalanine in the bloodstream, thereby reducing the toxic effects of of this amino acid. Normal serum concentrations of phenylalanine are 100 micomolar, while elevated (toxic) levels are typically \u003e1200 micromolar. Individuals with a deficiency in tetrahydrobiopterin are not able to efficiently convert phenylalanine to tyrosine. The excess levels provided by tetrahydrobiopterin supplementation help improve enzyme efficiency. As a co-factor for tyrosine hydroxylase, BH4 facilitates the conversion of tyrosine to L-dopa while as a co-factor for tryptophan hydroxylase, BH4 allows the conversion of tryptophan to 5-hydroxytryptophan, which is then converted to serotonin.","Pharmacodynamics":"Tetrahydrobiopterin (BH4) is used to convert several amino acids, including phenylalanine, to other essential molecules in the body including neurotransmitters. Tetrahydrobiopterin deficiency can be caused by mutations in GTP cyclohydrolase 1 (GCH1), 6-pyruvoyl-tetrahydropterin synthase/dimerization cofactor of hepatocyte nuclear factor 1 alpha (PCBD1), 6-pyruvoyltetrahydropterin synthase (PTS), and quinoid dihydropteridine reductase (QDPR) genes. These genes make the enzymes that are critical for producing and recycling tetrahydrobiopterin. If one of the enzymes fails to function correctly because of a gene mutation, little or no tetrahydrobiopterin is produced. As a result, phenylalanine from the diet builds up in the bloodstream and other tissues and can damage nerve cells in the brain. High levels of phenylalanine can result in signs and symptoms ranging from temporary low muscle tone to mental retardation, movement disorders, difficulty swallowing, seizures, behavioral problems, progressive problems with development, and an inability to control body temperature.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00361","Name":"Vinorelbine","DrugType":"small molecule","HalfLife":"27.7-43.6 hours","Description":"Vinorelbine (Navelbine\u0026reg;) is an anti-mitotic chemotherapy drug that is given as a treatment for some types of cancer, including breast cancer and non-small cell lung cancer. [Wikipedia]","Classification":{"Description":"This compound belongs to the vinca alkaloids.","DirectParent":"Vinca Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Vinca Alkaloids","SubClass":""},"Indication":"For the treatment of non-small-cell lung carcinoma.","Toxicity":"","MechanismOfAction":"The antitumor activity of vinorelbine is thought to be due primarily to inhibition of mitosis at metaphase through its interaction with tubulin. Vinorelbine binds to the microtubular proteins of the mitotic spindle, leading to crystallization of the microtubule and mitotic arrest or cell death. Like other vinca alkaloids, vinorelbine may also interfere with: 1) amino acid, cyclic AMP, and glutathione metabolism, 2) calmodulin-dependent Ca\u003csup\u003e2+\u003c/sup\u003e-transport ATPase activity, 3) cellular respiration, and 4) nucleic acid and lipid biosynthesis.","Pharmacodynamics":"Vinorelbine is a vinca alkaloid antineoplastic agent used as a treatment for various cancers including breast cancer, Hodgkin's disease, Kaposi's sarcoma, and testicular cancer. The vinca alkaloids are structurally similar compounds comprised of 2 multiringed units, vindoline and catharanthine. The vinca alkaloids have become clinically useful since the discovery of their antitumour properties in 1959. Initially, extracts of the periwinkle plant (\u003ci\u003eCatharanthus roseus\u003c/i\u003e) were investigated because of putative hypoglycemic properties, but were noted to cause marrow suppression in rats and antileukemic effects \u003ci\u003ein vitro\u003c/i\u003e. Vinorelbine binds to the microtubular proteins of the mitotic spindle, leading to crystallization of the microtubule and mitotic arrest or cell death. Vinorelbine has some immunosuppressant effect. The vinca alkaloids are considered to be cell cycle phase-specific.","Absorption":"","Interactions":[{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00289"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB00954"},{"ID":"DB00199"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01097"},{"ID":"DB01601"},{"ID":"DB01110"},{"ID":"DB00108"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01263"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB06145"},{"ID":"DB00976"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT001060","Name":"Vinorelbine Ditartrate"},{"ID":"DBSALT000447","Name":"Vinorelbine Tartrate"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00439","Drugs":["DB00361"]}]},{"ID":"DB00362","Name":"Anidulafungin","DrugType":"small molecule","HalfLife":"40-50 hours","Description":"Anidulafungin or Eraxis is an anti-fungal drug manufactured by Pfizer that gained approval by the Food and Drug Administration (FDA) in February 21, 2006; it was previously known as LY303366. There is preliminary evidence that it has a similar safety profile to caspofungin. [Wikipedia]","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use in the treatment of the following fungal infections: Candidemia and other forms of \u003ci\u003eCandida\u003c/i\u003e infections (intra-abdominal abscess, and peritonitis), Aspergillus infections, and esophageal candidiasis. Also considered an alternative treatment for oropharyngeal canaidiasis.","Toxicity":"During clinical trials a single 400 mg dose of anidulafungin was inadvertently administered as a loading dose. No clinical adverse events were reported. The maximum non-lethal dose of anidulafungin in rats was 50 mg/kg, a dose which is equivalent to 10 times the recommended daily dose for esophageal candidiasis (50mg/day).","MechanismOfAction":"Anidulafungin is a semi-synthetic echinocandin with antifungal activity. Anidulafungin inhibits glucan synthase, an enzyme present in fungal, but not mammalian cells. This results in inhibition of the formation of 1,3-\u0026beta;-D-glucan, an essential component of the fungal cell wall, ultimately leading to osmotic instability and cell death.","Pharmacodynamics":"Anidulafungin is a semi-synthetic lipopeptide synthesized from a fermentation product of \u003ci\u003eAspergillus nidulans\u003c/i\u003e. Anidulafungin is an echinocandin, a class of antifungal drugs that inhibits the synthesis of 1,3-\u0026beta;-D-glucan, an essential component of fungal cell walls. Anidulafungin is active in vitro against many \u003ci\u003eCandida\u003c/i\u003e, as well as some \u003ci\u003eAspergillus\u003c/i\u003e. Like other echinocandins, anidulafungin is not active against \u003ci\u003eCryptococcus neoformans\u003c/i\u003e, \u003ci\u003eTrichosporon\u003c/i\u003e, \u003ci\u003eFusarium\u003c/i\u003e, or zygomycetes.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00363","Name":"Clozapine","DrugType":"small molecule","HalfLife":"8 hours (range 4-12 hours)","Description":"A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent. [PubChem]","Classification":{"Description":"This compound belongs to the dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by a diazepine ring.","DirectParent":"Dibenzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":"Dibenzodiazepines"},"Indication":"For use in patients with treatment-resistant schizophrenia.","Toxicity":"Clozapine carries a black-box warning for agranulocytosis.","MechanismOfAction":"Clozapine's antipsychotic action is likely mediated through a combination of antogistic effects at D2 receptors in the mesolimbic pathway and 5-HT2A receptors in the frontal cortex. D2 antagonism relieves positive symptoms while 5-HT2A antagonism alleviates negative symptoms.","Pharmacodynamics":"Clozapine is a psychotropic agent belonging to the chemical class of benzisoxazole derivatives and is indicated for the treatment of schizophrenia. Clozapine is a selective monoaminergic antagonist with high affinity for the serotonin Type 2 (5HT\u003csub\u003e2\u003c/sub\u003e), dopamine Type 2 (D2), 1 and 2 adrenergic, and H1 histaminergic receptors. Clozapine acts as an antagonist at other receptors, but with lower potency. Antagonism at receptors other than dopamine and 5HT\u003csub\u003e2\u003c/sub\u003e with similar receptor affinities may explain some of the other therapeutic and side effects of Clozapine. Clozapine's antagonism of muscarinic M1-5 receptors may explain its anticholinergic effects. Clozapine's antagonism of histamine H1 receptors may explain the somnolence observed with this drug. Clozapine's antagonism of adrenergic a1 receptors may explain the orthostatic hypotension observed with this drug.","Absorption":"Rapid and almost complete","Interactions":[{"ID":"DB05773"},{"ID":"DB08885"},{"ID":"DB00041"},{"ID":"DB00404"},{"ID":"DB00112"},{"ID":"DB01558"},{"ID":"DB00201"},{"ID":"DB00564"},{"ID":"DB00475"},{"ID":"DB00501"},{"ID":"DB01594"},{"ID":"DB00537"},{"ID":"DB00215"},{"ID":"DB00349"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00829"},{"ID":"DB01551"},{"ID":"DB00843"},{"ID":"DB00199"},{"ID":"DB01215"},{"ID":"DB00754"},{"ID":"DB01544"},{"ID":"DB00472"},{"ID":"DB00690"},{"ID":"DB00176"},{"ID":"DB01320"},{"ID":"DB00674"},{"ID":"DB00056"},{"ID":"DB00801"},{"ID":"DB00502"},{"ID":"DB00078"},{"ID":"DB01321"},{"ID":"DB01587"},{"ID":"DB00555"},{"ID":"DB00186"},{"ID":"DB00532"},{"ID":"DB00683"},{"ID":"DB00745"},{"ID":"DB01595"},{"ID":"DB01059"},{"ID":"DB08935"},{"ID":"DB00842"},{"ID":"DB01229"},{"ID":"DB00252"},{"ID":"DB01588"},{"ID":"DB01589"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01104"},{"ID":"DB00382"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00231"},{"ID":"DB04844"},{"ID":"DB00730"},{"ID":"DB08895"},{"ID":"DB00193"},{"ID":"DB00897"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB06684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00364","Name":"Sucralfate","DrugType":"small molecule","HalfLife":"Not known.","Description":"A basic aluminum complex of sulfated sucrose. [PubChem]","Classification":{"Description":"This compound belongs to the mixed pentose/hexose disaccharides. These are disaccharides containing both an hexose and a pentose.","DirectParent":"Mixed Pentose/Hexose Disaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"For the short-term treatment (up to 8 weeks) of active duodenal ulcer, as well as maintenance therapy for duodenal ulcer patients at reduced dosage (1 gram twice a day) after healing of acute ulcers. Also used for the short-term treatment of gastric ulcer.","Toxicity":"Acute oral toxicity (LD\u003csub\u003e50\u003c/sub\u003e) in mice is \u003e8000 mg/kg. There is limited experience in humans with overdosage of sucralfate. Sucralfate is only minimally absorbed from the gastrointestinal tract and thus risks associated with acute overdosage should be minimal. In rare reports describing sucralfate overdose, most patients remained asymptomatic.","MechanismOfAction":"Although sucralfate's mechanism is not entirely understood, there are several factors that most likely contribute to its action. Sucralfate, with its strong negative charge, binds to exposed positively-charged proteins at the base of ulcers. In this way, it coats the ulcer and forms a physical barrier that protects the ulcer surface from further injury by acid and pepsin. It directly inhibits pepsin (an enzyme that breaks apart proteins) in the presence of stomach acid and binds bile salts coming from the liver via the bile thus protecting the stomach lining from injury caused by the bile acids. Sucralfate may increase prostaglandin production. Prostaglandins are known to protect the lining of the stomach and may also bind epithelial growth factor and fibroblast growth factor, both of which enhance the growth and repair mechanism of the stomach lining.","Pharmacodynamics":"Sucralfate is a prescription medication used to treat peptic ulcers. The current clinical uses of sucralfate are limited. It is effective for the healing of duodenal ulcers, but it is not frequently used for this since more effective drugs (e.g. proton pump inhibitors) have been developed. Although the mechanism of sucralfate's ability to accelerate healing of duodenal ulcers remains to be fully defined, it is known that it exerts its effect through a local, rather than systemic, action. Chemically, sucralfate is a complex of the disaccharide sugar, sucrose, combined with sulfate and aluminum. In acidic solutions (e.g. gastric acid) it forms a thick paste that has a strong negative charge.","Absorption":"Minimally absorbed from the gastrointestinal tract (up to 5% of the disaccharide component and less than 0.02% of aluminum).","Interactions":[{"ID":"DB02300"},{"ID":"DB00169"},{"ID":"DB00537"},{"ID":"DB00720"},{"ID":"DB01077"},{"ID":"DB01320"},{"ID":"DB01044"},{"ID":"DB01155"},{"ID":"DB00365"},{"ID":"DB00710"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00448"},{"ID":"DB01137"},{"ID":"DB00451"},{"ID":"DB00218"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB00252"},{"ID":"DB00685"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00365","Name":"Grepafloxacin","DrugType":"small molecule","HalfLife":"15 \u0026plusmn; 3 hours","Description":"Grepafloxacin is an oral broad-spectrum quinoline antibacterial agent used to treat bacterial infections. Grepafloxacin was withdrawn in the United States due to its side effect of lengthening the QT interval on the electrocardiogram, leading to cardiac events and sudden death. [Wikipedia]","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For treatment of adults with mild to moderate infections caused by susceptible strains of \u003ci\u003eHaemophilus influenzae\u003c/i\u003e, \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, or \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e.","Toxicity":"Withdrawn from the US market in 1999 due to associations with QTc prolongation and adverse cardiovascular events.","MechanismOfAction":"Grepafloxacin exerts its antibacterial activity by inhibiting bacterial topoisomerase II (DNA gyrase) and topoisomerase IV, essential enzymes for duplication, transcription, and repair of bacterial DNA.","Pharmacodynamics":"Grepafloxacin has in vitro activity against a wide range of gram-positive and gram-negative aerobic microorganisms, as well as some atypical microorganisms.","Absorption":"Rapidly and extensively absorbed following oral administration. The absolute bioavailability is approximately 70%.","Interactions":[{"ID":"DB01370"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00637"},{"ID":"DB01244"},{"ID":"DB01158"},{"ID":"DB00201"},{"ID":"DB01373"},{"ID":"DB00477"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01341"},{"ID":"DB00280"},{"ID":"DB01142"},{"ID":"DB00651"},{"ID":"DB06210"},{"ID":"DB00199"},{"ID":"DB00623"},{"ID":"DB00458"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01321"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00540"},{"ID":"DB01303"},{"ID":"DB00850"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB00777"},{"ID":"DB00344"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00489"},{"ID":"DB00364"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00726"},{"ID":"DB01593"}],"Salts":[{"ID":"DBSALT000913","Name":"Grepafloxacin hydrochloride"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00366","Name":"Doxylamine","DrugType":"small molecule","HalfLife":"10 hours","Description":"Histamine H1 antagonist with pronounced sedative properties. It is used in allergies and as an antitussive, antiemetic, and hypnotic. Doxylamine has also been administered in veterinary applications and was formerly used in parkinsonism. [PubChem]","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"Used alone as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief drug. Also used in combination with Vitamin B6 (pyridoxine) to prevent morning sickness in pregnant women.","Toxicity":"Signs of overdose include wheezing, tightness in the chest, fever, itching, bad cough, blue skin color, fits, swelling of face, lips, tongue, or throat.","MechanismOfAction":"Like other antihistamines, doxylamine acts by competitively inhibiting histamine at H1\u0026nbsp;receptors. It also has substantial sedative and anticholinergic effects.","Pharmacodynamics":"Doxylamine is an antihistamine commonly used as a sleep aid. This drug is also used to relieve symptoms of hay fever (allergic rhinitis), hives (rash or itching), and other allergic reactions. Doxylamine is a member of the ethanolamine class of antihistamines and has anti-allergy power far superior to virtually every other antihistamine on the market, with the exception of diphenhydramine (Benadryl). It is also the most powerful over-the-counter sedative available in the United States, and more sedating than many prescription hypnotics. In a study, it was found to be superior to even the barbiturate, phenobarbital for use as a sedative. Doxylamine is also a potent anticholinergic.","Absorption":"Readily absorbed via the gastrointestinal tract.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB01278"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00367","Name":"Levonorgestrel","DrugType":"small molecule","HalfLife":"","Description":"A synthetic progestational hormone with actions similar to those of progesterone and about twice as potent as its racemic or (+-)-isomer (norgestrel). It is used for contraception, control of menstrual disorders, and treatment of endometriosis. It is usually supplied in a racemic mixture (Norgestrel, 6533-00-2). Only the levonorgestrel isomer is active. Levonorgestrel is marketed mostly as a combination oral contraceptive under several brand names such as Alesse, Triphasil, and Min-Ovral. ","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"For the treatment of menopausal and postmenopausal disorders and alone or in combination with other hormones as an oral contraceptive.","Toxicity":"LD50 \u003e5000 mg/kg (orally in rats)","MechanismOfAction":"Binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like levonorgestrel will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge.","Pharmacodynamics":"Levonorgestrel is a progestin or a synthetic form of the naturally occurring female sex hormone, progesterone. In a woman's normal menstrual cycle, an egg matures and is released from the ovaries (ovulation). The ovary then produces progesterone, preventing the release of further eggs and priming the lining of the womb for a possible pregnancy. If pregnancy occurs, progesterone levels in the body remain high, maintaining the womb lining. If pregnancy does not occur, progesterone levels in the body fall, resulting in a menstrual period. Levonorgestrel tricks the body processes into thinking that ovulation has already occurred, by maintaining high levels of the synthetic progesterone. This prevents the release of eggs from the ovaries.","Absorption":"Levonorgestrel is not subjected to a \"first-pass\" effect and is virtually 100% bioavailable.","Interactions":[{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB06697"},{"ID":"DB00307"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB00930"},{"ID":"DB01341"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB01346"},{"ID":"DB00418"},{"ID":"DB00306"},{"ID":"DB00599"},{"ID":"DB00755"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00368","Name":"Norepinephrine","DrugType":"small molecule","HalfLife":"","Description":"Precursor of epinephrine that is secreted by the adrenal medulla and is a widespread central and autonomic neurotransmitter. Norepinephrine is the principal transmitter of most postganglionic sympathetic fibers and of the diffuse projection system in the brain arising from the locus ceruleus. It is also found in plants and is used pharmacologically as a sympathomimetic. [PubChem]","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"Mainly used to treat patients in vasodilatory shock states such as septic shock and neurogenic shock and has shown a survival benefit over dopamine. Also used as a vasopressor medication for patients with critical hypotension.","Toxicity":"In high dose and especially when it is combined with other vasopressors, it can lead to limb ischemia and limb death.","MechanismOfAction":"Norepinephrine functions as a peripheral vasoconstrictor by acting on alpha-adrenergic receptors. It is also an inotropic stimulator of the heart and dilator of coronary arteries as a result of it's activity at the beta-adrenergic receptors.","Pharmacodynamics":"Noradrenaline acts on both alpha-1 and alpha-2 adrenergic receptors to cause vasoconstriction. Its effect in-vitro is often limited to the increasing of blood pressure through antagonising alpha-1 and alpha-2 receptors and causing a resultant increase in systemic vascular resistance.","Absorption":"","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01142"},{"ID":"DB00494"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00726"},{"ID":"DB00285"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00680","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00424","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00689","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00392","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00414","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00425","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00690","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00679","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00394","Drugs":["DB00368","DB00988","DB01161","DB01345","DB01373"]},{"ID":"SMP00399","Drugs":["DB00368","DB00961","DB00988","DB01345","DB01373"]},{"ID":"SMP00411","Drugs":["DB00368","DB00956","DB00988","DB01345","DB01373"]},{"ID":"SMP00422","Drugs":["DB00368","DB00988","DB01151","DB01345","DB01373"]},{"ID":"SMP00675","Drugs":["DB00368","DB00988","DB01081","DB01345","DB01373"]},{"ID":"SMP00687","Drugs":["DB00368","DB00704","DB00988","DB01345","DB01373"]},{"ID":"SMP00393","Drugs":["DB00297","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00396","Drugs":["DB00368","DB00527","DB00988","DB01345","DB01373"]},{"ID":"SMP00401","Drugs":["DB00368","DB00750","DB00988","DB01345","DB01373"]},{"ID":"SMP00408","Drugs":["DB00333","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00413","Drugs":["DB00368","DB00802","DB00988","DB01345","DB01373"]},{"ID":"SMP00415","Drugs":["DB00368","DB00813","DB00988","DB01345","DB01373"]},{"ID":"SMP00677","Drugs":["DB00368","DB00988","DB01227","DB01345","DB01373"]},{"ID":"SMP00684","Drugs":["DB00368","DB00921","DB00988","DB01345","DB01373"]},{"ID":"SMP00395","Drugs":["DB00368","DB00907","DB00988","DB01345","DB01373"]},{"ID":"SMP00400","Drugs":["DB00368","DB00892","DB00988","DB01345","DB01373"]},{"ID":"SMP00412","Drugs":["DB00368","DB00988","DB01192","DB01345","DB01373"]},{"ID":"SMP00423","Drugs":["DB00368","DB00988","DB01151","DB01345","DB01373"]},{"ID":"SMP00676","Drugs":["DB00368","DB00988","DB01209","DB01345","DB01373"]},{"ID":"SMP00681","Drugs":["DB00368","DB00988","DB01345","DB01373","DB01466"]},{"ID":"SMP00683","Drugs":["DB00368","DB00504","DB00988","DB01345","DB01373"]},{"ID":"SMP00688","Drugs":["DB00368","DB00988","DB01183","DB01345","DB01373"]},{"ID":"SMP00397","Drugs":["DB00368","DB00988","DB01002","DB01345","DB01373"]},{"ID":"SMP00402","Drugs":["DB00368","DB00721","DB00988","DB01345","DB01373"]},{"ID":"SMP00404","Drugs":["DB00296","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00409","Drugs":["DB00368","DB00497","DB00988","DB01345","DB01373"]},{"ID":"SMP00416","Drugs":["DB00368","DB00899","DB00988","DB01345","DB01373"]},{"ID":"SMP00671","Drugs":["DB00193","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00673","Drugs":["DB00368","DB00854","DB00988","DB01345","DB01373"]},{"ID":"SMP00678","Drugs":["DB00368","DB00988","DB01345","DB01373","DB01433"]},{"ID":"SMP00685","Drugs":["DB00368","DB00988","DB01345","DB01373","DB06274"]},{"ID":"SMP00398","Drugs":["DB00281","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00403","Drugs":["DB00368","DB00807","DB00988","DB01345","DB01373"]},{"ID":"SMP00410","Drugs":["DB00327","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00417","Drugs":["DB00368","DB00708","DB00988","DB01345","DB01373"]},{"ID":"SMP00426","Drugs":["DB00368","DB00472","DB00988","DB01345","DB01373"]},{"ID":"SMP00672","Drugs":["DB00368","DB00647","DB00988","DB01345","DB01373"]},{"ID":"SMP00674","Drugs":["DB00368","DB00913","DB00988","DB01345","DB01373"]},{"ID":"SMP00686","Drugs":["DB00368","DB00652","DB00988","DB01345","DB01373"]},{"ID":"SMP00691","Drugs":["DB00368","DB00844","DB00988","DB01345","DB01373"]},{"ID":"SMP00406","Drugs":["DB00295","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00407","Drugs":["DB00295","DB00368","DB00988","DB01345","DB01373","DB01452","DB03166"]},{"ID":"SMP00405","Drugs":["DB00295","DB00318","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00431","Drugs":["DB00184","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00170","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00012","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00497","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB00369","Name":"Cidofovir","DrugType":"small molecule","HalfLife":"2.4 to 3.2 hours","Description":"Cidofovir is an injectable antiviral medication for the treatment of cytomegalovirus (CMV) retinitis in patients with AIDS. It suppresses CMV replication by selective inhibition of viral DNA synthesis. [Wikipedia]","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the treatment of CMV retinitis in patients with acquired immunodeficiency syndrome (AIDS)","Toxicity":"Kidney damage, fall in the number of white blood cells, decreased platelets","MechanismOfAction":"Cidofovir acts through the selective inhibition of viral DNA polymerase.Biochemical data support selective inhibition of CMV DNA polymerase by cidofovir diphosphate, the active intracellular metabolite of cidofovir. Cidofovir diphosphate inhibits herpesvirus polymerases at concentrations that are 8- to 600-fold lower than those needed to inhibit human cellular DNA polymerase alpha, beta, and gamma(1,2,3). Incorporation of cidofovir into the growing viral DNA chain results in reductions in the rate of viral DNA synthesis.","Pharmacodynamics":"Cidofovir is a new anti-viral drug. It is classified as a nucleotide analogue and is active against herpes cytomegalovirus (CMV) retinitis infection. Most adults are infected with CMV. Cidofovir suppresses cytomegalovirus (CMV) replication by selective inhibition of viral DNA synthesis. ","Absorption":"100%","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00370","Name":"Mirtazapine","DrugType":"small molecule","HalfLife":"20-40 hours","Description":"Mirtazapine is an antidepressant introduced by Organon International in 1996 used for the treatment of moderate to severe depression. Mirtazapine has a tetracyclic chemical structure and is classified as a noradrenergic and specific serotonergic antidepressant (NaSSA). It is the only tetracyclic antidepressant that has been approved by the Food and Drug Administration to treat depression. [Wikipedia]","Classification":{"Description":"This compound belongs to the piperazinoazepines. These are compounds containing a piperazinoazepine skeleton, which consists of an azepie ring fused to a piperazine.","DirectParent":"Piperazinoazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazinoazepines","SubClass":""},"Indication":"For the treatment of major depressive disorder.","Toxicity":"Symptoms of overdose include disorientation, drowsiness, impaired memory, and tachycardia. LD50 is 600-720mg/kg (oral, mice) and 320-490mg/kg (oral, rat) [PMID: 10333982]","MechanismOfAction":"Mirtazapine acts as an antagonist at central pre-synaptic alpha(2)-receptors, inhibiting negative feedback to the presynaptic nerve and causing an increase in NE release. Blockade of heteroreceptors, alpha(2)-receptors contained in serotenergic neurons, enhances the release of 5-HT, increasing the interactions between 5-HT and 5-HT\u003csub\u003e1\u003c/sub\u003e receptors and contributing to the anxiolytic effects of mirtazapine. Mirtazapine also acts as a weak antagonist at 5-HT\u003csub\u003e1\u003c/sub\u003e receptors and as a potent antagonist at 5-HT\u003csub\u003e2\u003c/sub\u003e (particularly subtypes 2A and 2C) and 5-HT\u003csub\u003e3\u003c/sub\u003e receptors. Blockade of these receptors may explain the lower incidence of adverse effects such as anxiety, insomnia, and nausea. Mirtazapine also exhibits significant antagonism at H1-receptors, resulting in sedation. Mirtazapine has no effects on the reuptake of either NE or 5-HT and has only minimal activity at dopaminergic and muscarinic receptors.","Pharmacodynamics":"Mirtazapine, an antidepressant of the piperazinoazepine class, is a tetracyclic compound with an anxiolytic effect. Mirtazapine has fewer ADRs than tricyclic antidepressants and is better tolerated. Selective blockade of specific serotonin receptors by mirtazapine likey minimizes side effects typical of other antidepressants.","Absorption":"Rapid and complete, but, due to first-pass metabolism, absolute bioavailability is 50%.","Interactions":[{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB00843"},{"ID":"DB00754"},{"ID":"DB00176"},{"ID":"DB01320"},{"ID":"DB00674"},{"ID":"DB01247"},{"ID":"DB00532"},{"ID":"DB00780"},{"ID":"DB00252"},{"ID":"DB01367"},{"ID":"DB00989"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00371","Name":"Meprobamate","DrugType":"small molecule","HalfLife":"Plasma half-life is about 10 hours.","Description":"A carbamate with hypnotic, sedative, and some muscle relaxant properties, although in therapeutic doses reduction of anxiety rather than a direct effect may be responsible for muscle relaxation. Meprobamate has been reported to have anticonvulsant actions against petit mal seizures, but not against grand mal seizures (which may be exacerbated). It is used in the treatment of anxiety disorders, and also for the short-term management of insomnia but has largely been superseded by the benzodiazepines. (From Martindale, The Extra Pharmacopoeia, 30th ed, p603) Meprobamate is a controlled substance in the U.S.","Classification":{"Description":"This compound belongs to the carbamic acids and derivatives. These are compounds comprising the carbamic acid functional group or a derivative thereof.","DirectParent":"Carbamic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the management of anxiety disorders or for the short-term relief of the symptoms of anxiety.","Toxicity":"Symptoms of overdose include coma, drowsiness, loss of muscle control, severely impaired breathing, shock, sluggishness, and unresponsiveness. Death has been reported with ingestion of as little as 12 g meprobamate and survival with as much as 40 g.","MechanismOfAction":"Meprobamate's mechanism of action is not known. It has been shown in animal studies to have effects at multiple sites in the central nervous system, including the thalamus and limbic system. Meprobamate binds to GABA\u003csub\u003eA\u003c/sub\u003e receptors which interrupt neuronal communication in the reticular formation and spinal cord, causing sedation and altered perception of pain.","Pharmacodynamics":"Meprobamate is an anxiolytic drug. It was the best selling minor tranquilizer for a time but has largely been replaced by benzodiazepines. Meprobamate has most of the pharmacological effects and dangers of the barbiturates (though it was marketed as being safer). However, it is less sedating at effective doses. It is reported to have some anticonvulsant properties against absence seizures, but can exacerbate generalized tonic-clonic seizures. It has also been used as a hypnotic (sleeping pill). However, its is currently only licensed as an anxiolytic and it is a third or fourth-order choice.","Absorption":"Well absorbed from the gastrointestinal tract.","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00607","Drugs":["DB00371","DB00544","DB01101"]},{"ID":"SMP00469","Drugs":["DB00371","DB00544","DB01101"]}]},{"ID":"DB00372","Name":"Thiethylperazine","DrugType":"small molecule","HalfLife":"","Description":"A dopamine antagonist that is particularly useful in treating the nausea and vomiting associated with anesthesia, mildly emetic cancer chemotherapy agents, radiation therapy, and toxins. This piperazine phenothiazine does not prevent vertigo or motion sickness. (From AMA Drug Evaluations Annual, 1994, p457)","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the treatment or relief of nausea and vomiting.","Toxicity":"Manifestations of acute overdosage of TORECAN (thiethylperazine) can be expected to reflect the CNS effects of the drug and include extrapyramidal symptoms (E.P.S), confusion and convulsions with reduced or absent reflexes, respiratory depression and hypotension.","MechanismOfAction":"Thiethylperazine is an antagonist at types 1, 2, and 4 dopamine receptors, 5-HT receptor types 2A and 2C, muscarinic receptors 1 through 5, alpha(1)-receptors, and histamine H1-receptors. Thiethylperazine's antipsychotic effect is due to antagonism at dopamine and serotonin type 2 receptors, with greater activity at serotonin 5-HT2 receptors than at dopamine type-2 receptors. This may explain the lack of extrapyramidal effects. Thiethylperazine does not appear to block dopamine within the tubero-infundibular tract, explaining the lower incidence of hyperprolactinemia than with typical antipsychotic agents or risperidone. Antagonism at muscarinic receptors, H1-receptors, and alpha(1)-receptors also occurs with thiethylperazine.","Pharmacodynamics":"Thiethylperazine, an atypical antipsychotic agent, is used to treat both negative and positive symptoms of schizophrenia, acute mania with bipolar disorder, agitation, and psychotic symptoms in dementia. Future uses may include the treatment of obsessive-compulsive disorder and severe behavioral disorders in autism. Structurally and pharmacologically similar to clozapine, Thiethylperazine binds to alpha(1), dopamine, histamine H1, muscarinic, and serotonin type 2 (5-HT2) receptors.","Absorption":"","Interactions":[{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB00937"},{"ID":"DB00574"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB00579"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00342"}],"Salts":[{"ID":"DBSALT001059","Name":"Thiethylperazine Maleate"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00373","Name":"Timolol","DrugType":"small molecule","HalfLife":"2.5-5 hours","Description":"A beta-adrenergic antagonist similar in action to propranolol. The levo-isomer is the more active. Timolol has been proposed as an antihypertensive, antiarrhythmic, antiangina, and antiglaucoma agent. It is also used in the treatment of migraine disorders and tremor. [PubChem]","Classification":{"Description":"This compound belongs to the alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with formula R-O-R' , where R is an alkyl group and R' is an aryl group.","DirectParent":"Alkyl Aryl Ethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Alkyl Aryl Ethers"},"Indication":"In its oral form it is used to treat high blood pressure and prevent heart attacks, and occasionally to prevent migraine headaches. In its opthalmic form it is used to treat open-angle and occasionally secondary glaucoma.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1190 mg/kg (oral, mice), LD\u003csub\u003e50\u003c/sub\u003e=900 mg/kg (oral, rat). Symptoms of overdose include drowsiness, vertigo, headache, and atriventricular block.","MechanismOfAction":"Like propranolol and nadolol, timolol competes with adrenergic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart and vascular smooth muscle and beta(2)-receptors in the bronchial and vascular smooth muscle. Beta(1)-receptor blockade results in a decrease in resting and exercise heart rate and cardiac output, a decrease in both systolic and diastolic blood pressure, and, possibly, a reduction in reflex orthostatic hypotension. Beta(2)-blockade results in an increase in peripheral vascular resistance. The exact mechanism whereby timolol reduces ocular pressure is still not known. The most likely action is by decreasing the secretion of aqueous humor.","Pharmacodynamics":"Similar to propranolol and nadolol, timolol is a non-selective, beta-adrenergic receptor antagonist. Timolol does not have significant intrinsic sympathomimetic, direct myocardial depressant, or local anesthetic (membrane-stabilizing) activity, but does possess a relatively high degree of lipid solubility. Timolol, when applied topically to the eye, has the action of reducing elevated, as well as normal, intraocular pressure, whether or not accompanied by glaucoma. Elevated intraocular pressure is a major risk factor in the pathogenesis of glaucomatous visual field loss and optic nerve damage.","Absorption":"Bioavailability is about 60%","Interactions":[{"ID":"DB00414"},{"ID":"DB01223"},{"ID":"DB00482"},{"ID":"DB00672"},{"ID":"DB00501"},{"ID":"DB00575"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB00651"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00749"},{"ID":"DB00573"},{"ID":"DB01288"},{"ID":"DB00712"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB05334"},{"ID":"DB01064"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB00281"},{"ID":"DB01283"},{"ID":"DB00939"},{"ID":"DB00814"},{"ID":"DB00968"},{"ID":"DB00247"},{"ID":"DB00461"},{"ID":"DB00788"},{"ID":"DB00816"},{"ID":"DB00991"},{"ID":"DB01303"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB01366"},{"ID":"DB00912"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB00605"},{"ID":"DB01162"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00277"},{"ID":"DB01600"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00500"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT000990","Name":"Timolol hemihydrate"},{"ID":"DBSALT000989","Name":"Timolol maleate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00659","Drugs":["DB00373","DB01345","DB01373"]}]},{"ID":"DB00374","Name":"Treprostinil","DrugType":"small molecule","HalfLife":"Terminal elimination half-life is approximately 2 to 4 hours. Plasma half-life is 34 and 85 minutes for intravenous and subcutaneous infusion of the drug, respectively.","Description":"Treprostinil is a synthetic analogue of prostacyclin, used to treat pulmonary hypertension. Treprostinil is marketed as Remodulin\u0026reg;. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"For use as a continuous subcutaneous infusion or intravenous infusion (for those not able to tolerate a subcutaneous infusion) for the treatment of pulmonary arterial hypertension in patients with NYHA Class II-IV symptoms to diminish symptoms associated with exercise.","Toxicity":"Symptoms of overdose are extensions of its dose-limiting pharmacologic effects and include flushing, headache, hypotension, nausea, vomiting, and diarrhea. Most events were self-limiting and resolved with reduction or withholding of treprostinil.","MechanismOfAction":"The major pharmacological actions of treprostinil are direct vasodilation of pulmonary and systemic arterial vascular beds and inhibition of platelet aggregation. In addition to treprostinil's direct vasodilatory effects, it also inhibits inflammatory cytokine. As a synthetic analogue of prostacyclin, it binds to the prostacyclin receptor, which subsequently induces the aforementioned downstream effects.","Pharmacodynamics":"Pulmonary arterial hypertension (PAH) is a disease in which blood pressure is abnormally high in the arteries between the heart and lungs. PAH is characterized by symptoms of shortness of breath during physical exertion. The condition can ultimately lead to heart failure. Treprostinil is a potent oral antiplatelet agent. The major pharmacologic actions of treprostinil are direct vasodilation of pulmonary and systemic arterial vascular beds and inhibition of platelet aggregation. In animals, the vasodilatory effects reduce right and left ventricular afterload and increase cardiac output and stroke volume. Other studies have shown that treprostinil causes a dose-related negative inotropic and lusitropic effect. No major effects on cardiac conduction have been observed.","Absorption":"Relatively rapid and complete after subcutaneous infusion, with an absolute bioavailability approximately 100%. In patients with mild (n=4) or moderate (n=5) hepatic insufficiency and portopulmonary hypertension following a subcutaneous dose of 10 ng per kg of body weight per min for 150 mins the AUC 0-\u0026infin; was increased 3-fold and 5-fold respectively.","Interactions":[{"ID":"DB00054"},{"ID":"DB01193"},{"ID":"DB01418"},{"ID":"DB00819"},{"ID":"DB00945"},{"ID":"DB00594"},{"ID":"DB00233"},{"ID":"DB00381"},{"ID":"DB01612"},{"ID":"DB00261"},{"ID":"DB00964"},{"ID":"DB00278"},{"ID":"DB00335"},{"ID":"DB00542"},{"ID":"DB00436"},{"ID":"DB00195"},{"ID":"DB00612"},{"ID":"DB00006"},{"ID":"DB00484"},{"ID":"DB00887"},{"ID":"DB00796"},{"ID":"DB01197"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00482"},{"ID":"DB04846"},{"ID":"DB00880"},{"ID":"DB00310"},{"ID":"DB01340"},{"ID":"DB01166"},{"ID":"DB00215"},{"ID":"DB04920"},{"ID":"DB00575"},{"ID":"DB00758"},{"ID":"DB04838"},{"ID":"DB00633"},{"ID":"DB00586"},{"ID":"DB01144"},{"ID":"DB00861"},{"ID":"DB00343"},{"ID":"DB00975"},{"ID":"DB00590"},{"ID":"DB01395"},{"ID":"DB00055"},{"ID":"DB00584"},{"ID":"DB01225"},{"ID":"DB00700"},{"ID":"DB00876"},{"ID":"DB00063"},{"ID":"DB01175"},{"ID":"DB00187"},{"ID":"DB00903"},{"ID":"DB00749"},{"ID":"DB01023"},{"ID":"DB00573"},{"ID":"DB00472"},{"ID":"DB00712"},{"ID":"DB00176"},{"ID":"DB00492"},{"ID":"DB00695"},{"ID":"DB00629"},{"ID":"DB01018"},{"ID":"DB01109"},{"ID":"DB01275"},{"ID":"DB00999"},{"ID":"DB00774"},{"ID":"DB01050"},{"ID":"DB00808"},{"ID":"DB00328"},{"ID":"DB01029"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB00270"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB00598"},{"ID":"DB00001"},{"ID":"DB01210"},{"ID":"DB00722"},{"ID":"DB00678"},{"ID":"DB01283"},{"ID":"DB00742"},{"ID":"DB00939"},{"ID":"DB00784"},{"ID":"DB00814"},{"ID":"DB00703"},{"ID":"DB00232"},{"ID":"DB01214"},{"ID":"DB00524"},{"ID":"DB00264"},{"ID":"DB00350"},{"ID":"DB00691"},{"ID":"DB00461"},{"ID":"DB01203"},{"ID":"DB00788"},{"ID":"DB04861"},{"ID":"DB04899"},{"ID":"DB00622"},{"ID":"DB01115"},{"ID":"DB00393"},{"ID":"DB00401"},{"ID":"DB01054"},{"ID":"DB00727"},{"ID":"DB00325"},{"ID":"DB00275"},{"ID":"DB00991"},{"ID":"DB01580"},{"ID":"DB01113"},{"ID":"DB00715"},{"ID":"DB01359"},{"ID":"DB00790"},{"ID":"DB00925"},{"ID":"DB00692"},{"ID":"DB00960"},{"ID":"DB00554"},{"ID":"DB01324"},{"ID":"DB00457"},{"ID":"DB00881"},{"ID":"DB00178"},{"ID":"DB00206"},{"ID":"DB06228"},{"ID":"DB01399"},{"ID":"DB01104"},{"ID":"DB00489"},{"ID":"DB00421"},{"ID":"DB00605"},{"ID":"DB00966"},{"ID":"DB01162"},{"ID":"DB01600"},{"ID":"DB00208"},{"ID":"DB00373"},{"ID":"DB00775"},{"ID":"DB00697"},{"ID":"DB00797"},{"ID":"DB00500"},{"ID":"DB00214"},{"ID":"DB00519"},{"ID":"DB00384"},{"ID":"DB01021"},{"ID":"DB03904"},{"ID":"DB00177"},{"ID":"DB00661"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00375","Name":"Colestipol","DrugType":"small molecule","HalfLife":"","Description":"Highly crosslinked and insoluble basic anion exchange resin used as anticholesteremic. It may also may reduce triglyceride levels. [PubChem]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For use, as adjunctive therapy to diet, for the reduction of elevated serum total and LDL-C in patients with primary hypercholesterolemia (elevated LDL-C) who do not respond adequately to diet.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is \u003e 1000 mg/kg. Symptoms of overdose may include eye irritation, constipation, abdominal cramps, nausea, vomiting, diarrhea, and hypersensitivity. However, as colestipol is not absorbed, the risk of systemic toxicity is low.","MechanismOfAction":"Colestipol is a non-absorbed, lipid-lowering polymer that binds bile acids in the intestine, impeding their reabsorption. As the bile acid pool becomes depleted, the hepatic enzyme, cholesterol 7-(alpha)-hydroxylase, is upregulated, which increases the conversion of cholesterol to bile acids. This causes an increased demand for cholesterol in the liver cells, resulting in the dual effect of increasing transcription and activity of the cholesterol biosynthetic enzyme, hydroxymethyl-glutaryl-coenzyme A (HMG-CoA) reductase, and increasing the number of hepatic low-density lipoprotein (LDL) receptors. These compensatory effects result in increased clearance of LDL cholesterol (LDL-C) from the blood, resulting in decreased serum LDL-C levels. Serum triglyceride levels may increase or remain unchanged. The end result is increased clearance of LDL-cholesterol from the blood with decreased serum LDL-cholesterol.","Pharmacodynamics":"Cholesterol is the major, and probably the sole precursor of bile acids. During normal digestion, bile acids are secreted via the bile from the liver and gall bladder into the intestines. Bile acids emulsify the fat and lipid materials present in food, thus facilitating absorption. A major portion of the bile acids secreted is reabsorbed from the intestines and returned via the portal circulation to the liver, thus completing the enterohepatic cycle. Only very small amounts of bile acids are found in normal serum. Colestipol hydrochloride binds bile acids in the intestine forming a complex that is excreted in the feces. This nonsystemic action results in a partial removal of the bile acids from the enterohepatic circulation, preventing their reabsorption. Since colestipol hydrochloride is an anion exchange resin, the chloride anions of the resin can be replaced by other anions, usually those with a greater affinity for the resin than the chloride ion.","Absorption":"Not absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00880"},{"ID":"DB00169"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB01095"},{"ID":"DB00741"},{"ID":"DB00451"},{"ID":"DB00279"},{"ID":"DB01583"},{"ID":"DB08827"},{"ID":"DB00481"},{"ID":"DB00605"},{"ID":"DB01584"},{"ID":"DB01600"},{"ID":"DB00500"},{"ID":"DB00214"},{"ID":"DB01021"},{"ID":"DB01586"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT001058","Name":"Colestipol Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00376","Name":"Trihexyphenidyl","DrugType":"small molecule","HalfLife":"3.3-4.1 hours","Description":"One of the centrally acting muscarinic antagonists used for treatment of parkinsonian disorders and drug-induced extrapyramidal movement disorders and as an antispasmodic. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Indicated for the treatment of parkinson's disease and extrapyramidal reactions caused by drugs.","Toxicity":"Symptoms of overdose include mydriasis, dryness of mucous membranes, red face, atonic states of bowels and bladder, and hyperthermia in high doses. Central consequences are agitation, confusion, and hallucinations. An untreated overdose may be fatal, particular in children. Premortal signs are respiratory depression and cardiac arrest.","MechanismOfAction":"Trihexyphenidyl is a selective M1 muscarinic acetylcholine receptor antagonist. It is able to discriminate between the M1 (cortical or neuronal) and the peripheral muscarinic subtypes (cardiac and glandular). Trihexyphenidyl partially blocks cholinergic activity in the CNS, which is responsible for the symptoms of Parkinson's disease. It is also thought to increase the availability of dopamine, a brain chemical that is critical in the initiation and smooth control of voluntary muscle movement.","Pharmacodynamics":"Trihexyphenidyl is an anticholinergic used in the symptomatic treatment of all etiologic groups of parkinsonism and drug induced extrapyramidal reactions (except tardive dyskinesia). Trihexyphenidyl possesses both anticholinergic and antihistaminic effects, although only the former has been established as therapeutically significant in the management of parkinsonism.","Absorption":"Trihexyphenidyl is rapidly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00761"},{"ID":"DB01278"},{"ID":"DB00989"},{"ID":"DB00021"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000448","Name":"Trihexyphenidyl Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00377","Name":"Palonosetron","DrugType":"small molecule","HalfLife":"Approximately 40 hours","Description":"Palonosetron (INN, trade name Aloxi) is a 5-HT3 antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). It is the most effective of the 5-HT3 antagonists in controlling delayed CINV nausea and vomiting that appear more than 24 hours after the first dose of a course of chemotherapy and is the only drug of its class approved for this use by the U.S. Food and Drug Administration. As of 2008, it is the most recent 5-HT3 antagonist to enter clinical use. [wikipedia]","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"For the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of moderately emetogenic cancer chemotherapy, as well as prevention of acute nausea and vomiting associated with highly emetogenic cancer chemotherapy. Also used for the prevention of postoperative nausea and vomiting for up to 24 hours post operation.","Toxicity":"A single intravenous dose of palonosetron at 30 mg/kg (947 and 474 times the human dose for rats and mice, respectively, based on body surface area) was lethal to rats and mice. The major signs of toxicity were convulsions, gasping, pallor, cyanosis and collapse.","MechanismOfAction":"Palonosetron is a selective serotonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonist. The antiemetic activity of the drug is brought about through the inhibition of 5-HT\u003csub\u003e3\u003c/sub\u003e receptors present both centrally (medullary chemoreceptor zone) and peripherally (GI tract). This inhibition of 5-HT\u003csub\u003e3\u003c/sub\u003e receptors in turn inhibits the visceral afferent stimulation of the vomiting center, likely indirectly at the level of the area postrema, as well as through direct inhibition of serotonin activity within the area postrema and the chemoreceptor trigger zone. Alternative mechanisms appear to be primarily responsible for delayed nausea and vomiting induced by emetogenic chemotherapy, since similar temporal relationships between between serotonin and emesis beyond the first day after a dose have not been established, and 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonists generally have not appeared to be effective alone in preventing or ameliorating delayed effects. It has been hypothesized that palonosetron's potency and long plasma half-life may contribute to its observed efficacy in preventing delayed nausea and vomiting caused by moderately emetogenic cancer chemotherapy.","Pharmacodynamics":"Palonosetron is an antinauseant and antiemetic agent indicated for the prevention of nausea and vomiting associated with moderately-emetogenic cancer chemotherapy and for the prevention of postoperative nausea and vomiting. Palonosetron is a highly specific and selective serotonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonist that is pharmacologically related to other 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonists, but differs structurally. Palonosetron has a high affinity for 5-HT\u003csub\u003e3\u003c/sub\u003e receptors, but has little to no affinity for other receptors. The serontonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptors are located on the nerve terminals of the vagus in the periphery, and centrally in the chemoreceptor trigger zone of the area postrema. It is suggested that chemotherapeutic agents release serotonin from the enterochromaffin cells of the small intestine by causing degenerative changes in the GI tract. The serotonin then stimulates the vagal and splanchnic nerve receptors that project to the medullary vomiting center, as well as the 5-HT3 receptors in the area postrema, thus initiating the vomiting reflex, causing nausea and vomiting.","Absorption":"Low oral bioavailability.","Interactions":null,"Salts":[{"ID":"DBSALT001057","Name":"Palonosetron Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00378","Name":"Dydrogesterone","DrugType":"small molecule","HalfLife":"Dydrogesterone: 5-7 hours, 20-dihydrodydrogesterone (DHD) metabolite: 14-17 hours","Description":"A synthetic progestational hormone with no androgenic or estrogenic properties. Unlike many other progestational compounds, dydrogesterone produces no increase in temperature and does not inhibit ovulation. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"Used to treat irregular duration of cycles and irregular occurrence and duration of periods caused by progesterone deficiency. Also used to prevent natural abortion in patients who have a history of habitual abortions.","Toxicity":"No serious or unexpected toxicity has been observed with dydrogesterone. In acute toxicity studies, the LD50 doses in rats exceeded 4,640mg/kg for the oral route.","MechanismOfAction":"Dydrogesterone is a progestogen that works by regulating the healthy growth and normal shedding of the womb lining by acting on progesterone receptors in the uterus.","Pharmacodynamics":"Dydrogesterone is an orally active progestogen which acts directly on the uterus, producing a complete secretory endometrium in an estrogen-primed uterus. At therapeutic levels, dydrogesterone has no contraceptive effect as it does not inhibit or interfere with ovulation or the corpus luteum. Furthermore, dydrogesterone is non-androgenic, non-estrogenic, non-corticoid, non-anabolic and is not excreted as pregnanediol. Dydrogesterone helps to regulate the healthy growth and normal shedding of the uterus lining. Therefore, it may be useful in the treatment of menstrual disorders such as absent, irregular or painful menstrual periods, infertility, premenstrual syndrome and endometriosis.","Absorption":"Rapidly absorbed in the gastrointestinal tract with a bioavailability of 28%.","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00379","Name":"Mexiletine","DrugType":"small molecule","HalfLife":"10-12 hours","Description":"Antiarrhythmic agent pharmacologically similar to lidocaine. It may have some anticonvulsant properties. [PubChem]","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the treatment of ventricular tachycardia and symptomatic premature ventricular beats, and prevention of ventricular fibrillation.","Toxicity":"Symptoms of overdose include nausea, hypotension, sinus bradycardia, paresthesia, seizures, bundle branch block, AV heart block, asystole, ventricular tachyarrythmia, including ventricular fibrillation, cardiovascular collapse, and coma.","MechanismOfAction":"Mexiletine, like lidocaine, inhibits the inward sodium current required for the initiation and conduction of impulses, thus reducing the rate of rise of the action potential, Phase 0. It achieves this reduced sodium current by inhibiting sodium channels. Mexiletine decreases the effective refractory period (ERP) in Purkinje fibers in the heart. The decrease in ERP is of lesser magnitude than the decrease in action potential duration (APD), which results in an increase in the ERP/APD ratio. It does not significantly affect resting membrane potential or sinus node automaticity, left ventricular function, systolic arterial blood pressure, atrioventricular (AV) conduction velocity, or QRS or QT intervals","Pharmacodynamics":"Mexiletine is a local anesthetic, antiarrhythmic agent (Class Ib), structurally similar to lidocaine, but orally active. Mexiletine has fast onset and offset kinetics, meaning that they have little or no effect at slower heart rates, and more effects at faster heart rates. It shortens the action potential duration, reduces refractoriness, and decreases Vmax in partially depolarized cells with fast response action potentials. Mexiletine either does not change the action potential duration, or decreases the action potential duration.","Absorption":"Well absorbed (bioavailability 90%) from the gastrointenstinal tract.","Interactions":[{"ID":"DB01223"},{"ID":"DB06769"},{"ID":"DB00651"},{"ID":"DB06210"},{"ID":"DB00754"},{"ID":"DB06414"},{"ID":"DB00176"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB01182"},{"ID":"DB00980"},{"ID":"DB01045"},{"ID":"DB00382"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB01623"},{"ID":"DB00697"},{"ID":"DB06684"}],"Salts":[{"ID":"DBSALT000449","Name":"Mexiletine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00329","Drugs":["DB00379","DB01345","DB01373"]}]},{"ID":"DB00380","Name":"Dexrazoxane","DrugType":"small molecule","HalfLife":"2.5 hours","Description":"An antimitotic agent with immunosuppressive properties. Dexrazoxane, the (+)-enantiomorph of razoxane, provides cardioprotection against anthracycline toxicity. It appears to inhibit formation of a toxic iron-anthracycline complex. [PubChem]\r\nThe Food and Drug Administration has designated dexrazoxane as an orphan drug for use in the prevention or reduction in the incidence and severity of anthracycline-induced cardiomyopathy.","Classification":{"Description":"This compound belongs to the dioxopiperazines. These are compounds containing a piperazine ring bearing two ketone groups.","DirectParent":"Dioxopiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Dioxopiperazines"},"Indication":"For reducing the incidence and severity of cardiomyopathy associated with doxorubicin administration in women with metastatic breast cancer who have received a cumulative doxorubicin hydrochloride dose of 300 mg/m^2 and would benefit from continued doxorubicin therapy. Also approved for the treatment of extravasation from intravenous anthracyclines.","Toxicity":"Intraperitoneal, mouse LD\u003csub\u003e10\u003c/sub\u003e = 500 mg/kg. Intravenous, dog LD\u003csub\u003e10\u003c/sub\u003e = 2 gm/kg.","MechanismOfAction":"The mechanism by which dexrazoxane exerts its cardioprotective activity is not fully understood. Dexrazoxane is a cyclic derivative of EDTA that readily penetrates cell membranes. Results of laboratory studies suggest that dexrazoxane (a prodrug) is converted intracellularly to a ring-opened bidentate chelating agent that chelates to free iron and interferes with iron-mediated free radical generation thought to be responsible, in part, for anthracycline-induced cardiomyopathy. It should be noted that dexrazoxane may also be protective through its inhibitory effect on topoisomerase II.","Pharmacodynamics":"Dexrazoxane is a cardioprotective agent for use in conjunction with doxorubicin indicated for reducing the incidence and severity of cardiomyopathy associated with doxorubicin administration in women with metastatic breast cancer who have received a cumulative doxorubicin dose. Patients receiving anthracycline-derivative antineoplastic agents may experience three types of cardiotoxicity: acute transient type; chronic, subacute type (related to cumulative dose and has a more indolent onset later on); and a late-onset type that manifests years after therapy, mainly in patients that have been exposed to the drug as a child. Although the exact mechanism of anthracycline-induced cardiotoxicity is not known, it has shown to exert a variety of actions that may result in the development of cardiotoxicity. In animals, anthracyclines cause a selective inhibition of cardiac muscle gene expression for α-actin, troponin, myosin light-chain 2, and the M isoform of creatine kinase. This may lead to myofibrillar loss associated with anthracycline-induced cardiotoxicity. Anthracyclines may also cause myocyte damage via calcium overload, altered myocardial adrenergic function, release of vasoactive amines, and proinflammatory cytokines. Furthermore, it has been suggested that the main cause of anthracycline-induced cardiotoxicity is associated with free-radical damage to DNA. The drugs intercalate DNA, chelate metal ions to produce drug-metal complexes, and generate superoxide radicals via oxidation-reduction reactions. Anthracyclines also contain a quinone structure that can undergo reduction via NADPH-dependent reactions to produce a semiquinone free radical that initiates a cascade of superoxide and hydroxide radical generation. Chelation of metal ions, particularly iron, by anthracyclines results in an anthracycline-metal complex that catalyzes the generation of reactive oxygen free radicals. This complex is a powerful oxidant that can initiate lipid peroxidation in the absence of oxygen free radicals. The toxicity induced by antrhacyclines may be exacerbated in cardiac cells, as these cells do not possess sufficient amounts of certain enzymes (e.g., superoxide dismutase, catalase, glutathione peroxidase) involved in detoxifying free radicals and protecting the cells from subsequent damage.","Absorption":"IV administration results in complete bioavailability.","Interactions":null,"Salts":[{"ID":"DBSALT001028","Name":"Dexrazoxane hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00381","Name":"Amlodipine","DrugType":"small molecule","HalfLife":"30-50 hours","Description":"Amlodipine is a long-acting 1,4-dihydropyridine calcium channel blocker. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, amlodipine prevents calcium-dependent myocyte contraction and vasoconstriction. A second proposed mechanism for the drug’s vasodilatory effects involves pH-dependent inhibition of calcium influx via inhibition of smooth muscle carbonic anhydrase. Some studies have shown that amlodipine also exerts inhibitory effects on voltage-gated N-type calcium channels. N-type calcium channels located in the central nervous system may be involved in nociceptive signaling and pain sensation. Amlodipine is used to treat hypertension and chronic stable angina. ","Classification":{"Description":"This compound belongs to the dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.","DirectParent":"Dihydropyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"For the treatment of hypertension and chronic stable angina.","Toxicity":"Gross overdosage could result in excessive peripheral vasodilatation and possibly reflex tachycardia. Marked and probably prolonged systemic hypotension up to an including shock with fatal outcome have been reported.","MechanismOfAction":"Amlodipine decreases arterial smooth muscle contractility and subsequent vasoconstriction by inhibiting the influx of calcium ions through L-type calcium channels. Calcium ions entering the cell through these channels bind to calmodulin. Calcium-bound calmodulin then binds to and activates myosin light chain kinase (MLCK). Activated MLCK catalyzes the phosphorylation of the regulatory light chain subunit of myosin, a key step in muscle contraction. Signal amplification is achieved by calcium-induced calcium release from the sarcoplasmic reticulum through ryanodine receptors. Inhibition of the initial influx of calcium decreases the contractile activity of arterial smooth muscle cells and results in vasodilation. The vasodilatory effects of amlodipine result in an overall decrease in blood pressure. Amlodipine is a long-acting CCB that may be used to treat mild to moderate essential hypertension and exertion-related angina (chronic stable angina). Another possible mechanism is that amlodipine inhibits vascular smooth muscle carbonic anhydrase I activity causing cellular pH increases which may be involved in regulating intracelluar calcium influx through calcium channels.","Pharmacodynamics":"Amlodipine belongs to the dihydropyridine (DHP) class of calcium channel blockers (CCBs), the most widely used class of CCBs. There are at least five different types of calcium channels in Homo sapiens: L-, N-, P/Q-, R- and T-type. It was widely accepted that DHP CCBs target L-type calcium channels, the major channel in muscle cells that mediate contraction; however, some studies have indicated that amlodipine also binds to and inhibits N-type calcium channels (see references in Targets section). Similar to other DHP CCBs, amlodipine binds directly to inactive L-type calcium channels stabilizing their inactive conformation. Since arterial smooth muscle depolarizations are longer in duration than cardiac muscle depolarizations, inactive channels are more prevalent in smooth muscle cells. Alternative splicing of the alpha-1 subunit of the channel gives amlodipine additional arterial selectivity. At therapeutic sub-toxic concentrations, amlodipine has little effect on cardiac myocytes and conduction cells.","Absorption":"Amlodipine is slowly and almost completely absorbed from the gastrointestinal tract. Peak plasma concentrations are reached 6-12 hour following oral administration. Its estimated bioavailability is 64-90%. Absorption is not affected by food. ","Interactions":[{"ID":"DB00343"},{"ID":"DB01369"},{"ID":"DB00382"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00599"},{"ID":"DB00932"},{"ID":"DB00697"},{"ID":"DB00374"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT001054","Name":"Amlodipine Besilate"},{"ID":"DBSALT001055","Name":"Amlodipine Besylate"},{"ID":"DBSALT001056","Name":"Amlodipine Maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00382","Name":"Tacrine","DrugType":"small molecule","HalfLife":"2 to 4 hours","Description":"A centerally active cholinesterase inhibitor that has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders. Tacrine has been discontinued for the United States market. ","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"For the palliative treatment of mild to moderate dementia of the Alzheimer's type.","Toxicity":"Overdosage with cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. The estimated median lethal dose of tacrine following a single oral dose in rats is 40 mg/kg, or approximately 12 times the maximum recommended human dose of 160 mg/day.","MechanismOfAction":"The mechanism of tacrine is not fully known, but it is suggested that the drug is an anticholinesterase agent which reversibly binds with and inactivates cholinesterases. This inhibits the hydrolysis of acetylcholine released from functioning cholinergic neurons, thus leading to an accumulation of acetylcholine at cholinergic synapses. The result is a prolonged effect of acetylcholine.","Pharmacodynamics":"Tacrine is a parasympathomimetic- a reversible cholinesterase inhibitor that is indicated for the treatment of mild to moderate dementia of the Alzheimer's type. An early pathophysiological feature of Alzheimer's disease that is associated with memory loss and cognitive deficits is a deficiency of acetylcholine as a result of selective loss of cholinergic neurons in the cerebral cortex, nucleus basalis, and hippocampus. Tacrine is postulated to exert its therapeutic effect by enhancing cholinergic function. This is accomplished by increasing the concentration of acetylcholine at cholinergic synapses through reversible inhibition of its hydrolysis by acetylcholinesterase. If this proposed mechanism of action is correct, tacrine's effect may lessen as the disease progresses and fewer cholinergic neurons remain functionally intact. There is no evidence that tacrine alters the course of the underlying dementing process.","Absorption":"Tacrine is rapidly absorbed. Absolute bioavailability of tacrine is approximately 17%.","Interactions":[{"ID":"DB01063"},{"ID":"DB03128"},{"ID":"DB01246"},{"ID":"DB01122"},{"ID":"DB01223"},{"ID":"DB00321"},{"ID":"DB00381"},{"ID":"DB00543"},{"ID":"DB01238"},{"ID":"DB00572"},{"ID":"DB00972"},{"ID":"DB06769"},{"ID":"DB00245"},{"ID":"DB00443"},{"ID":"DB01019"},{"ID":"DB00810"},{"ID":"DB01237"},{"ID":"DB00835"},{"ID":"DB00411"},{"ID":"DB00748"},{"ID":"DB00185"},{"ID":"DB01114"},{"ID":"DB00477"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00283"},{"ID":"DB00771"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB01285"},{"ID":"DB01380"},{"ID":"DB01176"},{"ID":"DB00924"},{"ID":"DB00979"},{"ID":"DB00434"},{"ID":"DB00496"},{"ID":"DB00944"},{"ID":"DB01151"},{"ID":"DB00967"},{"ID":"DB01234"},{"ID":"DB00405"},{"ID":"DB00586"},{"ID":"DB00804"},{"ID":"DB00985"},{"ID":"DB01075"},{"ID":"DB01142"},{"ID":"DB00366"},{"ID":"DB00450"},{"ID":"DB01010"},{"ID":"DB00950"},{"ID":"DB01148"},{"ID":"DB00687"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01241"},{"ID":"DB01381"},{"ID":"DB00986"},{"ID":"DB00536"},{"ID":"DB00502"},{"ID":"DB00725"},{"ID":"DB00741"},{"ID":"DB00557"},{"ID":"DB00424"},{"ID":"DB00458"},{"ID":"DB00332"},{"ID":"DB01247"},{"ID":"DB01026"},{"ID":"DB00920"},{"ID":"DB00281"},{"ID":"DB00455"},{"ID":"DB00408"},{"ID":"DB00934"},{"ID":"DB00737"},{"ID":"DB04843"},{"ID":"DB00933"},{"ID":"DB00940"},{"ID":"DB00553"},{"ID":"DB00959"},{"ID":"DB00462"},{"ID":"DB00379"},{"ID":"DB01110"},{"ID":"DB01171"},{"ID":"DB01618"},{"ID":"DB01115"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB01165"},{"ID":"DB00334"},{"ID":"DB01173"},{"ID":"DB01303"},{"ID":"DB01062"},{"ID":"DB01267"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB01619"},{"ID":"DB01085"},{"ID":"DB01100"},{"ID":"DB06153"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01087"},{"ID":"DB00433"},{"ID":"DB00387"},{"ID":"DB01069"},{"ID":"DB00782"},{"ID":"DB00818"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00980"},{"ID":"DB00734"},{"ID":"DB00747"},{"ID":"DB01591"},{"ID":"DB00202"},{"ID":"DB00277"},{"ID":"DB00730"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB01409"},{"ID":"DB01036"},{"ID":"DB00752"},{"ID":"DB00620"},{"ID":"DB00831"},{"ID":"DB00376"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT001053","Name":"Tacrine Hydrochloride"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00383","Name":"Oxyphencyclimine","DrugType":"small molecule","HalfLife":"","Description":"Oxyphencyclimine is an anticholinergic drug (trade name Daricon) used in treating peptic ulcers.","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For the treatment of peptic ulcer disease and the relief of smooth muscle spasms in gastrointestinal disorders.","Toxicity":"","MechanismOfAction":"Oxyphencyclimine binds the muscarinic acetylcholine receptor. It may block all three types of muscarinic receptors including M-1 receptors in the CNS and ganglia, M-2 receptors in the heart (vagus) and M-3 receptors at the parasympathetic NEJ system. The muscarinic acetylcholine receptors mediate various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins. Oxphencyclimine inhibits vagally mediated reflexes by antagonizing the action of acetylcholine. This in turn reduces the secretion of gastric acids in the stomach.","Pharmacodynamics":"Oxyphencyclimine is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract. Oxyphencyclimine is an antimuscarinic, anticholinergic drug.","Absorption":"","Interactions":[{"ID":"DB00502"}],"Salts":[{"ID":"DBSALT000812","Name":"Oxyphencyclimine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00384","Name":"Triamterene","DrugType":"small molecule","HalfLife":"255 minutes (188 minutes for OH-TA-ester metabolite) after IV administration.","Description":"A pteridine that is used as a mild diuretic. [PubChem]","Classification":{"Description":"This compound belongs to the pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.","DirectParent":"Pteridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":""},"Indication":"For the treatment of edema associated with congestive heart failure, cirrhosis of the liver, and the nephrotic syndrome; also in steroid-induced edema, idiopathic edema, and edema due to secondary hyperaldosteronism.","Toxicity":"In the event of overdosage it can be theorized that electrolyte imbalance would be the major concern, with particular attention to possible hyperkalemia. Other symptoms that might be seen would be nausea and vomiting, other G.I. disturbances, and weakness. It is conceivable that some hypotension could occur. The oral LD\u003csub\u003e50\u003c/sub\u003e in mice is 380 mg/kg.","MechanismOfAction":"Triamterene inhibits the epithelial sodium channels on principal cells in the late distal convoluted tubule and collecting tubule, which are responsible for 1-2% of total sodium reabsorption. As sodium reabsorption is inhibited, this increases the osmolarity in the nephron lumen and decreases the osmolarity of the interstitium. Since sodium concentration is the main driving force for water reabsorption, triamterene can achieve a modest amount of diuresis by decreasing the osmotic gradient necessary for water reabsorption from lumen to interstitium. Triamterene also has a potassium-sparing effect. Normally, the process of potassium excretion is driven by the electrochemical gradient produced by sodium reabsorption. As sodium is reabsorbed, it leaves a negative potential in the lumen, while producing a positive potential in the principal cell. This potential promotes potassium excretion through apical potassium channels. By inhibiting sodium reabsorption, triamterene also inhibits potassium excretion. ","Pharmacodynamics":"Triamterene, a relatively weak, potassium-sparing diuretic and antihypertensive, is used in the management of hypokalemia. Triamterene is similar in action to amiloride but, unlike amiloride, increases the urinary excretion of magnesium.","Absorption":"Rapidly absorbed, with somewhat less than 50% of the oral dose reaching the urine.","Interactions":[{"ID":"DB00542"},{"ID":"DB00796"},{"ID":"DB01197"},{"ID":"DB01340"},{"ID":"DB01395"},{"ID":"DB00584"},{"ID":"DB00700"},{"ID":"DB00876"},{"ID":"DB01342"},{"ID":"DB00492"},{"ID":"DB00328"},{"ID":"DB01029"},{"ID":"DB00722"},{"ID":"DB00678"},{"ID":"DB00691"},{"ID":"DB00790"},{"ID":"DB01344"},{"ID":"DB01345"},{"ID":"DB00881"},{"ID":"DB00178"},{"ID":"DB01347"},{"ID":"DB01348"},{"ID":"DB01349"},{"ID":"DB00966"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00177"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00385","Name":"Valrubicin","DrugType":"small molecule","HalfLife":"","Description":"Valrubicin (N-trifluoroacetyladriamycin-14-valerate, Valstar\u0026reg;) is a chemotherapy drug used to treat bladder cancer. Valrubicin is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder. [Wikipedia]","Classification":{"Description":"This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.","DirectParent":"Anthracyclines","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Anthracyclines","SubClass":""},"Indication":"For the treatment of cancer of the bladder.","Toxicity":"The primary anticipated complications of overdosage associated with intravesical administration would be consistent with irritable bladder symptoms. Myelosuppression is possible if valrubicin is inadvertently administered systemically or if significant systemic exposure occurs following intravesical administration (e.g., in patients with bladder/rupture perforation). The maximum tolerated dose in humans by either intraperitoneal or intravenous administration is 600 mg/m\u003csup\u003e2\u003c/sup\u003e.","MechanismOfAction":"Valrubicin is an anthracycline that affects a variety of inter-related biological functions, most of which involve nucleic acid metabolism. It readily penetrates into cells, where after DNA intercalation, it inhibits the incorporation of nucleosides into nucleic acids, causes extensive chromosomal damage, and arrests cell cycle in G2. Although valrubicin does not bind strongly to DNA, a principal mechanism of its action, mediated by valrubicin metabolites, is interference with the normal DNA breaking-resealing action of DNA topoisomerase II.","Pharmacodynamics":"Valrubicin is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder.","Absorption":"","Interactions":[{"ID":"DB01248"},{"ID":"DB00108"},{"ID":"DB01229"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00386","Name":"Alseroxylon","DrugType":"small molecule","HalfLife":"","Description":"A fat-soluble alkaloidal fraction extracted from the root of \u003ci\u003eRauwolfia serpentina\u003c/i\u003e, containing reserpine and other nonadrenolytic amorphous alkaloids; used as a sedative in psychoses, in mild hypertension, and as an adjunct to more potent hypotensive drugs. Alseroxylon has been discontinued in the US market. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of hypertension and as an adjunct in the management of angina pectoris.","Toxicity":"","MechanismOfAction":"The antihypertensive actions of alseroxylon are a result of its ability to deplete catecholamines from peripheral sympathetic nerve endings. Alseroxylon almost irreversibly blocks the accumulation of noradrenaline and dopamine into synaptic vesicles by inhibiting the Vesicular Monoamine Transporters (VMAT). This depletion ultimately affects the carotid pressoreceptors which leads to a decrease in vascular pressure.","Pharmacodynamics":"Alseroxylon is a purified extract of \u003ci\u003eRauwolfia serpentina\u003c/i\u003e, containing reserpine and other amorphous alkaloids. Alseroxylon is an indole alkaloid antipsychotic and antihypertensive drug known to irreversibly bind to storage vesicles of neurotransmitters such as dopamine, norepinephrine, and serotonin. This leads to depletion of the neurotransmitters and subsequent depression in humans.","Absorption":"","Interactions":[{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00816"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB00852"},{"ID":"DB00871"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00387","Name":"Procyclidine","DrugType":"small molecule","HalfLife":"","Description":"A muscarinic antagonist that crosses the blood-brain barrier and is used in the treatment of drug-induced extrapyramidal disorders and in parkinsonism. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"For the treatment of all forms of Parkinson's Disease, as well as control of extrapyramidal reactions induced by antipsychotic agents.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=60 mg/kg (IV in mice)","MechanismOfAction":"The mechanism of action is unknown. It is thought that Procyclidine acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia. Many of its effects are due to its pharmacologic similarities with atropine. Procyclidine exerts an antispasmodic effect on smooth muscle, and may produce mydriasis and reduction in salivation.","Pharmacodynamics":"Procyclidine has an atropine-like action on parasympathetic-innervated peripheral structures including smooth muscle. It's antispasmodic effects are thought to be related to the blockage of central cholinergic receptors M1, M2 and M4. It is used to treat symptomatic Parkinsonism and extrapyramidal dysfunction caused by antipsychotic agents.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT001008","Name":"Procyclidine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00388","Name":"Phenylephrine","DrugType":"small molecule","HalfLife":"2.1 to 3.4 hours","Description":"Phenylephrine is a sympathomimetic amine that acts predominantly on \u0026alpha;-adrenergic receptors. It is mainly used to treat nasal congestion, but may also be useful in treating hypotension and shock, hypotension during spinal anaesthesia, prolongation of spinal anaesthesia, paroxysmal supraventricular tachycardia, symptomatic relief of external or internal hemorrhoids, and to increase blood pressure as an aid in the diagnosis of heart murmurs. ","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"Phenylephrine is mainly used to treat nasal congestion, but may also be useful in treating hypotension and shock, hypotension during spinal anaesthesia, prolongation of spinal anaesthesia, paroxysmal supraventricular tachycardia, symptomatic relief of external or internal hemorrhoids, and to increase blood pressure as an aid in the diagnosis of heart murmurs. ","Toxicity":"","MechanismOfAction":"In general, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors mediate contraction and hypertrophic growth of smooth muscle cells. \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-receptors are 7-transmembrane domain receptors coupled to G proteins, G\u003csub\u003eq/11\u003c/sub\u003e. Three \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-receptor subtypes, which share approximately 75% homology in their transmembrane domains, have been identified: \u0026alpha;\u003csub\u003e1A\u003c/sub\u003e (chromosome 8), \u0026alpha;\u003csub\u003e1B\u003c/sub\u003e (chromosome 5), and \u0026alpha;\u003csub\u003e1D\u003c/sub\u003e (chromosome 20). Phenylephrine appears to act similarly on all three receptor subtypes. All three receptor subtypes appear to be involved in maintaining vascular tone. The \u0026alpha;\u003csub\u003e1A\u003c/sub\u003e-receptor maintains basal vascular tone while the \u0026alpha;\u003csub\u003e1B\u003c/sub\u003e-receptor mediates the vasocontrictory effects of exogenous \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-agonists. Activation of the \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-receptor activates G\u003csub\u003eq\u003c/sub\u003e-proteins, which results in intracellular stimulation of phospholipases C, A\u003csub\u003e2\u003c/sub\u003e, and D. This results in mobilization of Ca\u003csup\u003e2+\u003c/sup\u003e from intracellular stores, activation of mitogen-activated kinase and PI\u003csub\u003e3\u003c/sub\u003e kinase pathways and subsequent vasoconstriction. Phenylephrine produces its local and systemic actions by acting on \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors peripheral vascular smooth muscle. Stimulation of the \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors results in contraction arteriolar smooth muscle in the periphery. Phenylephrine decreases nasal congestion by acting on \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors in the arterioles of the nasal mucosa to produce constriction; this leads to decreased edema and increased drainage of the sinus cavities. ","Pharmacodynamics":"Phenylephrine is a powerful vasoconstrictor. It is used as a nasal decongestant and cardiotonic agent. Phenylephrine is a postsynaptic \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-receptor agonist with little effect on \u0026beta;-receptors of the heart. Parenteral administration of phenylephrine causes a rise in systolic and diastolic pressures, a slight decrease in cardiac output, and a considerable increase in peripheral resistance; most vascular beds are constricted, and renal, splanchnic, cutaneous, and limb blood flows are reduced while coronary blood flow is increased. Phenelephrine also causes pulmonary vessel constriction and subsequent increase in pulmonary arterial pressure. Vasoconstriction in the mucosa of the respiratory tract leads to decreased edema and increased drainage of sinus cavities. ","Absorption":"Completely absorbed after oral administration. It has a reduced bioavailability (compared to pseudoephedrine) following oral administration due to significant first-pass metabolism in the intestinal wall. Compared to IV administration, bioavailability is approximately 38%. Peak serum concentrations are achieved approximately 0.75-2 hours following oral administration. Phenylephrine should be administered parenterally to achieve cardiovascular effects. Occasionally, systemic effects are observed following oral inhalation. ","Interactions":[{"ID":"DB00386"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01089"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB01253"},{"ID":"DB01170"},{"ID":"DB00070"},{"ID":"DB00458"},{"ID":"DB06704"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00353"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00107"},{"ID":"DB01626"},{"ID":"DB00780"},{"ID":"DB00344"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00752"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT000858","Name":"Phenylephrine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00389","Name":"Carbimazole","DrugType":"small molecule","HalfLife":"","Description":"An imidazole antithyroid agent. Carbimazole is metabolized to methimazole, which is responsible for the antithyroid activity. [PubChem]","Classification":{"Description":"This compound belongs to the carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.","DirectParent":"Carbonylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"For the treatment of hyperthyroidism and thyrotoxicosis. It is also used to prepare patients for thyroidectomy.","Toxicity":"","MechanismOfAction":"Carbimazole is an aitithyroid agent that decreases the uptake and concentration of inorganic iodine by thyroid, it also reduces the formation of di-iodotyrosine and thyroxine. Once converted to its active form of methimazole, it prevents the thyroid peroxidase enzyme from coupling and iodinating the tyrosine residues on thyroglobulin, hence reducing the production of the thyroid hormones T3 and T4.","Pharmacodynamics":"Carbimazole is a carbethoxy derivative of methimazole. Its antithyroid action is due to its conversion to methimazole after absorption. It is used to treat hyperthyroidism and thyrotoxicosis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00390","Name":"Digoxin","DrugType":"small molecule","HalfLife":"3.5 to 5 days","Description":"A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone digoxigenin. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666)","Classification":{"Description":"This compound belongs to the cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.","DirectParent":"Cardenolide Glycosides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Lactones"},"Indication":"For the treatment and management of congestive cardiac insufficiency, arrhythmias and heart failure.","Toxicity":"Toxicity includes ventricular tachycardia or ventricular fibrillation, or progressive bradyarrhythmias, or heart block. LD\u003csub\u003e50\u003c/sub\u003e = 7.8 mg/kg (orally in mice).","MechanismOfAction":"Digoxin inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium. The sodium calcium exchanger (NCX)in turn tries to extrude the sodium and in so doing, pumps in more calcium. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Digoxin also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential.","Pharmacodynamics":"Digoxin, a cardiac glycoside similar to digitoxin, is used to treat congestive heart failure and supraventricular arrhythmias due to reentry mechanisms, and to control ventricular rate in the treatment of chronic atrial fibrillation.","Absorption":"Absorption of digoxin from the elixir pediatric formulation has been demonstrated to be 70% to 85% complete (90% to 100% from the capsules, and 60% to 80% for tablets).","Interactions":[{"ID":"DB00284"},{"ID":"DB00404"},{"ID":"DB01118"},{"ID":"DB00436"},{"ID":"DB00562"},{"ID":"DB00290"},{"ID":"DB06616"},{"ID":"DB00887"},{"ID":"DB08907"},{"ID":"DB00262"},{"ID":"DB01136"},{"ID":"DB00880"},{"ID":"DB00310"},{"ID":"DB01432"},{"ID":"DB08810"},{"ID":"DB01211"},{"ID":"DB00375"},{"ID":"DB00531"},{"ID":"DB00091"},{"ID":"DB00606"},{"ID":"DB00987"},{"ID":"DB00509"},{"ID":"DB00829"},{"ID":"DB01341"},{"ID":"DB00997"},{"ID":"DB04855"},{"ID":"DB00199"},{"ID":"DB00903"},{"ID":"DB06414"},{"ID":"DB00695"},{"ID":"DB01044"},{"ID":"DB01404"},{"ID":"DB00999"},{"ID":"DB00774"},{"ID":"DB01611"},{"ID":"DB00808"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB00451"},{"ID":"DB00279"},{"ID":"DB01583"},{"ID":"DB06655"},{"ID":"DB00763"},{"ID":"DB00563"},{"ID":"DB00232"},{"ID":"DB00524"},{"ID":"DB04896"},{"ID":"DB08893"},{"ID":"DB01359"},{"ID":"DB00299"},{"ID":"DB00859"},{"ID":"DB01324"},{"ID":"DB00457"},{"ID":"DB01168"},{"ID":"DB01182"},{"ID":"DB00550"},{"ID":"DB01325"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00468"},{"ID":"DB01129"},{"ID":"DB00243"},{"ID":"DB00503"},{"ID":"DB00421"},{"ID":"DB01323"},{"ID":"DB00795"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00966"},{"ID":"DB01584"},{"ID":"DB00208"},{"ID":"DB01124"},{"ID":"DB06212"},{"ID":"DB01021"},{"ID":"DB01157"},{"ID":"DB00661"},{"ID":"DB00541"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00391","Name":"Sulpiride","DrugType":"small molecule","HalfLife":"6 to 8 hours","Description":"A dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed)","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Sulpiride is indicated for the treatment of schizophrenia.","Toxicity":"Sulpiride has a relatively low order of acute toxicity. Substantial amounts may cause severe but reversible dystonic crises with torticollis, protrusion of the tongue, and/or trism. In some cases all the classical symptoms typical of severe Parkinson's Disease may be noted; in others, over-sedation/coma may occur.","MechanismOfAction":"In contrast to most other neuroleptics which block both dopamine D1 and D2 receptors, Sulpiride is more selective and acts primarily as a dopamine D2 antagonist. Sulpiride appears to lack effects on norepinephrine, acetylcholine, serotonin, histamine, or gamma-aminobutyric acid (GABA) receptors.","Pharmacodynamics":"Sulpiride is a substituted benzamide derivative and a selective dopamine D2 antagonist with antipsychotic and antidepressant activity. Other benzamide derivatives include metoclopramide, tiapride, and sultopride.","Absorption":"Sulpiride is absorbed slowly from the gastrointestinal tract. Its oral bioavailability is only 25 to 35% with marked interindividual differences. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00392","Name":"Ethopropazine","DrugType":"small molecule","HalfLife":"1 to 2 hours","Description":"Ethopropazine (also known as profenamine hydrochloride) is a medication derived from phenothiazine. It is primarily used as an antidyskinetic to treat parkinsonism. It is sold under the trade names Parsidol in the United States and Parsidan in Canada.","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For use in the treatment of Parkinson's disease and also used to control severe reactions to certain medicines such as reserpine.","Toxicity":"Symptoms of overdose include severe clumsiness or unsteadiness, severe drowsiness, severe dryness of mouth, nose, or throat, fast heartbeat, shortness of breath or troubled breathing, and warmth, dryness, and flushing of skin.","MechanismOfAction":"Ethopropazine's antiparkinson action can be attributed to its anticholinergic properties. Ethopropazine partially blocks central (striatal) cholinergic receptors, thereby helping to balance cholinergic and dopaminergic activity in the basal ganglia; salivation may be decreased, and smooth muscle may be relaxed. Drug-induced extrapyramidal symptoms and those due to parkinsonism may be relieved, but tardive dyskinesia is not alleviated and may be aggravated by anticholinergic effects. Ethopropazine's local anesthetic effect is due to its antagonism of the NMDA glutamate receptor. Glutamate is recognized as an important transmitter in nociceptive pathways, and the N-methyl-D-aspartate (NMDA) subtype of the glutamate receptor, in particular, has been implicated in the mediation of neuropathic pain. Excessive release of glutamate at NMDA receptors on dorsal horn neurons of the spinal cord results in hyperactivation and hypersensitivity of these receptors (perceived as hyperalgesia), thought to be an integral feature of neuropathic pain.","Pharmacodynamics":"Ethopropazine, a phenothiazine and antidyskinetic, is used in the treatment of Parkinson's disease. By improving muscle control and reducing stiffness, this drug permits more normal movements of the body as the disease symptoms are reduced. It is also used to control severe reactions to certain medicines such as reserpine, phenothiazines, chlorprothixene, thiothixene, loxapine, and haloperidol. Unlike other NMDA antagonists, ethopropazine \u0026mdash; because of its anticholinergic action \u0026mdash; is largely devoid of neurotoxic side effects. Ethopropazine also has a slight antihistaminic and local anesthetic effect.","Absorption":"Well-absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01170"},{"ID":"DB00502"},{"ID":"DB00579"},{"ID":"DB00191"},{"ID":"DB00397"}],"Salts":[{"ID":"DBSALT000813","Name":"Ethopropazine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00393","Name":"Nimodipine","DrugType":"small molecule","HalfLife":"1.7-9 hours","Description":"Nimodipine is a 1,4-dihydropyridine calcium channel blocker. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, nimodipine prevents calcium-dependent smooth muscle contraction and subsequent vasoconstriction. Compared to other calcium channel blocking agents, nimodipine exhibits greater effects on cerebral circulation than on peripheral circulation. Nimodipine is used to as an adjunct to improve the neurologic outcome following subarachnoid hemorrhage from ruptured intracranial aneurysm. ","Classification":{"Description":"This compound belongs to the dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.","DirectParent":"Dihydropyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"For use as an adjunct to improve neurologic outcome following subarachnoid hemorrhage (SAH) from ruptured intracranial berry aneurysms by reducing the incidence and severity of ischemic deficits.","Toxicity":"Symptoms of overdosage would be expected to be related to cardiovascular effects such as excessive peripheral vasodilation with marked systemic hypotension.","MechanismOfAction":"Although the precise mechanism of action is not known, nimodipine blocks intracellular influx of calcium through voltage-dependent and receptor-operated slow calcium channels across the membranes of myocardial, vascular smooth muscle, and neuronal cells. Nimodipine binds specifically to L-type voltage-gated calcium channels. The inhibition of calcium ion transfer results in the inhibition of vascular smooth muscle contraction. Evidence suggests that the dilation of small cerebral resistance vessels, with a resultant increase in collateral circulation, and/or a direct effect involving the prevention of calcium overload in neurons may be responsible for nimodipine's clinical effect in patients with subarachnoid hemorrhage.","Pharmacodynamics":"Nimodipine belongs to the class of pharmacological agents known as calcium channel blockers. Nimodipine is indicated for the improvement of neurological outcome by reducing the incidence and severity of ischemic deficits in patients with subarachnoid hemorrhage from ruptured congenital aneurysms who are in good neurological condition post-ictus (e.g., Hunt and Hess Grades I-III). The contractile processes of smooth muscle cells are dependent upon calcium ions, which enter these cells during depolarization as slow ionic transmembrane currents. Nimodipine inhibits calcium ion transfer into these cells and thus inhibits contractions of vascular smooth muscle. In animal experiments, nimodipine had a greater effect on cerebral arteries than on arteries elsewhere in the body perhaps because it is highly lipophilic, allowing it to cross the blood brain barrier. ","Absorption":"In humans, nimodipine is rapidly absorbed after oral administration, and peak concentrations are generally attained within one hour. Bioavailability is 100% following intravenous administration and 3-30% following oral administration due to extensive first-pass metabolism. ","Interactions":[{"ID":"DB00501"},{"ID":"DB01369"},{"ID":"DB00976"},{"ID":"DB00599"},{"ID":"DB00932"},{"ID":"DB00374"},{"ID":"DB00313"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00380","Drugs":["DB00393","DB01345","DB01373"]}]},{"ID":"DB00394","Name":"Beclomethasone","DrugType":"small molecule","HalfLife":"2.8 hours","Description":"Beclomethasone dipropionate is a prodrug of the free form, Beclomethasone (beclomethasone-17-monopropionate). An anti-inflammatory, synthetic corticosteroid, it is used topically as an anti-inflammatory agent and in aerosol form for the treatment of asthma and allergic rhinitis (seasonal and perennial). Beclometasone dipropionate is also being investigated for oral treatment in mild-to-moderate Crohn's disease of ileal or ileal-right colonic localisation and for \"topical\" use mild-to-moderate graft versus host disease. It is marketed under several brand names such as Qnasl (US) and Rivanase AQ (Canada).","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"Used in the maintenance treatment of asthma as prophylactic therapy in patients 5 years of age and older, and in treating symptoms for allergic rhinitis (seasonal or perennial) in patients 12 years of age and older. Also being investigated for oral treatment in mild-to-moderate Crohn's disease of ileal or ileal-right colonic localisation and for \"topical\" use mild-to-moderate graft versus host disease.","Toxicity":"The acute toxicity of beclometasone dipropionate is low. The only harmful effect that follows inhalation of large amounts of the drug over a short period of time is suppression of hypothalamic-pituitary-adrenal (HPA) function. Chronic: The excessive use of beclometasone dipropionate over a long period could lead to adrenal suppression.","MechanismOfAction":"Unbound corticosteroids cross cell membranes and bind with high affinity to specific cytoplasmic receptors. The result includes inhibition of leukocyte infiltration at the site of inflammation, interference in the function of mediators of inflammatory response, suppression of humoral immune responses, and reduction in edema or scar tissue. The antiinflammatory actions of corticosteroids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes.\r\n\r\nFor the investigated use in the treatment of GvHD or Crohn's, beclometasone acts by binding to interleukin-13 to inhibit cytokines, which in turn inhibits inflammatory chemicals downstream.","Pharmacodynamics":"Beclometasone, a synthetic halogenated glucocorticoid with antiinflammatory and vasoconstrictive effects, is used for treating steroid-dependent asthma, allergic or nonallergic rhinitis, or recurrent nasal polyps.","Absorption":"Mean peak plasma concentration was 88pg/ml at 0.5 hour","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00395","Name":"Carisoprodol","DrugType":"small molecule","HalfLife":"8 hours","Description":"A centrally acting skeletal muscle relaxant whose mechanism of action is not completely understood but may be related to its sedative actions. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1202)","Classification":{"Description":"This compound belongs to the carbamic acids and derivatives. These are compounds comprising the carbamic acid functional group or a derivative thereof.","DirectParent":"Carbamic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the relief of discomfort associated with acute, painful, musculoskeletal conditions.","Toxicity":"Symptoms of overdose include drowsiness, giddiness, nausea, indigestion, or rash. Other adverse effects attributed to therapeutic use of carisoprodol include dizziness, irritability, insomnia, diplopia, temporary loss of vision, ataxia, weakness, headache, and dysarthria. Non-CNS adverse effects include gastrointestinal complaints, tachycardia, and postural hypotension. Patients sensitive to sulfites or tartrazine may experience wheezing, allergic rashes including erythema multiforme, or anaphylaxis after using some preparations of carisoprodol which contain such additives","MechanismOfAction":"Carisoprodol is a central nervous system depressant that acts as a sedative and skeletal muscle relaxant. Rather than acting directly on skeletal muscle, carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. Its exact mechanism of action is not yet known.","Pharmacodynamics":"Carisoprodol is used as a skeletal muscle relaxant. One of its metabolites, meprobamate, is available as an anxiolytic agent.","Absorption":"","Interactions":[{"ID":"DB00705"},{"ID":"DB00450"},{"ID":"DB00196"},{"ID":"DB00176"},{"ID":"DB01241"},{"ID":"DB00951"},{"ID":"DB01403"},{"ID":"DB00745"},{"ID":"DB06268"},{"ID":"DB00208"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00396","Name":"Progesterone","DrugType":"small molecule","HalfLife":"34.8-55.13 hours","Description":"The major progestational steroid that is secreted primarily by the corpus luteum and the placenta. Progesterone acts on the uterus, the mammary glands, and the brain. It is required in embryo implantation, pregnancy maintenance, and the development of mammary tissue for milk production. Progesterone, converted from pregnenolone, also serves as an intermediate in the biosynthesis of gonadal steroid hormones and adrenal corticosteroids. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For progesterone supplementation or replacement as part of an Assisted Reproductive Technology (ART) treatment for infertile women with progesterone deficiency and for the treatment of secondary amenorrhea. Also used for the reduction of the incidence of endometrial hyperplasia and the attendant risk of endometrial carcinoma in postmenopausal women receiving estrogen replacement therapy, as well as treatment of abnormal uterine bleeding due to hormonal imbalance in the absence of organic pathology such as fibroids or uterine cancer.","Toxicity":"","MechanismOfAction":"Progesterone shares the pharmacological actions of the progestins. Progesterone binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like Progesterone will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge. In women who have adequate endogenous estrogen, progesterone transforms a proliferative endometrium into a secretory one. Progesterone is essential for the development of decidual tissue and is necessary to increase endometrial receptivity for implantation of an embryo. Once an embryo has been implanted, progesterone acts to maintain the pregnancy. Progesterone also stimulates the growth of mammary alveolar tissue and relaxes uterine smooth muscle. It has little estrogenic and androgenic activity.","Pharmacodynamics":"Progesterone is a naturally occuring progestin or a synthetic form of the naturally occurring female sex hormone, progesterone. In a woman's normal menstrual cycle, an egg matures and is released from the ovaries (ovulation). The ovary then produces progesterone, preventing the release of further eggs and priming the lining of the womb for a possible pregnancy. If pregnancy occurs, progesterone levels in the body remain high, maintaining the womb lining. If pregnancy does not occur, progesterone levels in the body fall, resulting in a menstrual period. Progesterone tricks the body processes into thinking that ovulation has already occurred by maintaining high levels of the synthetic progesterone. This prevents the release of eggs from the ovaries.","Absorption":"Progesterone absorption is prolonged with an absorption half-life of approximately 25-50 hours.","Interactions":[{"ID":"DB01030"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00717","Drugs":["DB00396","DB04540"]},{"ID":"SMP00371","Drugs":["DB00396","DB04540"]},{"ID":"SMP00577","Drugs":["DB00396","DB04540"]},{"ID":"SMP00130","Drugs":["DB00396","DB04540"]},{"ID":"SMP00373","Drugs":["DB00396","DB04540"]},{"ID":"SMP00576","Drugs":["DB00396","DB04540"]},{"ID":"SMP00372","Drugs":["DB00396","DB04540"]},{"ID":"SMP00578","Drugs":["DB00396","DB04540"]},{"ID":"SMP00566","Drugs":["DB00396","DB04540"]},{"ID":"SMP00575","Drugs":["DB00396","DB04540"]},{"ID":"SMP00718","Drugs":["DB00396","DB04540"]}]},{"ID":"DB00397","Name":"Phenylpropanolamine","DrugType":"small molecule","HalfLife":"2.1 to 3.4 hours.","Description":"Phenylpropanolamine has been withdrawn in Canada and the United States. In November 2000, the Food and Drug Administration (FDA) issued a public health advisory against the use of the drug.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment of nasal congestion, control of urinary incontinence, priapism and obesity.","Toxicity":"May induce ventricular extrasystoles and short paroxysms of ventricular tachycardia, a sensation of fullness in the head and tingling of the extremities; LD\u003csub\u003e50\u003c/sub\u003e=1490mg/kg (orally in rat)","MechanismOfAction":"Phenylpropanolamine acts directly on alpha- and, to a lesser degree, beta-adrenergic receptors in the mucosa of the respiratory tract. Stimulation of alpha-adrenergic receptors produces vasoconstriction, reduces tissue hyperemia, edema, and nasal congestion, and increases nasal airway patency. PPA indirectly stimulates beta-receptors, producing tachycardia and a positive inotropic effect.","Pharmacodynamics":"Phenylpropanolamine (PPA), a sympathomimetic agent structurally similar to pseudoephedrine, is used to treat nasal congestion. Phenylpropanolamine is found in appetite suppressant formulations and with guaifenesinin in cough-cold formulations. In 2000, the FDA requested that all drug companies discontinue marketing products containing phenylpropanolamine, due to an increased risk of hemorrhagic stroke in women who used phenylpropanolamine.","Absorption":"Reduced bioavailability (about 38%) from gastrointestinal tract because of first pass metabolism by monoamine oxidase in the stomach and liver.","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00386"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01200"},{"ID":"DB00477"},{"ID":"DB01242"},{"ID":"DB01089"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00392"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB06704"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB01626"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB00777"},{"ID":"DB00344"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00726"},{"ID":"DB00285"}],"Salts":[{"ID":"DBSALT000996","Name":"Phenylpropanolamine hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00398","Name":"Sorafenib","DrugType":"small molecule","HalfLife":"25-48 hours","Description":"Sorafenib (rINN), marketed as Nexavar by Bayer, is a drug approved for the treatment of advanced renal cell carcinoma (primary kidney cancer). It has also received \"Fast Track\" designation by the FDA for the treatment of advanced hepatocellular carcinoma (primary liver cancer), and has since performed well in Phase III trials.\r\nSorafenib is a small molecular inhibitor of Raf kinase, PDGF (platelet-derived growth factor), VEGF receptor 2 \u0026 3 kinases and c Kit the receptor for Stem cell factor. A growing number of drugs target most of these pathways. The originality of Sorafenib lays in its simultaneous targeting of the Raf/Mek/Erk pathway.","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"Sorafenib is indicated for the treatment of unresectable hepatocellular carcinoma and advanced renal cell carcinoma. ","Toxicity":"The highest dose of sorafenib studied clinically is 800 mg twice daily. The adverse reactions observed at this dose were primarily diarrhea and dermatologic events. No information is available on symptoms of acute overdose in animals because of the saturation of absorption in oral acute toxicity studies conducted in animals.","MechanismOfAction":"Sorafenib interacts with multiple intracellular (CRAF, BRAF and mutant BRAF) and cell surface kinases (KIT, FLT-3, VEGFR-2, VEGFR-3, and PDGFR-\u0026szlig;). Several of these kinases are thought to be involved in angiogenesis, thus sorafenib reduces blood flow to the tumor. Sorafenib is unique in targeting the Raf/Mek/Erk pathway. By inhibiting these kinases, genetic transcription involving cell proliferation and angiogenesis is inhibited.","Pharmacodynamics":"No large changes in QTc interval were observed. After one 28-day treatment cycle, the largest mean QTc interval change of 8.5 ms (upper bound of two-sided 90% confidence interval, 13.3 ms) was observed at 6 hours post-dose on day 1 of cycle 2. ","Absorption":"The mean relative bioavailability is 38-49% for the tablet form, when compared to an oral solution. Sorafenib reached peak plasma levels in 3 hours following oral administration. With a high-fat meal, bioavailability is reduced by 29% compared to administration in the fasted state.","Interactions":[{"ID":"DB00112"},{"ID":"DB00958"},{"ID":"DB06414"},{"ID":"DB00072"},{"ID":"DB00755"}],"Salts":[{"ID":"DBSALT000165","Name":"Sorafenib Tosylate "}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00648","Drugs":["DB00398","DB03435"]}]},{"ID":"DB00399","Name":"Zoledronate","DrugType":"small molecule","HalfLife":"146 hours","Description":"Zoledronate (zoledronic acid, marketed by Novartis under the trade names Zometa and Reclast) is a bisphosphonate. Zometa is used to prevent skeletal fractures in patients with cancers such as multiple myeloma and prostate cancer. It can also be used to treat hypercalcemia of malignancy and can be helpful for treating pain from bone metastases.\r\n\r\nAn annual dose of Zoledronate may also prevent recurring fractures in patients with a previous hip fracture.\r\n\r\nZoledronate is a single 5 mg infusion for the treatment of Paget's disease of bone. In 2007, the FDA also approved Reclast for the treatment of postmenopausal osteoporosis.","Classification":{"Description":"This compound belongs to the n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.","DirectParent":"N-substituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"For the treatment of hypercalcemia of malignancy. Also for the treatment of patients with multiple myeloma and patients with documented bone metastases from solid tumors, in conjunction with standard antineoplastic therapy. In May of 2007, the drug was approved for treatment of Paget’s Disease.","Toxicity":"There is no experience of acute overdose. Two patients received zoledronate (32 mg) over 5 minutes in clinical trials. Neither patient experienced any clinical or laboratory toxicity. Overdosage may cause clinically significant hypocalcemia, hypophosphatemia, and hypomagnesemia.","MechanismOfAction":"The action of zoledronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Zoledronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates such as zoledronate appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.","Pharmacodynamics":"Zoledronate is a bisphosphonic acid which is an inhibitor of osteoclastic bone resorption. Zoledronate is used to prevent osteoporosis and skeletal fractures, particularly in patients with cancers such as multiple myeloma and prostate cancer. It can also be used to treat hypercalcemia, particularly hypercalcemia of malignancy. It can also be helpful for treating pain from bone metastases.","Absorption":"Poorly absorbed (oral absorption is about 1% of what intravenous absorption is).","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00107","Drugs":["DB00169","DB00399","DB01592","DB02552","DB04540"]}]},{"ID":"DB00400","Name":"Griseofulvin","DrugType":"small molecule","HalfLife":"9-21 hours","Description":"An antifungal antibiotic. Griseofulvin may be given by mouth in the treatment of tinea infections. [PubChem]","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"For the treatment of ringworm infections of the skin, hair, and nails, namely: tinea corporis, tinea pedis, tinea cruris, tinea barbae, cradle cap or other conditions caused by \u003ci\u003eTrichophyton\u003c/i\u003e or \u003ci\u003eMicrosporum\u003c/i\u003e fungi.","Toxicity":"Side effects are minor: headaches, gastrointestinal reactions and cutaneous eruptions","MechanismOfAction":"Griseofulvin is fungistatic, however the exact mechanism by which it inhibits the growth of dermatophytes is not clear. It is thought to inhibit fungal cell mitosis and nuclear acid synthesis. It also binds to and interferes with the function of spindle and cytoplasmic microtubules by binding to alpha and beta tubulin. It binds to keratin in human cells, then once it reaches the fungal site of action, it binds to fungal microtubes thus altering the fungal process of mitosis.","Pharmacodynamics":"Griseofulvin is a mycotoxic metabolic product of \u003ci\u003ePenicillium spp.\u003c/i\u003e It was the first available oral agent for the treatment of dermatophytoses and has now been used for more than forty years. Griseofulvin is fungistatic with in vitro activity against various species of Microsporum Epidermophyton, and Trichophyton. It has no effect on bacteria or on other genera of fungi. Following oral administration, griseofulvin is deposited in the keratin precursor cells and has a greater affinity for diseased tissue. The drug is tightly bound to the new keratin which becomes highly resistant to fungal invasions. Once the keratin-Griseofulvin complex reaches the skin site of action, it binds to fungal microtubules (tubulin) thus altering fungal mitosis.","Absorption":"Poorly absorbed from GI ranging from 25 to 70% of an oral dose. Absorption is significantly enhanced by administration with or after a fatty meal.","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00269"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB00255"},{"ID":"DB01341"},{"ID":"DB00783"},{"ID":"DB04573"},{"ID":"DB00655"},{"ID":"DB04574"},{"ID":"DB00977"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB06655"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB01357"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00717"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00794"},{"ID":"DB04575"},{"ID":"DB01346"},{"ID":"DB00418"},{"ID":"DB00306"},{"ID":"DB08867"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00401","Name":"Nisoldipine","DrugType":"small molecule","HalfLife":"7-12 hours","Description":"Nisoldipine is a 1,4-dihydropyridine calcium channel blocker. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, nisoldipine prevents calcium-dependent smooth muscle contraction and subsequent vasoconstriction. Nisoldipine may be used in alone or in combination with other agents in the management of hypertension. ","Classification":{"Description":"This compound belongs to the dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.","DirectParent":"Dihydropyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"For the treatment of hypertension. It may be used alone or in combination with other antihypertensive agents.","Toxicity":"","MechanismOfAction":"By deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, Nisoldipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Pharmacodynamics":"Nisoldipine, a dihydropyridine calcium-channel blocker, is used alone or with an angiotensin-converting enzyme inhibitor, to treat hypertension, chronic stable angina pectoris, and Prinzmetal's variant angina. Nisoldipine is similar to other peripheral vasodilators. Nisoldipine inhibits the influx of extra cellular calcium across the myocardial and vascular smooth muscle cell membranes possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum. The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Absorption":"Relatively well absorbed into the systemic circulation with 87% of the radiolabeled drug recovered in urine and feces. The absolute bioavailability of nisoldipine is about 5%.","Interactions":[{"ID":"DB00872"},{"ID":"DB06414"},{"ID":"DB01320"},{"ID":"DB00252"},{"ID":"DB01369"},{"ID":"DB00976"},{"ID":"DB00599"},{"ID":"DB00932"},{"ID":"DB00374"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00381","Drugs":["DB00401","DB01345","DB01373"]}]},{"ID":"DB00402","Name":"Eszopiclone","DrugType":"small molecule","HalfLife":"6 hours","Description":"Eszopiclone, marketed by Sepracor under the brand-name Lunesta, is a nonbenzodiazepine hypnotic agent (viz., a sedative) used as a treatment for insomnia. Eszopiclone is the active stereoisomer of zopiclone, and belongs to the class of drugs known as cyclopyrrones.\r\n\r\nIts main selling point is that it is approved by the U.S. Food and Drug Administration for long-term use, unlike almost all other hypnotic sedatives, which are approved only for the relief of short-term (6-8 weeks) insomnia.","Classification":{"Description":"This compound belongs to the cyclopyrrolones. These are compounds belonging to a familly of pyridin-2-ylpyrrole based chemicals. The the pyrrole is usually fused to a benzene, pyrimidine, or dithiin.","DirectParent":"Cyclopyrrolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrazines","SubClass":"Cyclopyrrolones"},"Indication":"For the treatment of insomnia","Toxicity":"Side effects include viral infection, dry mouth, dizziness, hallucinations, infection, rash, and unpleasant taste, with this relationship clearest for unpleasant taste depending on doses.","MechanismOfAction":"The mechanism of action of Eszopiclone is not completely understood. It is thought that Eszopiclone acts on the benzodiazepine receptors as an agonist and interacts with GABA-receptor complexes.","Pharmacodynamics":"Eszopiclone is a nonbenzodiazepine hypnotic, pyrrolopyrazine derivative of the cyclopyrrolone class and is indicated for the short-term treatment of insomnia. While Eszopiclone is a hypnotic agent with a chemical structure unrelated to benzodiazepines, barbiturates, or other drugs with known hypnotic properties, it interacts with the gamma-aminobutyric acid-benzodiazepine (GABA\u003csub\u003eB\u003c/sub\u003eZ) receptor complex. Subunit modulation of the GABA\u003csub\u003eB\u003c/sub\u003eZ receptor chloride channel macromolecular complex is hypothesized to be responsible for some of the pharmacological properties of benzodiazepines, which include sedative, anxiolytic, muscle relaxant, and anticonvulsive effects in animal models. Eszopiclone binds selectively to the brain alpha subunit of the GABA A omega-1 receptor.","Absorption":"Rapidly absorbed following oral administration","Interactions":[{"ID":"DB00976"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00403","Name":"Ceruletide","DrugType":"small molecule","HalfLife":"","Description":"Caerulein is a specific decapeptide similar in action and composition to the natural gastrointestinal peptide hormone cholecystokinin. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle.","Classification":{"Description":"This compound belongs to the peptidomimetics. These are compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide.","DirectParent":"Peptidomimetics","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Caerulein stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. As such, it is used in paralytic ileus and as diagnostic aid in pancreatic malfunction.","Toxicity":"","MechanismOfAction":"Caerulein acts according to its similarity to the natural gastrointestinal peptide hormone cholecystokinin. Cholecystokinin is a peptide hormone of the gastrointestinal system responsible for stimulating the digestion of fat and protein. Cholecystokinin is secreted by the duodenum, the first segment of the small intestine. There it binds to CCK receptors, activating them and causing downstream effects. Specifically, it results in the release of digestive enzymes and bile from the pancreas and gall bladder, respectively. It also acts as a hunger suppresant. Cholecystokinin is secreted by the duodenum when fat- or protein-rich chyme leaves the stomach and enters the duodenum. The hormone acts on the pancreas to stimulate the secretion of the enzymes lipase, amylase, trypsin, and chymotrypsin. Together these pancreatic enzymes catalyze the digestion of fat and protein. Cholecystokinin also stimulates both the contraction of the gall bladder, and the relaxtion of the Sphincter of Oddi (Glisson's Sphinctor), which delivers, (not secretes) bile into the small intestine. Bile salts serve to emulsify fats, thereby increasing the effectiveness with which enzymes can digest them.","Pharmacodynamics":"Caerulein is a specific decapeptide similar in action and composition to the natural gastrointestinal peptide hormone cholecystokinin. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle.","Absorption":"Absorbed following intravenous administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00404","Name":"Alprazolam","DrugType":"small molecule","HalfLife":"6.3-26.9 hours","Description":"A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of panic disorders, with or without agoraphobia, and in generalized anxiety disorders. (From AMA Drug Evaluations Annual, 1994, p238)","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the management of anxiety disorder or the short-term relief of symptoms of anxiety and for the treatment of panic disorder, with or without agoraphobia.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e=1020 mg/kg. Symptoms of overdose include confusion, coma, impaired coordination, sleepiness, and slowed reaction time.","MechanismOfAction":"Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABA\u003csub\u003eA\u003c/sub\u003e) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Pharmacodynamics":"Alprazolam, a benzodiazepine, is used to treat panic disorder and anxiety disorder. Unlike chlordiazepoxide, clorazepate, and prazepam, alprazolam has a shorter half-life and metabolites with minimal activity. Like other triazolo benzodiazepines such as triazolam, alprazolam may have significant drug interactions involving the hepatic cytochrome P-450 3A4 isoenzyme. Clinically, all benzodiazepines cause a dose-related central nervous system depressant activity varying from mild impairment of task performance to hypnosis. Unlike other benzodiazepines, alprazolam may also have some antidepressant activity, although clinical evidence of this is lacking.","Absorption":"Readily absorbed from the gastrointestinal tract. Bioavailability is 80-90%.","Interactions":[{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB01211"},{"ID":"DB00363"},{"ID":"DB00705"},{"ID":"DB00390"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00252"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01323"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"illicit":true,"investigational":true},"Pathways":null},{"ID":"DB00405","Name":"Dexbrompheniramine","DrugType":"small molecule","HalfLife":"25 hours","Description":"Dexbrompheniramine maleate is an antihistamine used to treat allergic conditions such as hay fever or urticaria.\r\n","Classification":{"Description":"This compound belongs to the pheniramines. These are compounds containing a pheniramine moiety, which is structurally characterized by the presence of a 2-benzylpyridine linked to an dimethyl(propyl)amine to form a dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine skeleton.","DirectParent":"Pheniramines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pheniramines"},"Indication":"For treatment and relief of symptoms of allergies, hay fever, and colds","Toxicity":"Signs of an overdose include fast or irregular heartbeat, mental or mood changes, tightness in the chest, and unusual tiredness or weakness.","MechanismOfAction":"Dexbrompheniramine competitively binds to the histamine H\u003csub\u003e1\u003c/sub\u003e-receptor. It competes with histamine for the normal H\u003csub\u003e1\u003c/sub\u003e-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"In allergic reactions an allergen interacts with and cross-links surface IgE antibodies on mast cells and basophils. Once the mast cell-antibody-antigen complex is formed, a complex series of events occurs that eventually leads to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H\u003csub\u003e1\u003c/sub\u003e-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Dexbrompheniramine is a histamine H1 antagonist (or more correctly, an inverse histamine agonist) of the alkylamine class. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.","Absorption":"Antihistamines are well absorbed from the gastrointestinal tract after oral administration.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00406","Name":"Gentian Violet","DrugType":"small molecule","HalfLife":"","Description":"A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of bacterial and fungal infections inside the mouth (thrush) and skin, also for the prevention of transmission of Chagas' disease (as a blood additive).","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=420 mg/kg (rat, oral). Oral administration can cause gastrointestinal irritation, and intravenous injection can cause depression in the white blood cell count.","MechanismOfAction":"In aqueous solutions Gentian violet (GV) dissociates into positive (GV+)and negative ions (Cl-) that penetrate through the wall and membrane of both gram-positive and gram-negative bacterial cells. The GV+ interacts with negatively charged components of bacterial cells including the lipopolysaccharide (on the cell wall), the peptidoglycan and DNA. A similar cell penetration and DNA binding process is thought to take place for fungal cells as well. Because Gentian violet is a mutagen and mitotic poison, cell growth is consequently inhibited. A photodynamic action of gentian violet, apparently mediated by a free-radical mechanism, has recently been described in bacteria and in the protozoan T. cruzi. Evidence also suggests that gentian violet dissipates the bacterial (and mitochondrial) membrane potential by inducing permeability. This is followed by respiratory inhibition. This anti-mitochondrial activity might explain gentian violet's efficacy towards both bacteria and yeast with relatively mild effects on mammalian cells.","Pharmacodynamics":"Gentian violet is a mutagen, a mitotic poison, and a clastogen. Gentian violet has been used in medicine for almost 100 years: as an antiseptic for external use, as a topical antibiotic, as a topical antifungal agent, as an antihelminthic agent by oral administration, and more recently, as a blood additive to prevent transmission of Chagas' disease. It is thought to work by binding to the DNA of target organisms and causing disruption, mutation or inhibition of DNA replication.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000604","Name":"Gentian Violet Chloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00407","Name":"Ardeparin","DrugType":"small molecule","HalfLife":"Elimination half-life for anti-factor Xa activity averages 3.3 hours following a single intravenous dose, while elimination half-life for anti-factor IIa activity averages 1.2 hours following a single intravenous dose.","Description":"Ardeparin, marketed under the US trade name Normiflo, is a low molecular weight heparin (LMWH) anticoagulant used for the prevention of postoperative venous thrombosis. Ardeparin is derived via peroxide degradation of heparin extracted from porcine intestinal mucosa. Its molecular weight ranges from 2000 to 15,000 with an average molecular weight of 5500 to 6500. Normiflo was withdrawn from the US market in March 2000.","Classification":{"Description":"This compound belongs to the tetrahexoses. These are tetrasaccharides containing four hexose carbohydrates.","DirectParent":"Tetrahexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Tetrasaccharides"},"Indication":"For prevention of deep vein thrombosis, which may result in pulmonary embolism, following knee surgery.","Toxicity":"Symptoms of overdose may include excessive bleeding and bruising.","MechanismOfAction":"Ardeparin binds to antithrombin III, accelerating its activity in inactivating factor Xa and thrombin, thereby inhibiting thrombosis. Ardeparin also binds to heparin cofactor II, inhibiting thrombin. Ardeparin does not effect prothrombin time (PT) assays and may prolong activated partial thromboplastin time (APTT). Ardeparin has double the anti-factor Xa activity versus anti-factor IIa activity, compared to unfractionated heparin which has approximately equal anti-factor Xa activity and anti-factor IIa activity.","Pharmacodynamics":"Ardeparin, an anticoagulant, is a fractionated heparin. It acts at multiple sites in the normal coagulation system to inhibit reactions that lead to the clotting of blood and the formation of fibrin clots both \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e.","Absorption":"Well absorbed following subcutaneous administration, with a mean bioavailability of 92% (based on anti-factor Xa activity).","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":[{"ID":"SMP00275","Drugs":["DB00407","DB01373"]}]},{"ID":"DB00408","Name":"Loxapine","DrugType":"small molecule","HalfLife":"Oral-4 hours","Description":"An antipsychotic agent used in schizophrenia. [PubChem]","Classification":{"Description":"This compound belongs to the dibenzoxazepines. These are compounds containing a dibenzoxazepine moiety, which consists of two benzene connected by an oxazepine ring.","DirectParent":"Dibenzoxazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazepines","SubClass":"Dibenzoxazepines"},"Indication":"For the management of the manifestations of psychotic disorders such as schizophrenia","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=65 mg/kg (Orally in mice)","MechanismOfAction":"Loxapine is a dopamine antagonist, and also a serotonin 5-HT2 blocker. The exact mode of action of Loxapine has not been established, however changes in the level of excitability of subcortical inhibitory areas have been observed in several animal species in association with such manifestations of tranquilization as calming effects and suppression of aggressive behavior.","Pharmacodynamics":"Loxapine, a dibenzoxazepine compound, represents a subclass of tricyclic antipsychotic agents, chemically distinct from the thioxanthenes, butyrophenones, and phenothiazines. Pharmacologically, Loxapine is a tranquilizer for which the exact mode of action has not been established, however, it is believed that by antagonising dopamine and serotonin receptors, there is a marked cortical inhibition which can manifest as tranquilization and suppression of aggression.","Absorption":"Systemic bioavailability of the parent drug was only about one third that after an equivalent intramuscular dose (25 mg base) in male volunteers","Interactions":[{"ID":"DB06697"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB06708"},{"ID":"DB00989"},{"ID":"DB05271"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB04844"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00409","Name":"Remoxipride","DrugType":"small molecule","HalfLife":"4-7 hours","Description":"An antipsychotic agent that is specific for dopamine D2 receptors. It has been shown to be effective in the treatment of schizophrenia. [PubChem]","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Remoxipride is an atypical antipsychotic once used for the treatment of schizophrenia.","Toxicity":"","MechanismOfAction":"Remoxipride acts as an antagonist at the D2 dopamine receptor. It is believed that overactivity of dopamine systems in the mesolimbic pathway may contribute to the \"positive symptoms\" of schizophrenia (such as delusions and hallucinations), whereas problems with dopamine function in the mesocortical pathway may be responsible for the \"negative symptoms\", such as avolition, flat emotional response and alogia. Therefore, by decreasing the levels of dopamine in these pathways, it is thought that remoxipride is able to reduce the symptoms of schizophrenia, particularily the \"positive symptoms\".","Pharmacodynamics":"Remoxipride, a substituted benzamide, is a selective D2 receptor antagonist. It has been shown to be effective in the treatment of schizophrenia. Some antipsychotics block domapinergic receptors as well as cholinergic, noradrenergic and histaminergic receptors. Remoxipride was developed to act specifically on the dopamine D2 receptor. As a consequence, several undesired side effects can occur. Patients often feel they are not taking any antipsychotic drug. It has a potent affinity for the sigma receptor, but it is unclear whether it is a sigma agonist or antagonist. The contribution of this property to its clinical profile is unknown. Blocking the D2 dopamine receptor is known to cause relapse in patients that have achieved remission from depression, and such blocking also counteracts the effectiveness of SSRI medication.","Absorption":"Rapidly absorbed. Absolute bioavailability is 90%.","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00410","Name":"Mupirocin","DrugType":"small molecule","HalfLife":"20 to 40 minutes","Description":"Mupirocin (pseudomonic acid A, or Bactroban or Centany) is an antibiotic originally isolated from Pseudomonas fluorescens. It is used topically, and is primarily effective against Gram-positive bacteria. Mupirocin is bacteriostatic at low concentrations and bactericidal at high concentrations.\r\nMupirocin has a unique mechanism of action, which is selective binding to bacterial isoleucyl-tRNA synthetase, which halts the incorporation of isoleucine into bacterial proteins. Because this mechanism of action is not shared with any other antibiotic, mupirocin has few problems of antibiotic cross-resistance.","Classification":{"Description":"This compound belongs to the fatty acid esters. These are carboxylic ester derivatives of a fatty acid.","DirectParent":"Fatty Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acid Esters","SubClass":""},"Indication":"For the treatment of \u003ci\u003eStaphylococci\u003c/i\u003e nasal carriers.","Toxicity":"","MechanismOfAction":"Mupirocin reversibly binds to bacterial isoleucyl-tRNA synthetase, an enzyme which promotes the conversion of isoleucine and tRNA to isoleucyl-tRNA. Prevention of this enzymes from functioning properly results in the inhibition of bacterial protein and RNA synthesis.","Pharmacodynamics":"Mupirocin, an antibiotic produced from \u003ci\u003ePseudomonas fluorescens\u003c/i\u003e, is structurally unrelated to any other topical or systemic antibiotics. Mupirocin is used to treat infection caused by \u003ci\u003eStaphylococcus aureus\u003c/i\u003e and beta-hemolytic streptococci including \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e. This antibiotic has little, if any, potential for cross-resistance with other antibiotics.","Absorption":"No measurable systemic absorption","Interactions":null,"Salts":[{"ID":"DBSALT001049","Name":"Mupirocin calcium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00411","Name":"Carbachol","DrugType":"small molecule","HalfLife":"","Description":"A slowly hydrolyzed cholinergic agonist that acts at both muscarinic and nicotinic receptors. [PubChem]","Classification":{"Description":"This compound belongs to the cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.","DirectParent":"Cholines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Cholines"},"Indication":"Primarily used in the treatment of glaucoma, but is also used during ophthalmic surgery.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 15 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 40 mg/kg.","MechanismOfAction":"Carbachol is a parasympathomimetic that stimulates both muscarinic and nicotinic receptors. In topical ocular and intraocular administration its principal effects are miosis and increased aqueous humour outflow.","Pharmacodynamics":"Carbachol is a potent cholinergic (parasympathomimetic) agent which produces constriction of the iris and ciliary body resulting in reduction in intraocular pressure. The exact mechanism by which carbachol lowers intraocular pressure is not precisely known. In the cat and rat, carbachol is well-known for its ability to induce rapid eye movement (REM) sleep when microinjected into the pontine reticular formation. Carbachol elicits this REM sleep-like state via activation of postsynaptic muscarinic cholinergic receptors (mAChRs).","Absorption":"Not well absorbed in the gastro-intestinal tract, and does not cross the blood-brain barrier.","Interactions":[{"ID":"DB00382"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00412","Name":"Rosiglitazone","DrugType":"small molecule","HalfLife":"3-4 hours (single oral dose, independent of dose) ","Description":"Rosiglitazone is an anti-diabetic drug in the thiazolidinedione class of drugs. It is marketed by the pharmaceutical company GlaxoSmithKline as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Like other thiazolidinediones, the mechanism of action of rosiglitazone is by activation of the intracellular receptor class of the peroxisome proliferator-activated receptors (PPARs), specifically PPARγ. Rosiglitazone is a selective ligand of PPARγ, and has no PPARα-binding action. Apart from its effect on insulin resistance, it appears to have an anti-inflammatory effect: nuclear factor kappa-B (NFκB) levels fall and inhibitor (IκB) levels increase in patients on rosiglitazone. Recent research has suggested that rosiglitazone may also be of benefit to a subset of patients with Alzheimer's disease not expressing the ApoE4 allele. This is the subject of a clinical trial currently underway.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Rosiglitazone is indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. ","Toxicity":"Side effects include fluid retention, congestive heart failure (CHF), liver disease","MechanismOfAction":"Rosiglitazone acts as a highly selective and potent agonist at peroxisome proliferator activated receptors (PPAR) in target tissues for insulin action such as adipose tissue, skeletal muscle, and liver. Activation of PPAR-gamma receptors regulates the transcription of insulin-responsive genes involved in the control of glucose production, transport, and utilization. In this way, rosiglitazone enhances tissue sensitivity to insulin.","Pharmacodynamics":"When rosiglitazone is used as monotherapy, it is associated with increases in total cholesterol, LDL, and HDL. It is also associated with decreases in free fatty acids. Increases in LDL occurred primarily during the first 1 to 2 months of therapy with AVANDIA and LDL levels remained elevated above baseline throughout the trials. In contrast, HDL continued to rise over time. As a result, the LDL/HDL ratio peaked after 2 months of therapy and then appeared to decrease over time. ","Absorption":"The absolute bioavailability of rosiglitazone is 99%. Peak plasma concentrations are observed about 1 hour after dosing. Administration of rosiglitazone with food resulted in no change in overall exposure (AUC), but there was an approximately 28% decrease in C\u003csub\u003emax\u003c/sub\u003e and a delay in T\u003csub\u003emax\u003c/sub\u003e (1.75 hours). These changes are not likely to be clinically significant; therefore, rosiglitazone may be administered with or without food. Maximum plasma concentration (Cmax) and the area under the curve (AUC) of rosiglitazone increase in a dose-proportional manner over the therapeutic dose range. ","Interactions":[{"ID":"DB06237"},{"ID":"DB00930"},{"ID":"DB01241"},{"ID":"DB01026"},{"ID":"DB01045"},{"ID":"DB00052"},{"ID":"DB00755"}],"Salts":[{"ID":"DBSALT000153","Name":"Rosiglitazone Maleate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00413","Name":"Pramipexole","DrugType":"small molecule","HalfLife":"8 hours","Description":"Pramipexole is a medication indicated for treating Parkinson's disease and restless legs syndrome (RLS). It is also sometimes used off-label as a treatment for cluster headache or to counteract the problems with low libido experienced by some users of SSRI antidepressant drugs. Pramipexole has shown robust effects on pilot studies in bipolar disorder. Pramipexole is classified as a non-ergoline dopamine agonist.","Classification":{"Description":"This compound belongs to the aminothiazoles. These are compounds containing a thiazole ring substituted by one or more amine groups.","DirectParent":"Aminothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"For the treatment of signs and symptoms of idiopathic Parkinson's disease","Toxicity":"","MechanismOfAction":"The precise mechanism of action of Pramipexole as a treatment for Parkinson's disease is unknown, although it is believed to be related to its ability to stimulate dopamine receptors in the striatum.","Pharmacodynamics":"Pramipexole is a nonergot dopamine agonist with high relative \u003ci\u003ein vitro\u003c/i\u003e specificity and full intrinsic activity at the D2 subfamily of dopamine receptors, binding with higher affinity to D3 than to D2 or D4 receptor subtypes. The relevance of D3 receptor binding in Parkinson's disease is unknown. The precise mechanism of action of Pramipexole as a treatment for Parkinson's disease is unknown, although it is believed to be related to its ability to stimulate dopamine receptors in the striatum. This conclusion is supported by electrophysiologic studies in animals that have demonstrated that Pramipexole influences striatal neuronal firing rates via activation of dopamine receptors in the striatum and the substantia nigra, the site of neurons that send projections to the striatum.","Absorption":"Rapid. Absolute bioavailability is greater than 90%, indicating that pramipexole is well absorbed and undergoes little presystemic metabolism. Food does not affect the extent of absorption.","Interactions":[{"ID":"DB00501"},{"ID":"DB01551"},{"ID":"DB01267"},{"ID":"DB01623"},{"ID":"DB00427"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000143","Name":"Pramipexole hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00414","Name":"Acetohexamide","DrugType":"small molecule","HalfLife":"Elimination half-life of the parent compound is 1.3 hours and the elimination half-life of the active metabolite is approximately 5-6 hours.","Description":"A sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide. Acetohexamide has been discontinued in the US market. ","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Used in the management of diabetes mellitus type 2 (adult-onset).","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 5 gm/kg; Oral, mouse LD\u003csub\u003e50\u003c/sub\u003e: \u003e2500 mg/kg. Symptoms of an acetohexamide overdose include hunger, nausea, anxiety, cold sweats, weakness, drowsiness, unconsciousness, and coma.","MechanismOfAction":"Sulfonylureas such as acetohexamide bind to an ATP-dependent K\u003csup\u003e+\u003c/sup\u003e channel on the cell membrane of pancreatic beta cells. This inhibits a tonic, hyperpolarizing outflux of potassium, which causes the electric potential over the membrane to become more positive. This depolarization opens voltage-gated Ca\u003csup\u003e2+\u003c/sup\u003e channels. The rise in intracellular calcium leads to increased fusion of insulin granulae with the cell membrane, and therefore increased secretion of (pro)insulin.","Pharmacodynamics":"Acetohexamide is an intermediate-acting, first-generation oral sulfonylurea. It lowers blood sugar by stimulating the pancreatic beta cells to secrete insulin and by helping the body use insulin efficiently. The pancreas must produce insulin for this medication to work. Acetohexamide has one-third the potency of chlorpropamide, and twice the potency of tolbutamide; however, similar hypoglycemic efficacy occurs with equipotent dosage of sulfonylureas.","Absorption":"Rapidly absorbed from the GI tract.","Interactions":[{"ID":"DB01193"},{"ID":"DB00945"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00446"},{"ID":"DB00636"},{"ID":"DB00266"},{"ID":"DB00187"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB00812"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB00489"},{"ID":"DB00373"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00415","Name":"Ampicillin","DrugType":"small molecule","HalfLife":"","Description":"Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For treatment of infection (Respiratory, GI, UTI and meningitis) due to E. coli, P. mirabilis, enterococci, Shigella, S. typhosa and other Salmonella, nonpenicillinase-producing N. gononhoeae, H. influenzae, staphylococci, streptococci including streptoc","Toxicity":"","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, Ampicillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Ampicillin interferes with an autolysin inhibitor.","Pharmacodynamics":"Ampicillin is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name \"penicillin\" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Ampicillin has \u003ci\u003ein vitro\u003c/i\u003e activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Ampicillin results from the inhibition of cell wall synthesis and is mediated through Ampicillin binding to penicillin binding proteins (PBPs). Ampicillin is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases.","Absorption":"","Interactions":[{"ID":"DB00335"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT000533","Name":"Ampicillin sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00416","Name":"Metocurine Iodide","DrugType":"small molecule","HalfLife":"3 to 4 hours","Description":"Metocurine iodide is a benzylisoquinolinium competitive nondepolarizing neuromuscular blocking agent. It is used as an anesthesia adjunct to induce skeletal muscle relaxation and to reduce the intensity of muscle contractions in convulsive therapy Metocurine iodide has a moderate risk of inducing histamine release and has some ganglion blocking activity. Metocurine iodide can be used most advantageously if muscle twitch response to peripheral nerve stimulation is monitored to assess degree of muscle relaxation. Metocurine Iodide is no longer available on the US market. ","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"For use as an anesthesia adjunct to induce skeletal muscle relaxation and to reduce the intensity of muscle contractions in convulsive therapy.","Toxicity":"Excessive doses can be expected to produce enhanced pharmacological effects. Overdosage may increase the risk of histamine release and cardiovascular effects, especially hypotension.","MechanismOfAction":"Metocurine iodide antagonizes the neurotransmitter action of acetylcholine by binding competitively with cholinergic receptor sites on the motor end-plate. This antagonism is inhibited, and neuromuscular block reversed, by acetylcholinesterase inhibitors such as neostigmine, edrophonium, and pyridostigmine.","Pharmacodynamics":"Metocurine iodide is a benzylisoquinolinium competitive nondepolarizing neuromuscular blocking agent. Metocurine iodide has a moderate risk of inducing histamine release and has some ganglion blocking activity. Metocurine iodide can be used most advantageously if muscle twitch response to peripheral nerve stimulation is monitored to assess degree of muscle relaxation. As with other nondepolarizing neuromuscular blockers, the time to onset of paralysis decreases and the duration of maximum effect increases with increasing doses of metocurine iodide. Repeated administration of maintenance doses of metocurine iodide has no cumulative effect on the duration of neuromuscular block if recovery is allowed to begin prior to repeat dosing. Moreover, the time needed to recover from repeat doses does not change with additional doses. Repeat doses can therefore be administered at relatively regular intervals with predictable results.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00417","Name":"Penicillin V","DrugType":"small molecule","HalfLife":"30 to 40 minutes","Description":"Penicillin V is narrow spectrum antibiotic used to treat mild to moderate infections caused by susceptible bacteria. It is a natural penicillin antibiotic that is administered orally. Penicillin V may also be used in some cases as prophylaxis against susceptible organisms.\r\n \r\nNatural penicillins are considered the drugs of choice for several infections caused by susceptible gram positive aerobic organisms, such as \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, groups A, B, C and G streptococci, nonenterococcal group D streptococci, viridans group streptococci, and non-penicillinase producing staphylococcus. Aminoglycosides may be added for synergy against group B streptococcus (\u003ci\u003eS. agalactiae\u003c/i\u003e), \u003ci\u003eS. viridans\u003c/i\u003e, and \u003ci\u003eEnterococcus faecalis\u003c/i\u003e. The natural penicillins may also be used as first or second line agents against susceptible gram positive aerobic bacilli such as \u003ci\u003eBacillus anthracis\u003c/i\u003e, \u003ci\u003eCorynebacterium diphtheriae\u003c/i\u003e, and \u003ci\u003eErysipelothrix rhusiopathiae\u003c/i\u003e. Natural penicillins have limited activity against gram negative organisms; however, they may be used in some cases to treat infections caused by \u003ci\u003eNeisseria meningitidis\u003c/i\u003e and \u003ci\u003ePasteurella\u003c/i\u003e. They are not generally used to treat anaerobic infections. Resistance patterns, susceptibility and treatment guidelines vary across regions. ","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of mild to moderately severe infections (e.g. dental infection, infections in the heart, middle ear infections, rheumatic fever, scarlet fever, skin infections, upper and lower respiratory tract infections) due to microorganisms","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e \u003e1040 mg/kg (Orally in rats with Sodium salt); Nausea, vomiting, stomach pain, diarrhea, and, in rare cases, major motor seizures","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, Penicillin V inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Penicillin V interferes with an autolysin inhibitor.","Pharmacodynamics":"Penicillin V is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name \"penicillin\" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Penicillin V has \u003ci\u003ein vitro\u003c/i\u003e activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Penicillin V results from the inhibition of cell wall synthesis and is mediated through Penicillin V binding to penicillin binding proteins (PBPs). Penicillin V is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases.","Absorption":"25% of the dose given is absorbed, 50-60% bioavailable","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB02703"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT000299","Name":"Phenoxomethylpenicillin potassium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00418","Name":"Secobarbital","DrugType":"small molecule","HalfLife":"","Description":"Secobarbital (marketed by Eli Lilly and Company under the brand names Seconal® and Tuinal) is a barbiturate derivative drug. It possesses anaesthetic, anticonvulsant, sedative and hypnotic properties. In the United Kingdom, it was known as Quinalbarbitone.","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the Short-term treatment of intractable insomnia for patients habituated to barbiturates","Toxicity":"Symptoms of an overdose typically include sluggishness, incoordination, difficulty in thinking, slowness of speech, faulty judgment, drowsiness or coma, shallow breathing, staggering, and in severe cases coma and death.","MechanismOfAction":"Secobarbital binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Secobarbital, a barbiturate, is used for the induction of anesthesia prior to the use of other general anesthetic agents and for induction of anesthesia for short surgical, diagnostic, or therapeutic procedures associated with minimal painful stimuli. Little analgesia is conferred by barbiturates; their use in the presence of pain may result in excitation.","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB06769"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00277"},{"ID":"DB00755"},{"ID":"DB00620"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00661"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000255","Name":"Secobarbital Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00419","Name":"Miglustat","DrugType":"small molecule","HalfLife":"The effective half-life of miglustat is approximately 6 to 7 hours.","Description":"Miglustat is a drug used to treat Gaucher disease. It inhibits the enzyme glucosylceramide synthase, an essential enzyme for the synthesis of most glycosphingolipids. It is only used for patients who cannot be treated with enzyme replacement therapy with imiglucerase. Miglustat is marketed under the trade name Zavesca. Miglustat is now the first and only approved therapy for patients with Niemann-Pick disease type C (NP-C). It has recently been approved for treatment of progressive neurological symptoms in adult and pediatric patients in the European Union, Brazil, and South Korea. Miglustat was first developed as an anti-HIV agent in the 1990s. However, clinical experience with miglustat showed that therapeutic levels of the drug could not be achieved in patients without a high incidence of adverse effect.","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"For the treatment of adult patients with mild to moderate type 1 (nonneuropathic) Gaucher's disease for whom enzyme replacement therapy is not a therapeutic option (e.g. due to constraints such as allergy, hypersensitivity, or poor venous access). Now approved in some countries for the treatment of progressive neurological symptoms in adult and pediatric patients with Niemann-Pick disease type C (NP-C). ","Toxicity":"Miglustat has been administered at doses of up to 3000 mg/day (approximately 10 times the recommended starting dose administered to Gaucher patients) for up to six months in Human Immunodeficiency Virus (HIV)-positive patients. Adverse events observed in the HIV studies included granulocytopenia, dizziness, and paresthesia. Leukopenia and neutropenia have also been observed in a similar group of patients receiving 800 mg/day or above.","MechanismOfAction":"Miglustat functions as a competitive and reversible inhibitor of the enzyme glucosylceramide synthase, the initial enzyme in a series of reactions which results in the synthesis of most glycosphingolipids. The goal of treatment with miglustat is to reduce the rate of glycosphingolipid biosynthesis so that the amount of glycosphingolipid substrate is reduced to a level which allows the residual activity of the deficient glucocerebrosidase enzyme to be more effective (substrate reduction therapy), reducing the accumulation of glucocerebroside in macrophages. In vitro and in vivo studies have shown that miglustat can reduce the synthesis of glucosylceramide-based glycosphingolipids. In clinical trials, miglustat improved liver and spleen volume, as well as hemoglobin concentration and platelet count. Inhibition of glycosphingolipid synthesis has also shown to reduce intracellular lipid storage, improve fluid-phase endosomal uptake and normalize lipid transport in peripheral blood B lymphocytes of NP-C patients, which results in a decrease in the potentially neurotoxic accumulation of gnagliosides G\u003csub\u003eM2\u003c/sub\u003e and G\u003csub\u003eM3\u003c/sub\u003e, lactosylceramide and glucosylceramide, possibly preventing further neuronal damage. Other studies have also suggested that miglustat may indirectly modulate intracellular calcium homeostasis through its effects on glucosylceramide levels, and evidence has shown that an initiating factor in the pathogenesis of NP-C may be impaired calcium homeostasis related to sphingosine storage. Therefore, the effect that miglustat exerts on intracellular calcium levels may influence an important underlying pathogenic mechanism of NP-C.","Pharmacodynamics":"Miglustat, an N-alkylated imino sugar, is a synthetic analogue of D-glucose. Miglustat is an inhibitor of the enzyme glucosylceramide synthase, which is a glucosyl transferase enzyme responsible for catalyzing the formation of glucosylceramide (glucocerebroside). Glucosylceramide is a substrate for the endogenous glucocerebrosidase, an enzyme that is deficient in Gaucher's disease. The accumulation of glucosylceramide due to the absence of glucocerebrosidase results in the storage of this material in the lysosomes of tissue macrophages, leading to widespread pathology due to infiltration of lipid-engorged macrophages in the viscera, lymph nodes, and bone marrow. This results in secondary hematologic consequences including sever anemia and thrombocytopenia, in addition to the characteristic progressive hepatosplenomegaly, as well as skeletal complications including osteonecrosis and osteopenia with secondary pathological fractures.","Absorption":"Mean oral bioavailability is 97%.","Interactions":null,"Salts":[{"ID":"DBSALT000621","Name":"Miglustat Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00420","Name":"Promazine","DrugType":"small molecule","HalfLife":"","Description":"A phenothiazine with actions similar to chlorpromazine but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic. Promazine is not approved for use in the United States. ","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Used as an adjunct for short term treatment of moderate and severe psychomotor agitation. Also used to treat agitation or restlessness in the elderly.","Toxicity":"Side effects include: extrapyramidal symptoms, drowsiness, weight gain, dry mouth, constipation, endocrine effects (such as gynaecomastia and menstrual disturbance), sensitivity to sunlight and haemolytic anaemia.","MechanismOfAction":"Promazine is an antagonist at types 1, 2, and 4 dopamine receptors, 5-HT receptor types 2A and 2C, muscarinic receptors 1 through 5, alpha(1)-receptors, and histamine H1-receptors. Promazine's antipsychotic effect is due to antagonism at dopamine and serotonin type 2 receptors, with greater activity at serotonin 5-HT2 receptors than at dopamine type-2 receptors. This may explain the lack of extrapyramidal effects. Promazine does not appear to block dopamine within the tubero-infundibular tract, explaining the lower incidence of hyperprolactinemia than with typical antipsychotic agents or risperidone. Antagonism at muscarinic receptors, H1-receptors, and alpha(1)-receptors also occurs with promazine.","Pharmacodynamics":"Promazine belongs to a group of medications known as the phenothiazine antipsychotics. It acts by blocking a variety of receptors in the brain, particularly dopamine receptors. Dopamine is involved in transmitting signals between brain cells. When there is an excess amount of dopamine in the brain it causes over-stimulation of dopamine receptors. These receptors normally act to modify behaviour and over-stimulation may result in psychotic illness. Promazine hydrochloride blocks these receptors and stops them becoming over-stimulated, thereby helping to control psychotic illness. Promazine has weak extrapyramidal and autonomic side effects which lead to its use in the elderly, for restless or psychotic patients. Its anti-psychotic effect is also weaker and it is not useful in general psychiatry.","Absorption":"Absorption may be erratic and peak plasma concentrations show large interindividual differences.","Interactions":[{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB00579"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00342"}],"Salts":[{"ID":"DBSALT000147","Name":"Promazine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00421","Name":"Spironolactone","DrugType":"small molecule","HalfLife":"10 minutes","Description":"A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827)","Classification":{"Description":"This compound belongs to the steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton.","DirectParent":"Steroid Lactones","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Lactones"},"Indication":"Used primarily to treat low-renin hypertension, hypokalemia, and Conn's syndrome.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e of spironolactone is greater than 1,000 mg/kg in mice, rats, and rabbits. Acute overdosage of spironolactone may be manifested by drowsiness, mental confusion, maculopapular or erythematous rash, nausea, vomiting, dizziness, or diarrhea. Spironolactone has been shown to be a tumorigen in chronic toxicity studies in rats.","MechanismOfAction":"Spironolactone is a specific pharmacologic antagonist of aldosterone, acting primarily through competitive binding of receptors at the aldosterone-dependent sodium-potassium exchange site in the distal convoluted renal tubule. Spironolactone causes increased amounts of sodium and water to be excreted, while potassium is retained. Spironolactone acts both as a diuretic and as an antihypertensive drug by this mechanism. It may be given alone or with other diuretic agents which act more proximally in the renal tubule. Aldosterone interacts with a cytoplasmic mineralocorticoid receptor to enhance the expression of the Na+, K+-ATPase and the Na+ channel involved in a Na+ K+ transport in the distal tubule . Spironolactone bind to this mineralcorticoid receptor, blocking the actions of aldosterone on gene expression. Aldosterone is a hormone; its primary function is to retain sodium and excrete potassium in the kidneys.","Pharmacodynamics":"Spironolactone is a synthetic 17-lactone steroid which is a renal competitive aldosterone antagonist in a class of pharmaceuticals called potassium-sparing diuretics. On its own, spironolactone is only a weak diuretic, but it can be combined with other diuretics. Due to its anti-androgen effect, it can also be used to treat hirsutism, and is a common component in hormone therapy for male-to-female transgendered people. Spironolactone inhibits the effect of aldosterone by competing for intracellular aldosterone receptor in the distal tubule cells. This increases the secretion of water and sodium, while decreasing the excretion of potassium. Spironolactone has a fairly slow onset of action, taking several days to develop and similarly the effect diminishes slowly.","Absorption":"Fairly rapidly absorbed from the gastrointestinal tract. Food increases the bioavailability of unmetabolized spironolactone by almost 100%.","Interactions":[{"ID":"DB00542"},{"ID":"DB00796"},{"ID":"DB01197"},{"ID":"DB01432"},{"ID":"DB01340"},{"ID":"DB00390"},{"ID":"DB00584"},{"ID":"DB00700"},{"ID":"DB00876"},{"ID":"DB00492"},{"ID":"DB01029"},{"ID":"DB00722"},{"ID":"DB00678"},{"ID":"DB00648"},{"ID":"DB00790"},{"ID":"DB01344"},{"ID":"DB01345"},{"ID":"DB00881"},{"ID":"DB00178"},{"ID":"DB00966"},{"ID":"DB00684"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00134","Drugs":["DB00151","DB00421","DB01345","DB03904"]}]},{"ID":"DB00422","Name":"Methylphenidate","DrugType":"small molecule","HalfLife":"d-methylphenidate = 3-4 hours;\r\nl-methylphenidate = 1-3 hours; \r\nRitalinic acid = 3-4 hours; ","Description":"A central nervous system stimulant used most commonly in the treatment of attention-deficit disorders in children and for narcolepsy. Its mechanisms appear to be similar to those of dextroamphetamine. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For use as an integral part of a total treatment program which typically includes other remedial measures (psychological, educational, social) for a stabilizing effect in children with a behavioral syndrome characterized by the following group of developmentally inappropriate symptoms: moderate-to-severe distractibility, short attention span, hyperactivity, emotional lability, and impulsivity.","Toxicity":"Symptoms of overdose include vomiting, agitation, tremors, hyperreflexia, muscle twitching, convulsions (may be followed by coma), euphoria, confusion, hallucinations, delirium, sweating, flushing, headache, hyperpyrexia, tachycardia, palpitations, cardiac arrhythmias, hypertension, mydriasis, and dryness of mucous membranes. LD\u003csub\u003e50\u003c/sub\u003e=190mg/kg (orally in mice)","MechanismOfAction":"Methylphenidate blocks dopamine uptake in central adrenergic neurons by blocking dopamine transport or carrier proteins. Methylphenidate acts at the brain stem arousal system and the cerebral cortex and causes increased sympathomimetic activity in the central nervous system. Alteration of serotonergic pathways via changes in dopamine transport may result.","Pharmacodynamics":"Methylphenidate is a central nervous system stimulant used most commonly in the treatment of attention-deficit disorders in children and for narcolepsy. Methylphenidate also blocks the reuptake of norepinephrine and dopamine. Its mechanisms appear to be similar to those of dextroamphetamine. Furthermore, it is a racemic mixture comprised of the d- and l-threo enantiomers. The d-threo enantiomer is more pharmacologically active than the l-threo enantiomer. ","Absorption":"Readily absorbed in a biphasic manner when orally administered (tablets) to children diagnosed with ADHD and to healthy adults. In children and adults males, after administration of a single oral dose of Ritalin LA and Ritalin given in two doses 4 hours apart, peak plasma concentration is reached approximately 2 hours for the first phase and 5-6 hours for the second phase. The absolute oral bioavailability of methylphenidate in children was 22±8% for d-methylphenidate and 5±3% for l-methylphenidate. These low values suggest that methylphenidate is highly metabolized presystemically. ","Interactions":[{"ID":"DB09026"},{"ID":"DB00564"},{"ID":"DB00091"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00519"},{"ID":"DB00752"}],"Salts":[{"ID":"DBSALT000117","Name":"Methylphenidate Hydrochloride "}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00423","Name":"Methocarbamol","DrugType":"small molecule","HalfLife":"1.14-1.24 hours","Description":"A centrally acting muscle relaxant whose mode of action has not been established. It is used as an adjunct in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1206)","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For use as an adjunct to rest, physical therapy, and other measures for the relief of discomforts associated with acute, painful musculoskeletal conditions.","Toxicity":"Symptoms of overdose include blurred vision, coma, drowsiness, low blood pressure, nausea, and seizures.","MechanismOfAction":"The mechanism of action of methocarbamol in humans has not been established, but may be due to central nervous system depression. It has no direct action on the contractile mechanism of striated muscle, the motor end plate or the nerve fiber.","Pharmacodynamics":"Methocarbamol is a central muscle relaxant for skeletal muscles, used to treat spasms. It is structurally related to guaifenesin. Methocarbamol's exact mechanism of causing skeletal muscle relaxation is unknown. It is thought to work centrally, perhaps by general depressant effects. It has no direct relaxant effects on striated muscle, nerve fibers, or the motor endplate. It will not directly relax contracted skeletal muscles. The drug has a secondary sedative effect.","Absorption":"Rapid. Onset of action is about 30 minutes after oral administration.","Interactions":[{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00424","Name":"Hyoscyamine","DrugType":"small molecule","HalfLife":"2-3.5 hours","Description":"Hyoscyamine is a chemical compound, a tropane alkaloid it is the levo-isomer to atropine. It is a secondary metabolite of some plants, particularly henbane (Hyoscamus niger.)\r\nHyoscyamine is used to provide symptomatic relief to various gastrointestinal disorders including spasms, peptic ulcers, irritable bowel syndrome, pancreatitis, colic and cystitis. It has also been used to relieve some heart problems, control some of the symptoms of Parkinson's disease, as well as for control of respiratory secretions in end of life care.","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For treatment of bladder spasms, peptic ulcer disease, diverticulitis, colic, irritable bowel syndrome, cystitis, and pancreatitis. Also used to treat certain heart conditions, to control the symptoms of Parkinson's disease and rhinitis.","Toxicity":"Symptoms of overdose include headache, nausea, vomiting, blurred vision, dilated pupils, hot dry skin, dizziness, dryness of the mouth, difficulty in swallowing, and CNS stimulation. LD\u003csub\u003e50\u003c/sub\u003e=mg/kg(orally in rat)","MechanismOfAction":"Hyoscyamine competes favorably with acetylcholine for binding at muscarinic receptors in the salivary, bronchial, and sweat glands as well as in the eye, heart, and gastrointestinal tract. The actions of hyoscyamine result in a reduction in salivary, bronchial, gastric and sweat gland secretions, mydriasis, cycloplegia, change in heart rate, contraction of the bladder detrusor muscle and of the gastrointestinal smooth muscle, and decreased gastrointestinal motility.","Pharmacodynamics":"L-Hyoscyamine, the active optical isomer of atropine (dl-hyoscyamine), is a tertiary amine anticholinergic gastrointestinal agent.","Absorption":"Absorbed totally and completely by sublingual administration as well as oral administration.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT001048","Name":"Hyoscyamine hydrobromide"},{"ID":"DBSALT001011","Name":"Hyoscyamine sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00425","Name":"Zolpidem","DrugType":"small molecule","HalfLife":"2.6 hours","Description":"Zolpidem is a prescription short-acting nonbenzodiazepine hypnotic that potentiates gamma-aminobutyric acid (GABA), an inhibitory neurotransmitter, by binding to benzodiazepine receptors which are located on the gamma-aminobutyric acid receptors. Zolpidem is used for the short-term treatment of insomnia. It works quickly (usually within 15 minutes) and has a short half-life (2-3 hours). It is classified as an imidazopyridine. As an anticonvulsant and muscle relaxant, the beneficial effects start to emerge at 10 and 20 times the dose required for sedation, respectively. For that reason, it has never been approved for either muscle relaxation or seizure prevention. Recently, zolpidem has been cited in various medical reports mainly in the United Kingdom as waking persistent vegetative state (PVS) patients, and dramatically improving the conditions of people with brain injuries. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"For the short-term treatment of insomnia.","Toxicity":"Oral (male rat) LD\u003csub\u003e50\u003c/sub\u003e = 695 mg/kg. Symptoms of overdose include impairment of consciousness ranging from somnolence to light coma.","MechanismOfAction":"Zolpidem modulates the alpha-subunit, known as the benzodiazepine receptor, within the GABA\u003csub\u003eA\u003c/sub\u003e receptor chloride channel macromolecular complex. Unlike the benzodiazepines, which non-selectively interact with all three alpha-receptor subtypes, Zolpidem preferentially binds to the alpha-1 receptor.","Pharmacodynamics":"Zolpidem is a sedative or hypnotic agent with a chemical structure unrelated to benzodiazepines, barbiturates, or other drugs with known hypnotic properties. It interacts with a GABA-BZ receptor complex and shares some of the pharmacological properties of the benzodiazepines. In contrast to the benzodiazepines, which non-selectively bind to and activate all three alpha receptor subtypes, zolpidem in vitro binds the (alpha1) receptor preferentially. The (alpha1) receptor is found primarily on the Lamina IV of the sensorimotor cortical regions, substantia nigra (pars reticulata), cerebellum molecular layer, olfactory bulb, ventral thalamic complex, pons, inferior colliculus, and globus pallidus.","Absorption":"Zolpidem is rapidly absorbed from the GI tract.","Interactions":[{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01551"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB01403"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01263"},{"ID":"DB00908"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT001047","Name":"Zolpidem tartrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00426","Name":"Famciclovir","DrugType":"small molecule","HalfLife":"10 hours","Description":"Famciclovir is a guanine analogue antiviral drug used for the treatment of various herpes virus infections, most commonly for herpes zoster (shingles). It is a prodrug form of penciclovir with improved oral bioavailability. Famciclovir is marketed under the trade name Famvir (Novartis).\r\n\r\n","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For the treatment of acute herpes zoster (shingles). Also for the treatment or suppression of recurrent genital herpes in immunocompetent patients and treatment of recurrent mucocutaneous herpes simplex infections in HIV infected patients.","Toxicity":"Symptoms of overdose include constipation, diarrhea, dizziness, fatigue, fever, headache, nausea, and vomiting.","MechanismOfAction":"Famciclovir undergoes rapid biotransformation to the active antiviral compound penciclovir, which has inhibitory activity against herpes simplex virus types 1 (HSV-1) and 2 (HSV-2) and varicella zoster virus (VZV). In cells infected with HSV-1, HSV-2 or VZV, viral thymidine kinase phosphorylates penciclovir to a monophosphate form that, in turn, is converted to penciclovir triphosphate by cellular kinases. In vitro studies demonstrate that penciclovir triphosphate inhibits HSV-2 DNA polymerase competitively with deoxyguanosine triphosphate. Consequently, herpes viral DNA synthesis and, therefore, replication are selectively inhibited.","Pharmacodynamics":"Famciclovir is a prodrug that undergoes rapid biotransformation to the active antiviral compound penciclovir. Penciclovir is an anti-viral drug which has inhibitory activity against herpes simplex virus types 1 (HSV-1) and 2 (HSV-2) and varicella zoster virus (VZV). Therefore, herpes viral DNA synthesis and replication are selectively inhibited.","Absorption":"77 %","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00427","Name":"Triprolidine","DrugType":"small molecule","HalfLife":"4 to 6 hours.","Description":"First generation histamine H1 antagonist used in allergic rhinitis; asthma; and urticaria. It is a component of cough and cold medicines. It may cause drowsiness. [PubChem]","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"For the symptomatic relief of seasonal or perennial allergic rhinitis or nonallergic rhinitis; allergic conjunctivitis; and mild, uncomplicated allergic skin manifestations of urticaria and angioedema. Also used in combination with other agents for the symptomatic relief of symptoms associated with the common cold.","Toxicity":"Symptoms of overdose include drowsiness, weakness, inco-ordination, difficulty with micturition, respiratory depression, hypotension, agitation, irritability, convulsions, hypertension, palpitation and tachycardia.","MechanismOfAction":"Triprolidine binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"In allergic reactions an allergen interacts with and cross-links surface IgE antibodies on mast cells and basophils. Once the mast cell-antibody-antigen complex is formed, a complex series of events occurs that eventually leads to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H1-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Triprolidine, is a histamine H1 antagonist that competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies. Triprolidine has anticholinergic and sedative effects.","Absorption":"Rapidly absorbed in the intestinal tract.","Interactions":[{"ID":"DB00819"},{"ID":"DB01063"},{"ID":"DB00802"},{"ID":"DB01246"},{"ID":"DB00404"},{"ID":"DB00321"},{"ID":"DB01351"},{"ID":"DB00543"},{"ID":"DB01238"},{"ID":"DB00289"},{"ID":"DB00572"},{"ID":"DB00972"},{"ID":"DB00181"},{"ID":"DB00245"},{"ID":"DB00865"},{"ID":"DB00810"},{"ID":"DB01558"},{"ID":"DB01237"},{"ID":"DB00835"},{"ID":"DB00921"},{"ID":"DB01156"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00611"},{"ID":"DB00564"},{"ID":"DB00748"},{"ID":"DB00395"},{"ID":"DB01563"},{"ID":"DB00475"},{"ID":"DB01114"},{"ID":"DB00856"},{"ID":"DB00477"},{"ID":"DB00356"},{"ID":"DB00215"},{"ID":"DB00283"},{"ID":"DB00771"},{"ID":"DB00349"},{"ID":"DB01242"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00363"},{"ID":"DB00318"},{"ID":"DB01176"},{"ID":"DB00924"},{"ID":"DB00979"},{"ID":"DB00434"},{"ID":"DB01219"},{"ID":"DB00496"},{"ID":"DB01151"},{"ID":"DB00967"},{"ID":"DB00405"},{"ID":"DB01576"},{"ID":"DB00647"},{"ID":"DB01209"},{"ID":"DB00829"},{"ID":"DB00804"},{"ID":"DB01551"},{"ID":"DB00985"},{"ID":"DB01075"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00366"},{"ID":"DB00450"},{"ID":"DB00476"},{"ID":"DB00494"},{"ID":"DB01175"},{"ID":"DB01215"},{"ID":"DB00402"},{"ID":"DB00898"},{"ID":"DB00593"},{"ID":"DB00754"},{"ID":"DB00949"},{"ID":"DB00813"},{"ID":"DB00950"},{"ID":"DB01148"},{"ID":"DB04841"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00623"},{"ID":"DB00690"},{"ID":"DB00176"},{"ID":"DB01320"},{"ID":"DB00996"},{"ID":"DB00674"},{"ID":"DB01437"},{"ID":"DB00986"},{"ID":"DB00502"},{"ID":"DB00725"},{"ID":"DB00956"},{"ID":"DB00327"},{"ID":"DB00557"},{"ID":"DB00424"},{"ID":"DB00458"},{"ID":"DB00332"},{"ID":"DB01247"},{"ID":"DB00920"},{"ID":"DB00555"},{"ID":"DB01202"},{"ID":"DB00854"},{"ID":"DB01255"},{"ID":"DB00455"},{"ID":"DB00186"},{"ID":"DB00408"},{"ID":"DB00653"},{"ID":"DB00934"},{"ID":"DB00737"},{"ID":"DB04843"},{"ID":"DB00933"},{"ID":"DB00660"},{"ID":"DB00333"},{"ID":"DB01577"},{"ID":"DB00940"},{"ID":"DB00423"},{"ID":"DB00474"},{"ID":"DB05246"},{"ID":"DB00462"},{"ID":"DB00683"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB01618"},{"ID":"DB00295"},{"ID":"DB00486"},{"ID":"DB00844"},{"ID":"DB01149"},{"ID":"DB00540"},{"ID":"DB00334"},{"ID":"DB01173"},{"ID":"DB00842"},{"ID":"DB01062"},{"ID":"DB00497"},{"ID":"DB01192"},{"ID":"DB01267"},{"ID":"DB00715"},{"ID":"DB00652"},{"ID":"DB00312"},{"ID":"DB00850"},{"ID":"DB00454"},{"ID":"DB01579"},{"ID":"DB00780"},{"ID":"DB01619"},{"ID":"DB01174"},{"ID":"DB00191"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB01621"},{"ID":"DB06153"},{"ID":"DB00413"},{"ID":"DB01278"},{"ID":"DB01588"},{"ID":"DB00230"},{"ID":"DB00794"},{"ID":"DB00433"},{"ID":"DB00387"},{"ID":"DB01069"},{"ID":"DB00782"},{"ID":"DB00344"},{"ID":"DB01589"},{"ID":"DB01224"},{"ID":"DB00980"},{"ID":"DB00899"},{"ID":"DB00206"},{"ID":"DB00734"},{"ID":"DB05271"},{"ID":"DB00747"},{"ID":"DB00418"},{"ID":"DB01104"},{"ID":"DB01591"},{"ID":"DB00708"},{"ID":"DB00382"},{"ID":"DB00231"},{"ID":"DB04844"},{"ID":"DB01041"},{"ID":"DB00599"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00906"},{"ID":"DB01409"},{"ID":"DB00697"},{"ID":"DB00323"},{"ID":"DB01036"},{"ID":"DB00273"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00831"},{"ID":"DB00376"},{"ID":"DB00347"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB01080"},{"ID":"DB00962"},{"ID":"DB06283"},{"ID":"DB00246"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000623","Name":"Triprolidine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00428","Name":"Streptozocin","DrugType":"small molecule","HalfLife":"5-15 minutes","Description":"An antibiotic that is produced by Stretomyces achromogenes. It is used as an antineoplastic agent and to induce diabetes in experimental animals. [PubChem]","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For the treatment of malignant neoplasms of pancreas (metastatic islet cell carcinoma).","Toxicity":"Symptoms of overdose include nausea and vomiting, anorexia, myelosuppression; and nephrotoxicity.","MechanismOfAction":"Although its mechanism of action is not completely clear, streptozocin is known to inhibit DNA synthesis, interfere with biochemical reactions of NAD and NADH, and inhibit some enzymes involved in gluconeogenesis. Its activity appears to occur as a result of formation of methylcarbonium ions, which alkylate or bind with many intracellular molecular structures including nucleic acids. Its cytotoxic action is probably due to cross-linking of strands of DNA, resulting in inhibition of DNA synthesis.","Pharmacodynamics":"Streptozocin is an antitumour antibiotic consisting of a nitrosourea moiety interposed between a methyl group and a glucosamine. Streptozocin is indicated in the treatment of metastatic islet cell carcinoma of the pancreas. Streptozocin inhibits DNA synthesis in bacterial and mammalian cells. In bacterial cells, a specific interaction with cytosine moieties leads to degradation of DNA. The biochemical mechanism leading to mammalian cell death has not been definitely established; streptozocin inhibits cell proliferation at a considerably lower level than that needed to inhibit precursor incorporation into DNA or to inhibit several of the enzymes involved in DNA synthesis. Although streptozocin inhibits the progression of cells into mitosis, no specific phase of the cell cycle is particularly sensitive to its lethal effects.","Absorption":"Poor oral absorption (17-25%)","Interactions":[{"ID":"DB06769"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00429","Name":"Carboprost Tromethamine","DrugType":"small molecule","HalfLife":"","Description":"A nonsteroidal abortifacient agent that is effective in both the first and second trimesters of pregnancy. [PubChem]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For aborting pregnancy between the 13th and 20th weeks of gestation as calculated from the first day of the last normal menstrual period and in the following conditions related to second trimester abortion: 1. Failure of expulsion of the fetus during the course of treatment by another method; 2. Premature rupture of membranes in intrauterine methods with loss of drug and insufficient or absent uterine activity; 3. Requirement of a repeat intrauterine instillation of drug for expulsion of the fetus; 4. Inadvertent or spontaneous rupture of membranes in the presence of a previable fetus and absence of adequate activity for expulsion. Also for the treatment of postpartum hemorrhage due to uterine atony which has not responded to conventional methods of management.","Toxicity":"Symptoms of overdose include irritation, nausea, vomiting, diarrhea, coughing, dyspnea, asthma, hypertension, flushing, and pyrexia.","MechanismOfAction":"Carboprost is a synthetic prostaglandin. It binds the prostaglandin E2 receptor, causing myometrial contractions, casuing the induction of labour or the expulsion of the placenta. Prostaglandins occur naturally in the body and act at several sites in the body including the womb (uterus). They act on the muscles of the womb, causing them to contract.","Pharmacodynamics":"Carboprost tromethamine administered intramuscularly stimulates in the gravid uterus myometrial contractions similar to labor contractions at the end of a full term pregnancy. Whether or not these contractions result from a direct effect of carboprost on the myome-trium has not been determined. Nonetheless, they evacuate the products of conception from the uterus in most cases. Postpartum, the resultant myometrial contractions provide hemostasis at the site of placentation. Carboprost tromethamine also stimulates the smooth muscle of the human gastrointestinal tract. This activity may produce the vomiting or diarrhea or both that is common when carbo-prost tromethamine is used to terminate pregnancy and for use postpartum. In laboratory animals and also in humans carboprost tromethamine can elevate body temperature. With the clinical doses of carboprost trometh-amine used for the termination of pregnancy, and for use postpartum, some patients do experience transient temperature increases. In laboratory animals and in humans large doses of carboprost tromethamine can raise blood pressure, probably by contracting the vascular smooth muscle. With the doses of carboprost tromethamine used for terminating pregnancy, this effect has not been clinically significant. In laboratory animals and also in humans carboprost tromethamine can elevate body temperature. With the clinical doses of carboprost tromethamine used for the termination of pregnancy, some patients do experience temperature increases. In some patients, carboprost tromethamine may cause transient bronchoconstriction.","Absorption":"","Interactions":[{"ID":"DB00107"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00430","Name":"Cefpiramide","DrugType":"small molecule","HalfLife":"4.44 hours","Description":"Cefpiramide is a third-generation cephalosporin antibiotic. ","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For treatment of severe infections caused by susceptible bacteria such as P. aeruginosa.","Toxicity":"Adverse effects following overdosage include nausea, vomiting, epigastric distress, diarrhea, and convulsions.","MechanismOfAction":"The bactericidal activity of cefpiramide results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs).","Pharmacodynamics":"Cefpiramide is a cephalosporin active against \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e. It has a broad spectrum of antibacterial activity. Cefpiramide works by inhibiting bacterial cell wall biosynthesis. The plasma half-lives of cefpiramide in rabbits, dogs, and rhesus monkeys were much longer than those of cefoperazone and cefazolin.","Absorption":"Rapidly absorbed following intramuscular injection.","Interactions":null,"Salts":[{"ID":"DBSALT000624","Name":"Cefpiramide Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00431","Name":"Lindane","DrugType":"small molecule","HalfLife":"18 hours","Description":"An organochlorine insecticide that has been used as a pediculicide and a scabicide. Lindane has been banned in California, United Kingdom, Australia, and many western countries due to concerns about neurotoxicity and adverse effects on the environment. In Canada, Lindane is not recommmended as a first-line therapy due to reports of resistance, neurotoxicity, and bone marrow suppression, but has been approved by the FDA as a second-line therapy for topical treatment of pediculosis capitis (head lice), pediculosis pubis (pubic lice), or scabies in patients greater than two years of age who cannot tolerate or have failed first-line treatment. Lindane is still allowed for pharmaceutical use until 2015. ","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For the treatment of patients infested with Sarcoptes scabiei or pediculosis capitis who have either failed to respond to adequate doses, or are intolerant of other approved therapies.","Toxicity":"Lindane is a moderately toxic compound via oral exposure, with a reported oral LD\u003csub\u003e50\u003c/sub\u003e of 88 to 190 mg/kg in rats. Gamma-HCH (which constitutes 99% of lindane) is generally considered to be the most acutely toxic of the isomers following single administration. It is moderately toxic via the dermal route as well, with reported dermal LD\u003csub\u003e50\u003c/sub\u003e values of 500 to 1000 mg/kg in rats, 300 mg/kg in mice, 400 mg/kg in guinea pigs, and 300 mg/kg in rabbits. Acute exposure to lindane may lead to central nervous system stimulation (usually developing within 1 hour), mental/motor impairment, excitation, clonic (intermittent) and tonic (continuous) convulsion. Other adverse reactions include central nervous system toxicity, as well as skin and gastrointestinal changes.","MechanismOfAction":"Lindane is an organochloride insecticide that has similar neurotoxic protperties to DDT. It exerts its parasiticidal action by being directly absorbed through the parasite's exoskeleton (primarily lice, or scabies) and their ova. The gamma-aminobutyric acid (GABA(1)) receptor/chloride ionophore complex is the primary site of action for lindane, and other insecticides such as endosulfan, and fipronil. Blockage of the GABA-gated chloride channel reduces neuronal inhibition, which leads to hyperexcitation of the central nervous system. This results in paralysis, convulsions, and death. Lindane has very low ovicidal activity.","Pharmacodynamics":"Scabies is a common, highly pruritic infestation of the skin caused by Sarcoptes scabiei (lice). It is a very contagious condition with specific lesions, such as burrows, and nonspecific lesions, such as papules, vesicles and excoriations. The typical areas of the body it affects are finger webs, scalp (hair), wrists, axillary folds, abdomen, buttocks, inframammary folds and genitalia (males). It is characterized by intense night-time itching. Scabies is spread through close personal contact (relatives, sexual partners, schoolchildren, chronically ill patients and crowded communities). Scabies infestations and the corresponding symptoms can be eliminated by killing the scabies with topical insecticides or scabicides. Lindane is a scabicide that is essentially an organochloride insecticide.","Absorption":"Lindane is absorbed significantly through the skin. A mean peak blood concentration of 28 nanograms per mL occurred in infants and children 6 hours after total body application of lindane lotion for scabies.","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00432","Name":"Trifluridine","DrugType":"small molecule","HalfLife":"Approximately 12 to 18 minutes following ophthalmic administration.","Description":"An antiviral derivative of thymidine used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis due to herpes simplex virus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p557)","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Ophthalmic solution for the treatment of primay keratoconjunctivitis and recurrent epithelial keratitis due to herpes simplex virus, types 1 and 2.","Toxicity":"Overdosage by ocular instillation is unlikely because any excess solution should be quickly expelled from the conjunctival sac. Acute overdosage by accidental oral ingestion has not occurred. However, should such ingestion occur, the 75 mg dosage of trifluridine in a 7.5 mL bottle of trifluridine is not likely to produce adverse effects. Single intravenous doses of 1.5 to 30 mg/kg/day in children and adults with neoplastic disease produce reversible bone marrow depression as the only potentially serious toxic effect and only after three to five courses of therapy. The acute oral LD\u003csub\u003e50\u003c/sub\u003e in the mouse and rat was 4379 mg/kg or higher.","MechanismOfAction":"The mechanism of action of trifluridine has not been fully determined, but appears to involve the inhibition of viral replication. Trifluridine does this by incorporating into viral DNA during replication, which leads to the formation of defective proteins and an increased mutation rate. This drug also reversibly inhibits thymidylate synthetase, an enzyme that is necessary for DNA synthesis.","Pharmacodynamics":"Trifluridine is a fluorinated pyrimidine nucleoside with in vitro and in vivo activity against herpes simplex virus, types 1 and 2 and vacciniavirus. Some strains of adenovirus are also inhibited in vitro. Trifluridine is also effective in the treatment of epithelial keratitis that has not responded clinically to the topical administration of idoxuridine or when ocular toxicity or hypersensitivity to idoxuridine has occurred. In a smaller number of patients found to be resistant to topical vidarabine, trifluridine was also effective. Trifluridine interferes with DNA synthesis in cultured mammalian cells. However, its antiviral mechanism of action is not completely known.","Absorption":"Systemic absorption of trifluridine following therapeutic dosing with trifluridine ophthalmic appears to be negligible.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00433","Name":"Prochlorperazine","DrugType":"small molecule","HalfLife":"6 to 8 hours","Description":"A phenothiazine antipsychotic used principally in the treatment of nausea; vomiting; and vertigo. It is more likely than chlorpromazine to cause extrapyramidal disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612)","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the symptomatic management of psychotic disorders, short term management of nonpsychotic anxiety in patients with generalized anxiety disorder, and for the control of severe nausea and vomiting of various causes.","Toxicity":"Symptoms of central nervous system depression to the point of somnolence or coma. Agitation and restlessness may also occur. Other possible manifestations include convulsions, EKG changes and cardiac arrhythmias, fever and autonomic reactions such as hypotension, dry mouth and ileus; LD\u003csub\u003e50\u003c/sub\u003e=400mg/kg (orally in mice)","MechanismOfAction":"The mechanism of action of prochlorperazine has not been fully determined, but may be primarily related to its antidopaminergic effects. Prochlorperazine blocks the D2 somatodendritic autoreceptor, resulting in the blockade of postsynaptic dopamine receptors in the mesolimbic system and an increased dopamine turnover. Prochlorperazine also has anti-emetic effects, which can be attributed to dopamine blockade in the chemoreceptor trigger zone. Prochlorperazine also blocks anticholinergic and alpha-adrenergic receptors, the blockade of alpha(1)-adrenergic receptors resulting in sedation, muscle relaxation, and hypotension.","Pharmacodynamics":"Prochlorperazine is a piperazine phenothiazine related to high-potency neuroleptics such as perphenazine. It shares many of the actions and adverse effects of the antipsychotics.","Absorption":"Rapidly absorbed following oral administration","Interactions":[{"ID":"DB00182"},{"ID":"DB00865"},{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB00579"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00989"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000999","Name":"Prochlorperazine edisylate"},{"ID":"DBSALT000998","Name":"Prochlorperazine maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00434","Name":"Cyproheptadine","DrugType":"small molecule","HalfLife":"","Description":"A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc. [PubChem]","Classification":{"Description":"This compound belongs to the dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring.","DirectParent":"Dibenzocycloheptenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Dibenzocycloheptenes","SubClass":""},"Indication":"For treatment of perennial and seasonal allergic rhinitis, vasomotor rhinitis, allergic conjunctivitis due to inhalant allergens and foods, mild uncomplicated allergic skin manifestations of urticaria and angioedema, amelioration of allergic reactions to blood or plasma, cold urticaria, dermatographism, and as therapy for anaphylactic reactions adjunctive to epinephrine.","Toxicity":"","MechanismOfAction":"Cyproheptadine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Cyproheptadine also competes with serotonin at receptor sites in smooth muscle in the intestines and other locations. Antagonism of serotonin on the appetite center of the hypothalamus may account for Cyproheptadine's ability to stimulate appetite.","Pharmacodynamics":"Cyproheptadine is a piperidine antihistamine. Unlike other antihistamines, this drug also antagonizes serotonin receptors. This action makes Cyproheptadine useful in conditions such as vascular headache and anorexia. Cyproheptadine does not prevent the release of histamine but rather competes with free histamine for binding at HA-receptor sites. Cyproheptadine competitively antagonizes the effects of histamine on HA-receptors in the GI tract, uterus, large blood vessels, and bronchial smooth muscle. Most antihistamines possess significant anticholinergic properties, but Cyproheptadine exerts only weak anticholinergic actions. Blockade of central muscarinic receptors appears to account for Cyproheptadine's antiemetic effects, although the exact mechanism is unknown. Cyproheptadine also competes with serotonin at receptor sites in smooth muscle in the intestines and other locations. Antagonism of serotonin on the appetite center of the hypothalamus may account for Cyproheptadine's ability to stimulate appetite. Cyproheptadine also has been used to counter vascular headaches, which many believe are caused by changes in serotonin activity, however it is unclear how Cyproheptadine exerts a beneficial effect on this condition.","Absorption":"Well absorbed after oral administration.","Interactions":[{"ID":"DB00843"},{"ID":"DB00472"},{"ID":"DB00674"},{"ID":"DB01011"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000625","Name":"Cyproheptadine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00435","Name":"Nitric Oxide","DrugType":"small molecule","HalfLife":"2\u0026ndash;6 seconds","Description":"Nitric oxide or Nitrogen monoxide is a chemical compound with chemical formula NO. This gas is an important signaling molecule in the body of mammals including humans and is an extremely important intermediate in the chemical industry. It is also a toxic air pollutant produced by automobile engines and power plants.\r\n\r\nNitric oxide (NO) should not be confused with nitrous oxide (N2O), a general anaesthetic, or with nitrogen dioxide (NO2) which is another poisonous air pollutant.\r\n\r\nThe nitric oxide molecule is a free radical, which is relevant to understanding its high reactivity. It reacts with the ozone in air to form nitrogen dioxide, signalled by the appearance of the reddish-brown color.","Classification":{"Description":"This compound belongs to the other non-metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of 'other non-metals'.","DirectParent":"Other Non-metal Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Other Non-metal Organides","SubClass":"Other Non-metal Oxides"},"Indication":"For the treatment of term and near-term (\u0026gt;34 weeks) neonates with hypoxic respiratory failure","Toxicity":"","MechanismOfAction":"Nitric oxide is a compound produced by many cells of the body. It relaxes vascular smooth muscle by binding to the heme moiety of cytosolic guanylate cyclase, activating guanylate cyclase and increasing intracellular levels of cyclic guanosine 3',5'-monophosphate, which then leads to vasodilation. When inhaled, nitric oxide produces pulmonary vasodilation.","Pharmacodynamics":"Persistent pulmonary hypertension of the newborn (PPHN) occurs as a primary developmental defect or as a condition secondary to other diseases such as meconium aspiration syndrome (MAS), pneumonia, sepsis, hyaline membrane disease, congenital diaphragmatic hernia (CDH), and pulmonary hypoplasia. In these states, pulmonary vascular resistance (PVR) is high, which results in hypoxemia secondary to right-to-left shunting of blood through the patent ductus arteriosus and foramen ovale. In neonates with PPHN, Nitric oxide improves oxygenation (as indicated by significant increases in PaO2). Nitric oxide appears to increase the partial pressure of arterial oxygen (PaO2) by dilating pulmonary vessels in better entilated areas of the lung, redistributing pulmonary blood flow away from lung regions with low ventilation/perfusion (V/Q) ratios toward regions with normal ratios.","Absorption":"Nitric oxide is absorbed systemically after inhalation.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00436","Name":"Bendroflumethiazide","DrugType":"small molecule","HalfLife":"8.5 hours","Description":"A thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. It has been used in the treatment of familial hyperkalemia, hypertension, edema, and urinary tract disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p810)","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"For the treatment of high blood pressure and management of edema related to heart failure.","Toxicity":"","MechanismOfAction":"As a diuretic, bendroflumethiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like bendroflumethiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of bendroflumethiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle.","Pharmacodynamics":"Bendroflumethiazide, a thiazide diuretic, removes excess water from the body by increasing how often you urinate (pass water) and also widens the blood vessels which helps to reduce blood pressure. It inhibits Na\u003csup\u003e+\u003c/sup\u003e/Cl\u003csup\u003e-\u003c/sup\u003e reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue.","Absorption":"Absorbed relatively rapidly after oral administration","Interactions":[{"ID":"DB01078"},{"ID":"DB01119"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00204"},{"ID":"DB01356"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00090","Drugs":["DB00151","DB00436","DB01345","DB03904"]}]},{"ID":"DB00437","Name":"Allopurinol","DrugType":"small molecule","HalfLife":"1-3 hours","Description":"A xanthine oxidase inhibitor that decreases uric acid production. It also acts as an antimetabolite on some simpler organisms. [PubChem]","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"For the treatment of hyperuricemia associated with primary or secondary gout. Also indicated for the treatment of primary or secondary uric acid nephropathy, with or without the symptoms of gout, as well as chemotherapy-induced hyperuricemia and recurrent renal calculi.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=214 mg/kg (in mice)","MechanismOfAction":"Allopurinol and its active metabolite, oxypurinol, inhibits the enzyme xanthine oxidase, blocking the conversion of the oxypurines hypoxanthine and xanthine to uric acid. Elevated concentrations of oxypurine and oxypurine inhibition of xanthine oxidase through negative feedback results in a decrease in the concentrations of uric acid in the serum and urine. Allopurinol also facilitates the incorporation of hypoxanthine and xanthine into DNA and RNA, leading to a feedback inhibition of de novo purin synthesis and a decrease in serum uric acid concentrations as a result of an increase in nucleotide concentration.","Pharmacodynamics":"Allopurinol, a structural analog of the natural purine base hypoxanthine, is used to prevent gout and renal calculi due to either uric acid or calcium oxalate and to treat uric acid nephropathy, hyperuricemia, and some solid tumors.","Absorption":"Approximately 80-90% absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00993"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB01033"},{"ID":"DB00519"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000350","Name":"Allopurinol Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00438","Name":"Ceftazidime","DrugType":"small molecule","HalfLife":"Half-life, following IV administration, is approximately 1.9-hours. Since ceftazidime is eliminated almost solely by the kidneys, its serum half-life is significantly prolonged in patients with impaired renal function.","Description":"Semisynthetic, broad-spectrum antibacterial derived from cephaloridine and used especially for Pseudomonas and other gram-negative infections in debilitated patients. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of patients with infections caused by susceptible strains of organisms in the following diseases: lower respiratory tract infections,skin and skin structure infections, urinary tract infections, bacterial septicemia, bone and joint infections, gynecologic infections, intra abdominal infections (including peritonitis), and central nervous system infections (including meningitis).","Toxicity":"Ceftazidime overdosage has occurred in patients with renal failure. Reactions have included seizure activity, encephalopathy, asterixis, neuromuscular excitability, and coma.","MechanismOfAction":"The bactericidal activity of ceftazidime results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs).","Pharmacodynamics":"Ceftazidime is a semisynthetic, broad-spectrum, beta-lactam antibiotic for parenteral administration. Ceftazidime is bactericidal in action exerting its effect by inhibition of enzymes responsible for cell-wall synthesis, primarily penicillin binding protein 3 (PBP3). A wide range of gram-negative organisms is susceptible to ceftazidime in vitro, including strains resistant to gentamicin and other aminoglycosides. In addition, ceftazidime has been shown to be active against gram-positive organisms. It is highly stable to most clinically important beta-lactamases, plasmid or chromosomal, which are produced by both gram-negative and gram-positive organisms and, consequently, is active against many strains resistant to ampicillin and other cephalosporins. Ceftazidime has activity against the gram-negative organisms \u003ci\u003ePseudomonas\u003c/i\u003e and \u003ci\u003eEnterobacteriaceae\u003c/i\u003e. Its activity against \u003ci\u003ePseudomonas\u003c/i\u003e is a distinguishing feature of ceftazidime among the cephalosporins.","Absorption":"The absorption of ceftazidime is directly proportional to the size of the dose.","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB01172"},{"ID":"DB00994"},{"ID":"DB00955"},{"ID":"DB01082"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT001024","Name":"Ceftazidime pentahydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00439","Name":"Cerivastatin","DrugType":"small molecule","HalfLife":"2-3 hours","Description":"On August 8, 2001 the U.S. Food and Drug Administration (FDA) announced that Bayer Pharmaceutical Division voluntarily withdrew Baycol from the U.S. market, due to reports of fatal Rhabdomyolysis, a severe adverse reaction from this cholesterol-lowering (lipid-lowering) product. It has also been withdrawn from the Canadian market.","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"Used as an adjunct to diet for the reduction of elevated total and LDL cholesterol levels in patients with primary hypercholesterolemia and mixed dyslipidemia (Fredrickson Types IIa and IIb) when the response to dietary restriction of saturated fat and cholesterol and other non-pharmacological measures alone has been inadequate.","Toxicity":"Rhabdomyolysis, liver concerns","MechanismOfAction":"Cerivastatin competitively inhibits hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase, the hepatic enzyme responsible for converting HMG-CoA to mevalonate. As mevalonate is a precursor of sterols such as cholesterol, this results in a decrease in cholesterol in hepatic cells, upregulation of LDL-receptors, and an increase in hepatic uptake of LDL-cholesterol from the circulation.","Pharmacodynamics":"Cerivastatin, a competitive HMG-CoA reductase inhibitor effective in lowering LDL cholesterol and triglycerides, is used to treat primary hypercholesterolemia and mixed dyslipidemia (Fredrickson types IIa and IIb).","Absorption":"The mean absolute oral bioavailability 60% (range 39 - 101%).","Interactions":[{"ID":"DB01393"},{"ID":"DB00559"},{"ID":"DB01211"},{"ID":"DB01394"},{"ID":"DB00091"},{"ID":"DB00343"},{"ID":"DB00199"},{"ID":"DB01039"},{"ID":"DB01241"},{"ID":"DB00619"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB01149"},{"ID":"DB01369"},{"ID":"DB00615"},{"ID":"DB01045"}],"Salts":[{"ID":"DBSALT000330","Name":"Cerivastatin sodium"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00440","Name":"Trimethoprim","DrugType":"small molecule","HalfLife":"8-11 hours in adults with normal renal function","Description":"A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to pyrimethamine. The interference with folic acid metabolism may cause a depression of hematopoiesis. It is potentiated by sulfonamides and the trimethoprim-sulfamethoxazole combination is the form most often used. It is sometimes used alone as an antimalarial. Trimethoprim resistance has been reported. [PubChem]","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the treatment of urinary tract infections, uncomplicated pyelonephritis (with sulfamethoxazole) and mild acute prostatitis. May be used as pericoital (with sulfamethoxazole) or continuous prophylaxis in females with recurrent cystitis. May be used as an alternative to treat asymptomatic bacteriuria during pregnancy (only before the last 6 weeks of pregnancy). Other uses include: alternative agent in respiratory tract infections (otitis, sinusitus, bronchitis and pneumonia), treatment of Pneumocystis jirovecii pneumonia (acute or prophylaxis), Nocardia infections, and traveller's diarrhea.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=4850 (orally in mice)","MechanismOfAction":"Trimethoprim binds to dihydrofolate reductase and inhibits the reduction of dihydrofolic acid (DHF) to tetrahydrofolic acid (THF). THF is an essential precursor in the thymidine synthesis pathway and interference with this pathway inhibits bacterial DNA synthesis. Trimethoprim's affinity for bacterial dihydrofolate reductase is several thousand times greater than its affinity for human dihydrofolate reductase. Sulfamethoxazole inhibits dihydrofolate synthetase (aka dihydropteroate synthetase), an enzyme involved further upstream in the same pathway. Trimethoprim and sulfamethoxazole are commonly used in combination due to their synergistic effects. This drug combination also reduces the development of resistance that is seen when either drug is used alone.","Pharmacodynamics":"Trimethoprim is a pyrimidine analogue that disrupts folate synthesis, an essential part of the thymidine synthesis pathway. Inhibition of the enzyme starves the bacteria of nucleotides necessary for DNA replication.The drug, therefore, exhibits bactericidal activity.","Absorption":"Readily and almost completely absorbed in the GI tract with peak serum concentrations attained 1-4 hours after oral administration. Widely distributed to tissues and fluids including kidney, lung, seminal fluid, aqueous humour, middle ear fluid, sputum, vaginal secretions, bile, bone and CSF. ","Interactions":[{"ID":"DB01101"},{"ID":"DB00250"},{"ID":"DB00705"},{"ID":"DB00204"},{"ID":"DB00322"},{"ID":"DB00196"},{"ID":"DB00544"},{"ID":"DB00712"},{"ID":"DB01320"},{"ID":"DB01241"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01026"},{"ID":"DB00650"},{"ID":"DB00784"},{"ID":"DB00563"},{"ID":"DB01110"},{"ID":"DB00622"},{"ID":"DB00252"},{"ID":"DB00554"},{"ID":"DB01035"},{"ID":"DB01045"},{"ID":"DB06268"},{"ID":"DB00359"},{"ID":"DB00263"},{"ID":"DB00684"},{"ID":"DB01124"},{"ID":"DB00519"},{"ID":"DB00755"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00441","Name":"Gemcitabine","DrugType":"small molecule","HalfLife":"Gemcitabine half-life for short infusions ranged from 42 to 94 minutes, and the value for long infusions varied from 245 to 638 minutes, depending on age and gender, reflecting a greatly increased volume of distribution with longer infusions.","Description":"Gemcitabine is a nucleoside analog used as chemotherapy. It is marketed as Gemzar® by Eli Lilly and Company. As with fluorouracil and other analogues of pyrimidines, the drug replaces one of the building blocks of nucleic acids, in this case cytidine, during DNA replication. The process arrests tumor growth, as new nucleosides cannot be attached to the \"faulty\" nucleoside, resulting in apoptosis (cellular \"suicide\").\r\nGemcitabine is used in various carcinomas: non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. It is being investigated for use in oesophageal cancer, and is used experimentally in lymphomas and various other tumor types.","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Gemcitabine is indicated for the treatment of advanced ovarian cancer that has relapsed at least 6 months after completion of platinum-based therapy; metastatic ovarian cancer; inoperable, locally advanced (Stage IIIA or IIIB), or metastatic (Stage IV) non-small cell lung cancer; and locally advanced (nonresectable Stage II or Stage III) or metastatic (Stage IV) adenocarcinoma of the pancreas. ","Toxicity":"Myelosuppression, paresthesias, and severe rash were the principal toxicities, LD\u003csub\u003e50\u003c/sub\u003e=500 mg/kg (orally in mice and rats)","MechanismOfAction":"Gemcitabine inhibits thymidylate synthetase, leading to inhibition of DNA synthesis and cell death. Gemcitabine is a prodrug so activity occurs as a result of intracellular conversion to two active metabolites, gemcitabine diphosphate and gemcitabine triphosphate by deoxycitidine kinase. Gemcitabine diphosphate also inhibits ribonucleotide reductase, the enzyme responsible for catalyzing synthesis of deoxynucleoside triphosphates required for DNA synthesis. Finally, Gemcitabine triphosphate (diflurorodeoxycytidine triphosphate) competes with endogenous deoxynucleoside triphosphates for incorporation into DNA.","Pharmacodynamics":"Gemcitabine is an antineoplastic anti-metabolite. Anti-metabolites masquerade as purine or pyrimidine - which become the building blocks of DNA. They prevent these substances becoming incorporated in to DNA during the \"S\" phase (or DNA synthesis phase of the cell cycle), stopping normal development and division. Gemcitabine blocks an enzyme which converts the cytosine nucleotide into the deoxy derivative. In addition, DNA synthesis is further inhibited because Gemcitabine blocks the incorporation of the thymidine nucleotide into the DNA strand. It demonstrates dose-dependent synergistic activity with cisplatin in vitro. In vivo, gemcitabine showed activity in combination with cisplatin against the LX-1 and CALU-6 human lung xenografts, but minimal activity was seen with the NCI-H460 or NCI-H520 xenografts. Gemcitabine was synergistic with cisplatin in the Lewis lung murine xenograft. Sequential exposure to gemcitabine 4 hours before cisplatin produced the greatest interaction.","Absorption":"The pharmacokinetics of gemcitabine are described by a 2-compartment model. ","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00006"},{"ID":"DB00266"},{"ID":"DB01229"},{"ID":"DB06287"},{"ID":"DB00072"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000092","Name":"Gemcitabine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00603","Drugs":["DB00441","DB01593"]},{"ID":"SMP00446","Drugs":["DB00441","DB01593"]}]},{"ID":"DB00442","Name":"Entecavir","DrugType":"small molecule","HalfLife":"After reaching peak concentration, entecavir plasma concentrations decreased in a bi-exponential manner with a terminal elimination half-life of approximately 128-149 hours. The phosphorylated metabolite has a half-life of 15 hours.","Description":"Entecavir is an oral antiviral drug used in the treatment of hepatitis B infection. It is marketed under the trade name Baraclude (BMS).\r\n\r\nEntecavir is a guanine analogue that inhibits all three steps in the viral replication process, and the manufacturer claims that it is more efficacious than previous agents used to treat hepatitis B (lamivudine and adefovir). It was approved by the U.S. Food and Drug Administration (FDA) in March 2005.","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of chronic hepatitis B virus infection in adults with evidence of active viral replication and either evidence of persistent elevations in serum aminotransferases (ALT or AST) or histologically active disease.","Toxicity":"Healthy subjects who received single entecavir doses up to 40 mg or multiple doses up to 20 mg/day for up to 14 days had no increase in or unexpected adverse events. If overdose occurs, the patient must be monitored for evidence of toxicity, and standard supportive treatment applied as necessary.","MechanismOfAction":"By competing with the natural substrate deoxyguanosine triphosphate, entecavir functionally inhibits all three activities of the HBV polymerase (reverse transcriptase, rt): (1) base priming, (2) reverse transcription of the negative strand from the pregenomic messenger RNA, and (3) synthesis of the positive strand of HBV DNA. Upon activation by kinases, the drug can be incorporated into the DNA which has the ultimate effect of inhibiting the HBV polymerase activity.","Pharmacodynamics":"Entecavir is a guanosine nucleoside analogue with selective activity against hepatitis B virus (HBV). It is designed to selectively inhibit the Hepatitis B virus, blocking all three steps in the replication process. Entecavir is more efficient than an older Hepatitis B drug, lamivudine.","Absorption":"Absorption Following oral administration in healthy subjects, entecavir peak plasma concentrations occurred between 0.5 and 1.5 hours. In healthy subjects, the bioavailability of the tablet is 100% relative to the oral solution.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00443","Name":"Betamethasone","DrugType":"small molecule","HalfLife":"5.6 hours","Description":"A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724)","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"\u003cb\u003eTopical use (cream, lotion and ointment):\u003c/b\u003e for relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses\u003cbr/\u003e\u003cb\u003eTopical use (foam):\u003c/b\u003e relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses of the scalp\u003cbr/\u003e\u003cb\u003eSystemic use:\u003c/b\u003e for the treatment of edocrine disorders, rheumatic disorders, collagen diseases, dermatological diseases, allergic states, ophthalmic diseases, respiratory diseases, hematologic disorders, neoplastic diseases, edematous states, gastrointestinal diseases, tuberculous meningitis and trichinosis.","Toxicity":"Symptoms of overdose include burning, itching, irritation, dryness, folliculitis, hypertrichosis, acneiform eruptions, hypopigmentation, perioral dermatitis, allergic contact dermatitis, maceration of the skin, secondary infection, skin atrophy, striae, and miliaria.","MechanismOfAction":"Betamethasone is a glucocorticoid receptor agonist. This leads to changes in genetic expression once this complex binds to the GRE. The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. The immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Betamethasone binds to plasma transcortin, and it becomes active when it is not bound to transcortin.","Pharmacodynamics":"Betamethasone and its derivatives, betamethasone sodium phosphate and betamethasone acetate, are synthetic glucocorticoids. Used for its antiinflammatory or immunosuppressive properties, betamethasone is combined with a mineralocorticoid to manage adrenal insufficiency and is used in the form of betamethasone benzoate, betamethasone dipropionate, or betamethasone valerate for the treatment of inflammation due to corticosteroid-responsive dermatoses. Betamethasone and clotrimazole are used together to treat cutaneous tinea infections.","Absorption":"Minimal if applied topically.","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB01122"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB01294"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB01010"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB05039"},{"ID":"DB01397"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00211"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB01346"},{"ID":"DB01045"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00418"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00072"},{"ID":"DB01401"},{"ID":"DB01339"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000851","Name":"Betamethasone dipropionate"},{"ID":"DBSALT000850","Name":"Betamethasone sodium phosphate"},{"ID":"DBSALT000849","Name":"Betamethasone valerate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00444","Name":"Teniposide","DrugType":"small molecule","HalfLife":"5 hours","Description":"A semisynthetic derivative of podophyllotoxin that exhibits antitumor activity. Teniposide inhibits DNA synthesis by forming a complex with topoisomerase II and DNA. This complex induces breaks in double stranded DNA and prevents repair by topoisomerase II binding. Accumulated breaks in DNA prevent cells from entering into the mitotic phase of the cell cycle, and lead to cell death. Teniposide acts primarily in the G2 and S phases of the cycle. [PubChem]","Classification":{"Description":"This compound belongs to the podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one).","DirectParent":"Podophyllotoxins","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"Lignan Lactones","SubClass":"Podophyllotoxins"},"Indication":"Teniposide is used for the treatment of refractory acute lymphoblastic leukaemia","Toxicity":"","MechanismOfAction":"The mechanism of action appears to be related to the inhibition of type II topoisomerase activity since teniposide does not intercalate into DNA or bind strongly to DNA. Teniposide binds to and inhibits DNA topoisomerase II. The cytotoxic effects of teniposide are related to the relative number of double-stranded DNA breaks produced in cells, which are a reflection of the stabilization of a topoisomerase II-DNA intermediate.","Pharmacodynamics":"Teniposide is a phase-specific cytotoxic drug, acting in the late S or early G 2 phase of the cell cycle, thus preventing cells from entering mitosis. Teniposide causes dose-dependent single- and double-stranded breaks in DNA and DNA: protein cross-links. ","Absorption":"","Interactions":[{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB01110"},{"ID":"DB00108"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01263"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00443","Drugs":["DB00444","DB01373"]},{"ID":"SMP00602","Drugs":["DB00444","DB01373"]}]},{"ID":"DB00445","Name":"Epirubicin","DrugType":"small molecule","HalfLife":"Half-lives for the alpha, beta, and gamma phases of about 3 minutes, 2.5 hours and 33 hours, respectively","Description":"An anthracycline which is the 4\u0026#39;-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA. [PubChem]","Classification":{"Description":"This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.","DirectParent":"Anthracyclines","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Anthracyclines","SubClass":""},"Indication":"For use as a component of adjuvant therapy in patients with evidence of axillary node tumor involvement following resection of primary breast cancer.","Toxicity":"bone marrow aplasia, grade 4 mucositis, and gastrointestinal bleeding","MechanismOfAction":"Epirubicin has antimitotic and cytotoxic activity. It inhibits nucleic acid (DNA and RNA) and protein synthesis through a number of proposed mechanisms of action: Epirubicin forms complexes with DNA by intercalation between base pairs, and it inhibits topoisomerase II activity by stabilizing the DNA-topoisomerase II complex, preventing the religation portion of the ligation-religation reaction that topoisomerase II catalyzes. It also interferes with DNA replication and transcription by inhibiting DNA helicase activity.","Pharmacodynamics":"Epirubicin is an antineoplastic in the anthracycline class. General properties of drugs in this class include: interaction with DNA in a variety of different ways including intercalation (squeezing between the base pairs), DNA strand breakage and inhibition with the enzyme topoisomerase II. Most of these compounds have been isolated from natural sources and antibiotics. However, they lack the specificity of the antimicrobial antibiotics and thus produce significant toxicity. The anthracyclines are among the most important antitumor drugs available. Doxorubicin is widely used for the treatment of several solid tumors while daunorubicin and idarubicin are used exclusively for the treatment of leukemia. Epirubicin may also inhibit polymerase activity, affect regulation of gene expression, and produce free radical damage to DNA. Epirubicin possesses an antitumor effect against a wide spectrum of tumors, either grafted or spontaneous. The anthracyclines are cell cycle-nonspecific.","Absorption":"100%","Interactions":[{"ID":"DB00501"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00446","Name":"Chloramphenicol","DrugType":"small molecule","HalfLife":"Half-life in adults with normal hepatic and renal function is 1.5 - 3.5 hours. In patients with impaired renal function half-life is 3 - 4 hours. In patients with severely impaired hepatic function half-life is 4.6 - 11.6 hours. Half-life in children 1 month to 16 years old is 3 - 6.5 hours, while half-life in infants 1 to 2 days old is 24 hours or longer and is highly variable, especially in low birth-weight infants.","Description":"An antibiotic first isolated from cultures of \u003ci\u003eStreptomyces venequelae\u003c/i\u003e in 1947 but now produced synthetically. It has a relatively simple structure and was the first broad-spectrum antibiotic to be discovered. It acts by interfering with bacterial protein synthesis and is mainly bacteriostatic. (From Martindale, The Extra Pharmacopoeia, 29th ed, p106)","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Used in treatment of cholera, as it destroys the vibrios and decreases the diarrhea. It is effective against tetracycline-resistant vibrios. It is also used in eye drops or ointment to treat bacterial conjunctivitis.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 1500 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 2500 mg/kg. Toxic reactions including fatalities have occurred in the premature and newborn; the signs and symptoms associated with these reactions have been referred to as the gray syndrome. Symptoms include (in order of appearance) abdominal distension with or without emesis, progressive pallid cyanosis, vasomotor collapse frequently accompanied by irregular respiration, and death within a few hours of onset of these symptoms.","MechanismOfAction":"Chloramphenicol is lipid-soluble, allowing it to diffuse through the bacterial cell membrane. It then reversibly binds to the L16 protein of the 50S subunit of bacterial ribosomes, where transfer of amino acids to growing peptide chains is prevented (perhaps by suppression of peptidyl transferase activity), thus inhibiting peptide bond formation and subsequent protein synthesis.","Pharmacodynamics":"Chloramphenicol is a broad-spectrum antibiotic that was derived from the bacterium Streptomyces venezuelae and is now produced synthetically. Chloramphenicol is effective against a wide variety of microorganisms, but due to serious side-effects (e.g., damage to the bone marrow, including aplastic anemia) in humans, it is usually reserved for the treatment of serious and life-threatening infections (e.g., typhoid fever). Chloramphenicol is bacteriostatic but may be bactericidal in high concentrations or when used against highly susceptible organisms. Chloramphenicol stops bacterial growth by binding to the bacterial ribosome (blocking peptidyl transferase) and inhibiting protein synthesis.","Absorption":"Rapidly and completely absorbed from gastrointestinal tract following oral administration (bioavailability 80%). Well absorbed following intramuscular administration (bioavailability 70%). Intraocular and some systemic absorption also occurs after topical application to the eye.","Interactions":[{"ID":"DB00414"},{"ID":"DB00241"},{"ID":"DB00672"},{"ID":"DB00091"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB08815"},{"ID":"DB00532"},{"ID":"DB00252"},{"ID":"DB01045"},{"ID":"DB06207"},{"ID":"DB00864"},{"ID":"DB00599"},{"ID":"DB00839"},{"ID":"DB01124"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]}]},{"ID":"DB00447","Name":"Loracarbef","DrugType":"small molecule","HalfLife":"1 hour. In subjects with moderate impairment of renal function the plasma half-life was prolonged to approximately 5.6 hours.","Description":"Loracarbef is a carbacephem antibiotic sometimes grouped together with the second-generation cephalosporin antibiotics. It is marketed under the trade name Lorabid.","Classification":{"Description":"This compound belongs to the carbacephems. These are a new class of beta-lactam antibiotics similar in structure to the cephalosporins.They differ from cephalosporins, however, in the substitution of a sulfur atom in the dihydrothiazine ring with a methylene group to form a tetrahydropyridine ring.","DirectParent":"Carbacephems","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to treat upper respiratory tract bacterial infections, chronic bronchitis, pneumonia, sinusitis, pharyntitis and tonsillitis, skin absceses, urinary tract infections and pyelonephritis caused by \u003ci\u003eE. coli\u003c/i\u003e, \u003ci\u003eS. pyogenes\u003c/i\u003e, \u003ci\u003eS. aureus\u003c/i\u003e, \u003ci\u003eS. saprphyticus\u003c/i\u003e, \u003ci\u003eS. penumoniae\u003c/i\u003e, \u003ci\u003eH. influenzae\u003c/i\u003e and \u003ci\u003eM. catarrhalis\u003c/i\u003e.","Toxicity":"Adverse effects include diarrhea, nausea, stomach upset, vomiting, headache, dizziness, rash, bone marrow depression.","MechanismOfAction":"Loracarbef is an oral, synthetic beta-lactam antibiotic of the carbacephem class. Chemically, carbacephems differ from cephalosporin-class antibiotics in the dihydrothiazine ring where a methylene group has been substituted for a sulfur atom. Loracarbef has a spectrum of activity similar to that of the second generation cephalosporins. It is structurally identical to cefaclor except for a sulfur atom that has been replaced by a methylene group. This change gives greater chemical stability in solution and allows storage at room temperature. Loracarbef, like all b-lactams and cephalosporins, inhibits penicillin binding proteins, enzymes that create the cross-linkage of the peptidoglycan polymer. This binding leads to interference with the formation and remodeling of the cell wall structure.","Pharmacodynamics":"Loracarbef is considered a second generation cephalosporin antibiotic. The advantages of cephalosporin antibiotics include a broad range of activity, a safe record in children with almost no dose-related toxicity, and the lack of need to monitor levels. Adverse reactions are rare and consist primarily of hypersensitivity reactions with urticaria, nonspecific rash, and pruritus. Loracarbef can be used to treat a large number of bacterial infections caused by gram-negative and gram-positive bacteria, including upper respiratory tract bacterial infections, chronic bronchitis, pneumonia, sinusitis, pharyntitis and tonsillitis, skin absceses, urinary tract infections and pyelonephritis caused by \u003ci\u003eE. coli\u003c/i\u003e, \u003ci\u003eS. pyogenes\u003c/i\u003e, \u003ci\u003eS. aureus\u003c/i\u003e, \u003ci\u003eS. saprphyticus\u003c/i\u003e, \u003ci\u003eS. penumoniae\u003c/i\u003e, \u003ci\u003eH. influenzae\u003c/i\u003e and \u003ci\u003eM. catarrhalis\u003c/i\u003e.","Absorption":"Well absorbed with approximately 90% absorbed from the gastrointestinal tract after oral ingestion.","Interactions":[{"ID":"DB01032"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00448","Name":"Lansoprazole","DrugType":"small molecule","HalfLife":"1.5 (\u0026plusmn; 1.0) hours","Description":"Lansoprazole is a proton pump inhibitor which prevents the stomach from producing acid. It is manufactured by TAP Pharmaceutical Products. Lansoprazole has been marketed for many years and is one of several PPI's available.","Classification":{"Description":"This compound belongs to the sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.","DirectParent":"Sulfinylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Sulfinylbenzimidazoles"},"Indication":"For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use.","Toxicity":"Symptoms of overdose include abdominal pain, nausea and diarrhea.","MechanismOfAction":"Lansoprazole belongs to a class of antisecretory compounds, the substituted benzimidazoles, that do not exhibit anticholinergic or histamine H\u003csub\u003e2\u003c/sub\u003e-receptor antagonist properties, but rather suppress gastric acid secretion by specific inhibition of the (H\u003csup\u003e+\u003c/sup\u003e,K\u003csup\u003e+\u003c/sup\u003e)-ATPase enzyme system at the secretory surface of the gastric parietal cell. Because this enzyme system is regarded as the acid (proton) pump within the parietal cell, Lansoprazole has been characterized as a gastric acid-pump inhibitor, in that it blocks the final step of acid production. This effect is dose-related and leads to inhibition of both basal and stimulated gastric acid secretion irrespective of the stimulus.","Pharmacodynamics":"Lansoprazole, an acid proton-pump inhibitor similar to omeprazole, is used as an untiulcer drug in the treatment and maintenance of healing of duodenal or gastric ulcers, erosive and reflux esophagitis, NSAID-induced ulcer, Zollinger-Ellison syndrome, and Barrett's esophagus. Lansoprozole is active against \u003ci\u003eHelicobacter pylori\u003c/i\u003e. The plasma elimination half-life of lansoprazole does not reflect its duration of suppression of gastric acid secretion. Thus, the plasma elimination half-life is less than two hours, while the acid inhibitory effect lasts more than 24 hours.","Absorption":"The absorption of lansoprazole is rapid, with mean C\u003csub\u003emax\u003c/sub\u003e occurring approximately 1.7 hours after oral dosing, and relatively complete with absolute bioavailability over 80%.","Interactions":[{"ID":"DB01072"},{"ID":"DB06616"},{"ID":"DB01066"},{"ID":"DB00758"},{"ID":"DB00467"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB06209"},{"ID":"DB08864"},{"ID":"DB00364"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00449","Name":"Dipivefrin","DrugType":"small molecule","HalfLife":"","Description":"Dipivefrin is a prodrug of adrenaline, which is used to treat glaucoma. It is available as ophthalmic solution (eye drops).","Classification":{"Description":"This compound belongs to the phenol esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.","DirectParent":"Phenol Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Esters"},"Indication":"Dipivefrin is a prodrug which is used as initial therapy for the control of intraocular pressure in chronic open-angle glaucoma.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat is 183 mg/kg.","MechanismOfAction":"Dipivefrin is a prodrug with little or no pharmacologically activity until it is hydrolyzed into epinephrine inside the human eye. The liberated epinephrine, an adrenergic agonist, appears to exert its action by stimulating α -and/or β\u003csub\u003e2\u003c/sub\u003e-adrenergic receptors, leading to a decrease in aqueous production and an enhancement of outflow facility. The dipivefrin prodrug delivery system is a more efficient way of delivering the therapeutic effects of epinephrine, with fewer side effects than are associated with conventional epinephrine therapy.","Pharmacodynamics":"Dipivefrin is a member of a class of drugs known as prodrugs. Prodrugs are usually not active in themselves and require biotransformation to the parent compound before therapeutic activity is seen. These modifications are undertaken to enhance absorption, decrease side effects and enhance stability and comfort, thus making the parent compound a more useful drug. Enhanced absorption makes the prodrug a more efficient delivery system for the parent drug because less drug will be needed to produce the desired therapeutic response. Dipivefrin is a prodrug of epinephrine formed by the diesterification of epinephrine and pivalic acid. The addition of pivaloyl groups to the epinephrine molecule enhances its lipophilic character and, as a consequence, its penetration into the anterior chamber.","Absorption":"Well absorbed following occular administration.","Interactions":[{"ID":"DB06700"},{"ID":"DB00285"}],"Salts":[{"ID":"DBSALT000626","Name":"Dipivefrin Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00450","Name":"Droperidol","DrugType":"small molecule","HalfLife":"Biphasic distribution. The rapid distribution phase is 1.4 \u0026plusmn; 0.5 minutes and the slower distribution phase is 14.3 \u0026plusmn; 6.5 minutes. Elimination half-life in adults is 134 \u0026plusmn; 13 minutes and may be increased in geriatric patients. In children, it is 101.5 \u0026plusmn; 26.4 minutes.","Description":"A butyrophenone with general properties similar to those of haloperidol. It is used in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593)","Classification":{"Description":"This compound belongs to the butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.","DirectParent":"Butyrophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Butyrophenones"},"Indication":"Droperidol is ssed to produce tranquilization and to reduce the incidence of nausea and vomiting in surgical and diagnostic procedures.","Toxicity":"The intravenous LD\u003csub\u003e50\u003c/sub\u003e of droperidol is 20-43 mg/kg in mice; 30 mg/kg in rats; 25 mg/kg in dogs and 11-13 mg/kg in rabbits. The intramuscular LD\u003csub\u003e50\u003c/sub\u003e of droperidol is 195 mg/kg in mice, 104-110 mg/kg in rats; 97 mg/kg in rabbits and 200 mg/kg in guinea pigs. The manifestations of droperidol overdosage are an extension of its pharmacologic actions.","MechanismOfAction":"The exact mechanism of action is unknown, however, droperidol causes a CNS depression at subcortical levels of the brain, midbrain, and brainstem reticular formation. It may antagonize the actions of glutamic acid within the extrapyramidal system. It may also inhibit cathecolamine receptors and the reuptake of neurotransmiters and has strong central antidopaminergic action and weak central anticholinergic action. It can also produce ganglionic blockade and reduced affective response. The main actions seem to stem from its potent Dopamine(2) receptor antagonism with minor antagonistic effects on alpha-1 adrenergic receptors as well.","Pharmacodynamics":"Droperidol produces marked tranquilization and sedation. It allays apprehension and provides a state of mental detachment and indifference while maintaining a state of reflex alertness. Droperidol produces an antiemetic effect as evidenced by the antagonism of apomorphine in dogs. It lowers the incidence of nausea and vomiting during surgical procedures and provides antiemetic protection in the postoperative period. Droperidol potentiates other CNS depressants. It produces mild alpha-adrenergic blockade, peripheral vascular dilatation and reduction of the pressor effect of epinephrine. It can produce hypotension and decreased peripheral vascular resistance and may decrease pulmonary arterial pressure (particularly if it is abnormally high). It may reduce the incidence of epinephrine-induced arrhythmias, but it does not prevent other cardiac arrhythmias.","Absorption":"Completely absorbed following intramuscular administration.","Interactions":[{"ID":"DB06697"},{"ID":"DB00484"},{"ID":"DB00921"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00611"},{"ID":"DB00395"},{"ID":"DB01551"},{"ID":"DB06708"},{"ID":"DB01369"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB04844"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00451","Name":"Levothyroxine","DrugType":"small molecule","HalfLife":"T\u003csub\u003e4\u003c/sub\u003e, 6 to 7 days. T\u003csub\u003e3\u003c/sub\u003e, 1 to 2 days.","Description":"The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (monoiodotyrosine) and the coupling of iodotyrosines (diiodotyrosine) in the thyroglobulin. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form triiodothyronine which exerts a broad spectrum of stimulatory effects on cell metabolism. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"For use alone or in combination with antithyroid agents to treat hypothyroidism, goiter, chronic lymphocytic thyroiditis, myxedema coma, and stupor.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=20 mg/kg (orally in rat). Hypermetabolic state indistinguishable from thyrotoxicosis of endogenous origin. Symptoms of thyrotoxicosis include weight loss, increased appetite, palpitations, nervousness, diarrhea, abdominal cramps, sweating, tachycardia, increased pulse and blood pressure, cardiac arrhythmias, tremors, insomnia, heat intolerance, fever, and menstrual irregularities.","MechanismOfAction":"Levothyroxine acts like the endogenous thyroid hormone thyroxine (T\u003csub\u003e4\u003c/sub\u003e, a tetra-iodinated tyrosine derivative). In the liver and kidney, T\u003csub\u003e4\u003c/sub\u003e is converted to T\u003csub\u003e3\u003c/sub\u003e, the active metabolite. In order to increase solubility, the thyroid hormones attach to thyroid hormone binding proteins, thyroxin-binding globulin, and thyroxin-binding prealbumin (transthyretin). Transport and binding to thyroid hormone receptors in the cytoplasm and nucleus then takes place. Thus by acting as a replacement for natural thyroxine, symptoms of thyroxine deficiency are relieved.","Pharmacodynamics":"Levothyroxine (T\u003csub\u003e4\u003c/sub\u003e) is a synthetically prepared levo isomer of thyroxine, the major hormone secreted from the thyroid gland. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form triiodothyronine (T\u003csub\u003e3\u003c/sub\u003e) which exerts a broad spectrum of stimulatory effects on cell metabolism. Thyroid hormone increases the metabolic rate of cells of all tissues in the body. In the fetus and newborn, thyroid hormone is important for the growth and development of all tissues including bones and the brain. In adults, thyroid hormone helps to maintain brain function, food metabolism, and body temperature, among other effects. The symptoms of thyroid deficiency relieved by levothyroxine include slow speech, lack of energy, weight gain, hair loss, dry thick skin and unusual sensitivity to cold.","Absorption":"Bioavailability varies from 48% to 80%. Human studies have confirmed the importance of an intact jejunum and ileum for levothyroxine absorption and have shown some absorption from the duodenum.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB01432"},{"ID":"DB00375"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB00481"},{"ID":"DB00364"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000244","Name":"Levothyroxine Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00452","Name":"Framycetin","DrugType":"small molecule","HalfLife":"","Description":"A component of neomycin that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed)","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For the treatment of bacterial blepharitis, bacterial bonjunctivitis, corneal injuries, corneal ulcers and meibomianitis. For the prophylaxis of ocular infections following foreign body removal","Toxicity":"","MechanismOfAction":"Framycetin binds to specific 30S-subunit proteins and 16S rRNA, four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to interference with the initiation complex, misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes.","Pharmacodynamics":"Framycetin is used for the treatment of bacterial eye infections such as conjunctivitis. Framycetin is an antibiotic. It is not active against fungi, viruses and most kinds of anaerobic bacteria. Framycetin works by binding to the bacterial 30S ribosomal subunit, causing misreading of t-RNA, leaving the bacterium unable to synthesize proteins vital to its growth. Framycetin is useful primarily in infections involving aerobic bacteria bacteria.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000995","Name":"Framycetin sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00453","Name":"Clomocycline","DrugType":"small molecule","HalfLife":"","Description":"Clomocycline is a tetracycline antibiotic.","Classification":{"Description":"This compound belongs to the naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.","DirectParent":"Naphthacenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"For the treatment and management of Brucellosis, mycoplasma infection, acne vulgaris, chlamydial infection;Chronic bronchitis","Toxicity":"","MechanismOfAction":"Clomocycline inhibits cell growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Clomocycline is lipophilic and can easily pass through the cell membrane or passively diffuses through porin channels in the bacterial membrane.","Pharmacodynamics":"Clomocycline is a tetracycline antibiotic that is commonly prescribed by medical doctors for infections and to treat acne. It may also be used to treat urinary tract infections, gum disease, and other bacterial infections such as gonorrhea and chlamydia. Clomocycline is also used commonly as a prophylactic treatment for infection by Bacillus anthracis (anthrax). It is also effective against Yersinia pestis and malaria and is also prescribed for the treatment of Lyme disease. Clomocycline inhibits cell growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Cells become resistant to Clomocycline by at least two mechanisms: efflux and ribosomal protection. In efflux, a resistance gene encodes a membrane protein that actively pumps Clomocycline out of the cell. This is the mechanism of action of the tetracycline resistance gene on the artificial plasmid pBR322. In ribosomal protection, a resistance gene encodes a protein which binds to the ribosome and prevents Clomocycline from acting on the ribosome.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00262","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00453","DB01972","DB02431","DB03685"]}]},{"ID":"DB00454","Name":"Pethidine","DrugType":"small molecule","HalfLife":"Initial distribution phase (t\u003csub\u003e1/2 \u0026alpha;\u003c/sub\u003e) = 2-11 minutes; terminal elimination phase (t\u003csub\u003e1/2 \u0026beta;\u003c/sub\u003e) = 3-5 hours. In patients with hepatic dysfunction (e.g. liver cirrhosis or active viral hepatitis) the t\u003csub\u003e1/2 \u0026beta;\u003c/sub\u003e is prolonged to 7-11 hours.","Description":"A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"Used to control moderate to severe pain.","Toxicity":"","MechanismOfAction":"Meperidine is primarily a kappa-opiate receptor agonist and also has local anesthetic effects. Meperidine has more affinity for the kappa-receptor than morphine. Opiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Meperidine is a synthetic opiate agonist belonging to the phenylpiperidine class. Meperidine may produce less smooth muscle spasm, constipation, and depression of the cough reflex than equivalent doses of morphine. The onset of action is lightly more rapid than with morphine, and the duration of action is slightly shorter. The chemical structure of meperidine is similar to local anesthetics. Meperidine is recommended for relief of moderate to severe acute pain and has the unique ability to interrupt postoperative shivering and shaking chills induced by amphotericin B. Meperidine has also been used for intravenous regional anesthesia, peripheral nerve blocks and intraarticular, epidural and spinal analgesia. Meperidine is considered a second-line agent for the treatment of acute pain.","Absorption":"The oral bioavailability of meperidine in patients with normal hepatic function is 50-60% due to extensive first-pass metabolism. Bioavailability increases to 80-90% in patients with hepatic impairment (e.g. liver cirrhosis). Meperidine is less than half as effective when administered orally compared to parenteral administration. One study reported that 80-85% of the drug administered intramuscularly was absorbed within 6 hours of intragluteal injection in health adults; however, inter-individual variation and patient-specific variable appear to cause considerable variations in absorption upon IM injection. ","Interactions":[{"ID":"DB06274"},{"ID":"DB00477"},{"ID":"DB06700"},{"ID":"DB00843"},{"ID":"DB06210"},{"ID":"DB00674"},{"ID":"DB01247"},{"ID":"DB00951"},{"ID":"DB01171"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01037"},{"ID":"DB01105"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT001046","Name":"Meperidine hydrochloride"},{"ID":"DBSALT000628","Name":"Pethidine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00455","Name":"Loratadine","DrugType":"small molecule","HalfLife":"8.4 hours","Description":"Loratadine is a derivative of azatadine and a second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (histamine H1 antagonists) it lacks central nervous system depressing effects such as drowsiness. [PubChem]","Classification":{"Description":"This compound belongs to the benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.","DirectParent":"Benzocycloheptapyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzocycloheptapyridines","SubClass":""},"Indication":"A self-medication that is used alone or in combination with pseudoephedrine sulfate for the symptomatic relief of seasonal allergic rhinitis. Also used for the symptomatic relief of pruritus, erythema, and urticaria associated with chronic idiopathic urticaria in patients (not for children under 6 unless directed by a clincian).","Toxicity":"somnolence, tachycardia, and headache LD\u003csub\u003e50\u003c/sub\u003e=mg/kg (orally in rat)","MechanismOfAction":"Loratadine competes with free histamine and exhibits specific, selective peripheral H\u003csub\u003e1\u003c/sub\u003e antagonistic activity. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms (eg. nasal congestion, watery eyes) brought on by histamine. Loratadine has low affinity for cholinergic receptors and does not exhibit any appreciable alpha-adrenergic blocking activity in-vitro. Loratadine also appears to suppress the release of histamine and leukotrienes from animal mast cells, and the release of leukotrienes from human lung fragments, although the clinical importance of this is unknown.","Pharmacodynamics":"Loratadine is a long acting second generation antihistamine that is similar in structure to cyproheptadine and azatadine. The pharmacology of loratadine is similar to other antihistamines, but unlike other H\u003csub\u003e1\u003c/sub\u003e-blockers, loratidine is shown to exhibit competitive, specific, and selective antagonism of H\u003csub\u003e1\u003c/sub\u003e receptors. The exact mechanism of this interaction is unknown, but disposition of the drug suggests that loratadine's prolonged antagonism of histamine may be due to the drug's slow dissociation from the receptor or the formation of the active metabolite, desloratadine. Loratadine does not penetrate the CNS effectively and has a low affinity for CNS H\u003csub\u003e1\u003c/sub\u003e-receptors.","Absorption":"Rapidly absorbed following oral administration (40% bioavailability)","Interactions":[{"ID":"DB01149"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00456","Name":"Cefalotin","DrugType":"small molecule","HalfLife":"30 minutes","Description":"A cephalosporin antibiotic. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to prevent infection during surgery and to treat many kinds of infections of the blood, bone or joints, respiratory tract, skin, and urinary tract.","Toxicity":"Rat intravenous LD\u003csub\u003e50\u003c/sub\u003e is 4000 mg/kg.","MechanismOfAction":"The bactericidal activity of cefalotin results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). The PBPs are transpeptidases which are vital in peptidoglycan biosynthesis. Therefore, their inhibition prevents this vital cell wall compenent from being properly synthesized.","Pharmacodynamics":"Cefalotin (INN) or cephalothin (USAN) is a semisynthetic first generation cephalosporin having a broad spectrum of antibiotic activity that is administered parenterally.","Absorption":"","Interactions":[{"ID":"DB00479"}],"Salts":[{"ID":"DBSALT000262","Name":"Cefalotin Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00457","Name":"Prazosin","DrugType":"small molecule","HalfLife":"2-3 hours","Description":"Prazosin is a selective \u0026alpha;-\u003csub\u003e1\u003c/sub\u003e-adrenergic receptor antagonist used to treat hypertension. It has also been used to decrease urinary obstruction and relieve symptoms associated with symptomatic benign prostatic hyperplasia. \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-Receptors mediate contraction and hypertrophic growth of smooth muscle cells. Antagonism of these receptors leads to smooth muscle relaxation in the peripheral vasculature and prostate gland. Prazosin has also been used in conjunction with cardiac glycosides and diuretics in the management of severe congestive heart failure. It has also been used alone or in combination with \u0026beta;-blockers in the preoperative management of signs and symptoms of pheochromocytoma. ","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For treatment of hypertension, symptomatic benign prostatic hyperplasia, and severe congestive heart failure. May also be used alone or in combination with \u0026beta;-blockers in the preoperative management of signs and symptoms of pheochromocytoma. ","Toxicity":"","MechanismOfAction":"Prazosin acts by inhibiting the postsynaptic alpha(1)-adrenoceptors on vascular smooth muscle. This inhibits the vasoconstrictor effect of circulating and locally released catecholamines (epinephrine and norepinephrine), resulting in peripheral vasodilation.","Pharmacodynamics":"Prazosin is an alpha-adrenergic blocking agent used to treat hypertension and benign prostatic hyperplasia. Accordingly, Prazosin is a selective inhibitor of the alpha1 subtype of alpha adrenergic receptors. In the human prostate, Prazosin antagonizes phenylephrine (alpha1 agonist)-induced contractions, \u003ci\u003ein vitro\u003c/i\u003e, and binds with high affinity to the alpha1c adrenoceptor, which is thought to be the predominant functional type in the prostate. Studies in normal human subjects have shown that Prazosin competitively antagonized the pressor effects of phenylephrine (an alpha1 agonist) and the systolic pressor effect of norepinephrine. The antihypertensive effect of Prazosin results from a decrease in systemic vascular resistance and the parent compound Prazosin is primarily responsible for the antihypertensive activity.","Absorption":"Well-absorbed from gastrointestinal tract; bioavailability is variable (50 to 85%).","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB06695"},{"ID":"DB00390"},{"ID":"DB00187"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00489"},{"ID":"DB00820"},{"ID":"DB00706"},{"ID":"DB00373"},{"ID":"DB00374"},{"ID":"DB00862"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT000329","Name":"Prazosin Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00458","Name":"Imipramine","DrugType":"small molecule","HalfLife":"Imipramine - 8-20 hours; Desipramine (active metabolite) - up to 125 hours","Description":"Imipramine, the prototypical tricyclic antidepressant (TCA), is a dibenzazepine-derivative TCA. TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, imipramine does not affect mood or arousal, but may cause sedation. In depressed individuals, imipramine exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as imipramine and amitriptyline, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline and desipramine. TCAs also down-regulate cerebral cortical \u0026beta;-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine H\u003csub\u003e1\u003c/sub\u003e receptors, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. Imipramine has less sedative and anticholinergic effects than the tertiary amine TCAs, amitriptyline and clomipramine. See toxicity section below for a complete listing of side effects. Imipramine may be used to treat depression and nocturnal enuresis in children. Unlabeled indications include chronic and neuropathic pain (including diabetic neuropathy), panic disorder, attention-deficit/hyperactivity disorder (ADHD), and post-traumatic stress disorder (PTSD). ","Classification":{"Description":"This compound belongs to the dibenzazepines. These are compounds with two benzene rings connected by an azepine ring.","DirectParent":"Dibenzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":"Dibenzazepines"},"Indication":"For the relief of symptoms of depression and as temporary adjunctive therapy in reducing enuresis in children aged 6 years and older. May also be used to manage panic disorders, with or without agoraphobia, as a second line agent in ADHD, management of eating disorders, for short-term management of acute depressive episodes in bipolar disorder and schizophrenia, and for symptomatic treatment of postherpetic neuralgia. ","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 355 to 682 mg/kg. Toxic signs proceed progressively from depression, irregular respiration and ataxia to convulsions and death. Antagonism of the histamine H\u003csub\u003e1\u003c/sub\u003e and \u0026alpha;\u003csub\u003e1\u003c/sub\u003e receptors can lead to sedation and hypotension. Antimuscarinic and anticholinergic side effects such as blurred vision, dry mouth, constipation and urine retention may occur. Cardiotoxicity may occur with high doses of imipramine. Cardiovascular side effects in postural hypotension, tachycardia, hypertension, ECG changes and congestive heart failure. Psychotoxic effects include impaired memory and delirium. Induction of hypomanic or manic episodes may occur in patients with a history of bipolar disorder. Withdrawal symptoms include GI disturbances (e.g. nausea, vomiting, abdominal pain, diarrhea), anxiety, insomnia, nervousness, headache and malaise. ","MechanismOfAction":"Imipramine works by inhibiting the neuronal reuptake of the neurotransmitters norepinephrine and serotonin. It binds the sodium-dependent serotonin transporter and sodium-dependent norepinephrine transporter preventing or reducing the reuptake of norepinephrine and serotonin by nerve cells. Depression has been linked to a lack of stimulation of the post-synaptic neuron by norepinephrine and serotonin. Slowing the reuptake of these neurotransmitters increases their concentration in the synaptic cleft, which is thought to contribute to relieving symptoms of depression. In addition to acutely inhibiting neurotransmitter re-uptake, imipramine causes down-regulation of cerebral cortical beta-adrenergic receptors and sensitization of post-synaptic serotonergic receptors with chronic use. This leads to enhanced serotonergic transmission. ","Pharmacodynamics":"Imipramine is a tricyclic antidepressant with general pharmacological properties similar to those of structurally related tricyclic antidepressant drugs such as amitriptyline and doxepin. A tertiary amine, imipramine inhibits the reuptake of serotonin more so than most secondary amine tricyclics, meaning that it blocks the reuptake of neurotransmitters serotonin and noradrenaline almost equally. With chronic use, imipramine also down-regulates cerebral cortical \u0026beta;-adrenergic receptors and sensitizes post-synaptic sertonergic receptors, which also contributes to increased serotonergic transmission. It takes approximately 2 - 4 weeks for antidepressants effects to occur. The onset of action may be longer, up to 8 weeks, in some individuals. It is also effective in migraine prophylaxis, but not in abortion of acute migraine attack. ","Absorption":"Rapidly and well absorbed after oral administration. Bioavailability is approximately 43%. Peak plasma concentrations usually attained 1 - 2 hours following oral administration. Absorption is unaffected by food. ","Interactions":[{"ID":"DB00488"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB01341"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB00476"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB06704"},{"ID":"DB01247"},{"ID":"DB01064"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB01365"},{"ID":"DB00933"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB01171"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB00780"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01001"},{"ID":"DB01105"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00208"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000099","Name":"Imipramine Hydrochloride"},{"ID":"DBSALT000100","Name":"Imipramine Pamoate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00459","Name":"Acitretin","DrugType":"small molecule","HalfLife":"49 hours (range 33 to 96 hours)","Description":"An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of etretinate with the advantage of a much shorter half-life when compared with etretinate. [PubChem]","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"For the treatment of severe psoriasis in adults.","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = \u003e4000 mg/kg. Symptoms of overdose include headache and vertigo.","MechanismOfAction":"The mechanism of action of acitretin is unknown, however it is believed to work by targeting specific receptors (retinoid receptors such as RXR and RAR) in the skin which help normalize the growth cycle of skin cells.","Pharmacodynamics":"Acitretin is a retinoid. Retinoids have a structure similar to vitamin A and are involved in the normal growth of skin cells. Acitretin works by inhibiting the excessive cell growth and keratinisation (process by which skin cells become thickened due to the deposition of a protein within them) seen in psoriasis. It therefore reduces the thickening of the skin, plaque formation and scaling.","Absorption":"Oral absorption of acitretin is optimal when given with food, and is linear and proportional with increasing doses from 25 to 100 mg. Approximately 72% (range 47% to 109%) of the administered dose was absorbed after a single 50 mg dose of acitretin was given to 12 healthy subjects.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00717"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"},{"ID":"DB00162"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00460","Name":"Verteporfin","DrugType":"small molecule","HalfLife":"Following intravenous infusion, verteporfin exhibits a bi-exponential elimination with a terminal elimination half-life of approximately 5-6 hours. Mild hepatic insufficiency increases half-life by approximately 20%.","Description":"Verteporfin, otherwise known as benzoporphyrin derivative (trade name Visudyne®), is a medication used as a photosensitizer for photodynamic therapy to eliminate the abnormal blood vessels in the eye associated with conditions such as the wet form of macular degeneration. Verteporfin accumulates in these abnormal blood vessels and, when stimulated by nonthermal red light with a wavelength of 693 nm in the presence of oxygen, produces highly reactive short-lived singlet oxygen and other reactive oxygen radicals, resulting in local damage to the endothelium and blockage of the vessels.","Classification":{"Description":"This compound belongs to the chlorins. These are large heterocyclic aromatic ringsystems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages.","DirectParent":"Chlorins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Chlorins"},"Indication":"For the treatment of patients with predominantly classic subfoveal choroidal neovascularization due to age-related macular degeneration, pathologic myopia or presumed ocular histoplasmosis syndrome. Verteporfin can also be used to destroy tumors.","Toxicity":"Overdose of drug and/or light in the treated eye may result in nonperfusion of normal retinal vessels with the possibility of severe decrease in vision that could be permanent. An overdose of drug will also result in the prolongation of the period during which the patient remains photosensitive to bright light.","MechanismOfAction":"Verteporfin is transported in the plasma primarily by lipoproteins. Once verteporfin is activated by light in the presence of oxygen, highly reactive, short-lived singlet oxygen and reactive oxygen radicals are generated. Light activation of verteporfin results in local damage to neovascular endothelium, resulting in vessel occlusion. Damaged endothelium is known to release procoagulant and vasoactive factors through the lipo-oxygenase (leukotriene) and cyclo-oxygenase (eicosanoids such as thromboxane) pathways, resulting in platelet aggregation, fibrin clot formation and vasoconstriction. Verteporfin appears to somewhat preferentially accumulate in neovasculature, including choroidal neovasculature. However, animal models indicate that the drug is also present in the retina. As singlet oxygen and reactive oxygen radicals are cytotoxic, Verteporfin can also be used to destroy tumor cells.","Pharmacodynamics":"Verteporfin, otherwise known as benzoporphyrin derivative, is a medication used in conjunction with laser treatment to eliminate the abnormal blood vessels in the eye associated with conditions such as the wet form of macular degeneration. Verteporfin accumulates in these abnormal blood vessels and, when stimulated by nonthermal red light with a wavelength of 693 nm in the presence of oxygen, produces highly reactive short-lived singlet oxygen and other reactive oxygen radicals, resulting in local damage to the endothelium and blockage of the vessels.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00461","Name":"Nabumetone","DrugType":"small molecule","HalfLife":"Approximately 23 hours for the active metabolite, 6MNA. Increased in patients with renal insufficiency.","Description":"Nabumetone is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid family (which includes diclofenac). Marketed under the brand name Relafen, it has been shown to have a slightly lower risk of gastrointestinal side effects than most other non-selective NSAIDs.\r\n\r\n","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For acute and chronic treatment of signs and symptoms of osteoarthritis and rheumatoid arthritis.","Toxicity":"The one overdose occurred in a 17-year-old female patient who had a history of abdominal pain and was hospitalized for increased abdominal pain following ingestion of 30 nabumetone tablets (15 grams total). Stools were negative for occult blood and there was no fall in serum hemoglobin concentration. The patient had no other symptoms.","MechanismOfAction":"The parent compound is a prodrug, which undergoes hepatic biotransformation to the active component, 6-methoxy-2-naphthylacetic acid (6MNA), that is a potent inhibitor of prostaglandin synthesis, most likely through binding to the COX-2 and COX-1 receptors.","Pharmacodynamics":"Nabumetone is a naphthylalkanone. Is is a non-selective prostaglandin G/H synthase (a.k.a. cyclooxygenase or COX) inhibitor that acts on both prostaglandin G/H synthase 1 and 2 (COX-1 and -2). Prostaglandin G/H synthase catalyzes the conversion of arachidonic acid to prostaglandin G2 and prostaglandin G2 to prostaglandin H2. Prostaglandin H2 is the precursor to a number of prostaglandins involved in fever, pain, swelling, inflammation, and platelet aggregation. The parent compound is a prodrug that undergoes hepatic biotransformation to the active compound, 6-methoxy-2-naphthylacetic acid (6MNA). The analgesic, antipyretic and anti-inflammatory effects of NSAIDs occur as a result of decreased prostaglandin synthesis.","Absorption":"Well absorbed from the gastrointestinal tract. Coadministration of food increases the rate of absorption and subsequent appearance of 6MNA (the active metabolite) in the plasma but does not affect the extent of conversion of nabumetone into 6MNA.","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB01381"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00114","Drugs":["DB00142","DB00143","DB00461","DB01373","DB01593","DB04557"]}]},{"ID":"DB00462","Name":"Methylscopolamine bromide","DrugType":"small molecule","HalfLife":"","Description":"A muscarinic antagonist used to study binding characteristics of muscarinic cholinergic receptors. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"Used as adjunctive therapy for the treatment of peptic ulcer. Also used to treat nausea and vomiting due to motion sickness.","Toxicity":"Symptoms of a methscopolamine overdose include headache, nausea, vomiting, dry mouth, difficulty swallowing, blurred vision, dilated pupils, hot, dry skin, dizziness; drowsiness, confusion, anxiety, seizures, weak pulse, and an irregular heartbeat. In addition, a curare-like action may occur, i.e., neuromuscular blockade leading to muscular weakness and possible paralysis.","MechanismOfAction":"Methscopolamine acts by interfering with the transmission of nerve impulses by acetylcholine in the parasympathetic nervous system (specifically the vomiting center). It does so by acting as a muscarinic antagonist.","Pharmacodynamics":"Methscopolamine is a muscarinic antagonist structurally similar to the neurotransmitter acetylcholine and acts by blocking the muscarinic acetylcholine receptors and is thus classified as an anticholinergic. Methscopolamine has many uses including the prevention of motion sickness. It is not clear how Methscopolamine prevents nausea and vomiting due to motion sickness. The vestibular part of the ear is very important for balance. When a person becomes disoriented due to motion, the vestibule sends a signal through nerves to the vomiting center in the brain, and vomiting occurs. Acetylcholine is a chemical that nerves use to transmit messages to each other. It is believe that Methscopolamine prevents communication between the nerves of the vestibule and the vomiting center in the brain by blocking the action of acetylcholine. Methscopolamine also may work directly on the vomiting center. Methscopolamine must be taken before the onset of motion sickness to be effective.","Absorption":"Poorly and unreliably absorbed, total absorption is 10-25%.","Interactions":[{"ID":"DB08810"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00463","Name":"Metharbital","DrugType":"small molecule","HalfLife":"","Description":"Metharbital was patented in 1905 by Emil Fischer working for Merck. It was marketed as Gemonil by Abbott Laboratories. It is a barbiturate anticonvulsant, used in the treatment of epilepsy. It has similar properties to phenobarbital [Wikipedia].\r\n\r\n","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Metharbital is used for the treatment of epilepsy.","Toxicity":"Signs of overdose include confusion (severe), decrease in or loss of reflexes, drowsiness (severe), fever, irritability (continuing), low body temperature, poor judgment, shortness of breath or slow or troubled breathing, slow heartbeat, slurred speech, staggering, trouble in sleeping, unusual movements of the eyes, weakness (severe).","MechanismOfAction":"Metharbital binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission.","Pharmacodynamics":"Metharbital, a barbiturate, is used for the treatment of short term insomnia. It belongs to a group of medicines called central nervous system (CNS) depressants that induce drowsiness and relieve tension or nervousness. Little analgesia is conferred by barbiturates; their use in the presence of pain may result in excitation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00464","Name":"Sodium Tetradecyl Sulfate","DrugType":"small molecule","HalfLife":"","Description":"An anionic surface-active agent used for its wetting properties in industry and used in medicine as an irritant and sclerosing agent for hemorrhoids and varicose veins.","Classification":{"Description":"This compound belongs to the sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group.","DirectParent":"Sulfuric Acid Monoesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Sulfuric Acids and Derivatives","SubClass":"Sulfuric Acid Monoesters"},"Indication":"For the treatment of small uncomplicated varicose veins of the lower extremities that show simple dilation with competent valves.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1250 mg/kg (Orally in rat); LD\u003csub\u003e50\u003c/sub\u003e=3 ml/kg (Skin in rat)","MechanismOfAction":"Sodium tetradecyl sulfate is a potent toxin for endothelial cells in that brief exposure to even low concentrations are effective in stripping endothelium over a considerable distance and exposing highly thrombogenic endothelium in the process. Diluted sodium tetradecyl sulfate is also able to induce a hypercoagulable state, possibly by selective inhibition of protein C, and can also promote platelet aggregation.","Pharmacodynamics":"Sodium tetradecyl sulfate is an anionic surfactant which occurs as a white, waxy solid. It is used as a sclerosing agent in sclerotherapy. Sclerotherapy is an injection of a sclerosing agent directly through the skin into a lesion and is used primarily for slow-flow vascular anomalies, particularly for venous malformation and lymphatic malformation. Intravenous injection causes intima inflammation and thrombus formation. This usually occludes the injected vein. Subsequent formation of fibrous tissue results in partial or complete vein obliteration that may or may not be permanent.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00465","Name":"Ketorolac","DrugType":"small molecule","HalfLife":"2.5 hours for the S-enantiomer compared with 5 hours for the R-enantiomer","Description":"A pyrrolizine carboxylic acid derivative structurally related to indomethacin. It is an NSAID and is used principally for its analgesic activity. (From Martindale The Extra Pharmacopoeia, 31st ed)","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"For the short-term (~5 days) management of moderately severe acute pain that requires analgesia at the opioid level, usually in a postoperative setting.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 189 mg/kg (rat, oral).","MechanismOfAction":"Ketorolac is a nonsteroidal anti-inflammatory drug (NSAID) chemically related to indomethacin and tolmetin. Ketorolac tromethamine is a racemic mixture of [-]S- and [+]R-enantiomeric forms, with the S-form having analgesic activity. Its antiinflammatory effects are believed to be due to inhibition of both cylooxygenase-1 (COX-1) and cylooxygenase-2 (COX-2) which leads to the inhibition of prostaglandin synthesis leading to decreased formation of precursors of prostaglandins and thromboxanes from arachidonic acid. The resultant reduction in prostaglandin synthesis and activity may be at least partially responsible for many of the adverse, as well as the therapeutic, effects of these medications. Analgesia is probably produced via a peripheral action in which blockade of pain impulse generation results from decreased prostaglandin activity. However, inhibition of the synthesis or actions of other substances that sensitize pain receptors to mechanical or chemical stimulation may also contribute to the analgesic effect. In terms of the ophthalmic applications of ketorolac - ocular administration of ketorolac reduces prostaglandin E2 levels in aqueous humor, secondary to inhibition of prostaglandin biosynthesis.","Pharmacodynamics":"Ketorolac, an antiinflammatory agent with analgesic and antipyretic properties, is used to treat osteoarthritis and control acute pain. It is a peripherally acting analgesic. The biological activity of ketorolac tromethamine is associated with the S-form. Ketorolac tromethamine possesses no sedative or anxiolytic properties.","Absorption":"Rapidly and completely absorbed after oral administration","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00266"},{"ID":"DB06781"},{"ID":"DB06210"},{"ID":"DB01381"},{"ID":"DB01009"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB01032"},{"ID":"DB00605"},{"ID":"DB00966"},{"ID":"DB01600"},{"ID":"DB00373"},{"ID":"DB00500"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB06684"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT001045","Name":"Ketorolac Tromethamine"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00098","Drugs":["DB00142","DB00143","DB00465","DB01373","DB01593","DB04557"]}]},{"ID":"DB00466","Name":"Picrotoxin","DrugType":"small molecule","HalfLife":"","Description":"A noncompetitive antagonist at GABA-A receptors and thus a convulsant. Picrotoxin blocks the gamma-aminobutyric acid-activated chloride ionophore. Although it is most often used as a research tool, it has been used as a CNS stimulant and an antidote in poisoning by CNS depressants, especially the barbiturates. [PubChem]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used internally for relieving respiratory distress. Also for use as an antidote in poisoning by CNS depressants, especially barbiturates.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 15 mg/kg. In large doses it is a powerful poison, causing unconsciousness, delirium, convulsions, gastro-enteritis and stimulation of the respiratory centre followed by paralysis, from which death sometimes results.","MechanismOfAction":"Picrotoxin antagonizes the GABA\u003csub\u003eA\u003c/sub\u003e receptor channel directly, which is a ligand-gated ion channel concerned chiefly with the passing of chloride ions across the cell membrane. Therefore picrotoxin prevents Cl\u003csup\u003e-\u003c/sup\u003e channel permeability and thus promtes an inhibitory influence on the target neuron. Picrotoxin reduces conductance through the channel by reducing not only the opening frequency but also the mean open time. Picrotoxin also antagonizes GABA\u003csub\u003eC\u003c/sub\u003e receptors (also called GABA\u003csub\u003eA\u003c/sub\u003e-rho receptors) but the result of this action is not known. The GABA\u003csub\u003eC\u003c/sub\u003e receptor is also linked to chloride channels, with distinct physiological and pharmacological properties. In contrast to the fast and transient responses elicited from GABA\u003csub\u003eA\u003c/sub\u003e receptors, GABA\u003csub\u003eC\u003c/sub\u003e receptors mediate slow and sustained responses.","Pharmacodynamics":"Picrotoxin is a toxin obtained from the seeds of the shrub \u003ci\u003eAnamirta cocculus\u003c/i\u003e. It is used as a central nervous system stimulant, antidote, convulsant, and GABA (gamma aminobutyric acid) antagonist. It is a noncompetitive antagonist at GABA\u003csub\u003eA\u003c/sub\u003e receptors and thus a convulsant. Picrotoxin blocks the GABA\u003csub\u003eA\u003c/sub\u003ectivated chloride ionophore. Although it is most often used as a research tool, it has been used as a CNS stimulant and an antidote in poisoning by CNS depressants, especially barbiturates.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB00467","Name":"Enoxacin","DrugType":"small molecule","HalfLife":"Plasma half-life is 3 to 6 hours.","Description":"A broad-spectrum 6-fluoronaphthyridinone antibacterial agent (fluoroquinolones) structurally related to nalidixic acid. [PubChem]","Classification":{"Description":"This compound belongs to the naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.","DirectParent":"Naphthyridine Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Naphthyridine Carboxylic Acids and Derivatives"},"Indication":"For the treatment of adults (\u0026ge;18 years of age) with the following infections caused by susceptible strains of the designated microorganisms: (1) uncomplicated urethral or cervical gonorrhea due to \u003ci\u003eNeisseria gonorrhoeae\u003c/i\u003e, (2) uncomplicated urinary tract infections (cystitis) due to \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eStaphylococcus epidermidis\u003c/i\u003e, or \u003ci\u003eStaphylococcus saprophyticus\u003c/i\u003e, and (3) complicated urinary tract infections due to \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, \u003ci\u003eProteus mirabilis\u003c/i\u003e, \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e, \u003ci\u003eStaphylococcus epidermidis\u003c/i\u003e, or \u003ci\u003eEnterobacter cloacae\u003c/i\u003e.","Toxicity":"","MechanismOfAction":"Enoxacin exerts its bactericidal action via the inhibition of the essential bacterial enzyme DNA gyrase (DNA Topoisomerase II).","Pharmacodynamics":"Enoxacin is a quinolone/fluoroquinolone antibiotic. Enoxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase, which allows the untwisting required to replicate one DNA double helix into two. Enoxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria. Enoxacin may be active against pathogens resistant to drugs that act by different mechanisms.","Absorption":"Rapidly absorbed following oral administration, with an absolute oral bioavailability of approximately 90%.","Interactions":[{"ID":"DB01223"},{"ID":"DB01373"},{"ID":"DB00501"},{"ID":"DB06210"},{"ID":"DB00736"},{"ID":"DB00927"},{"ID":"DB00893"},{"ID":"DB00448"},{"ID":"DB01378"},{"ID":"DB00585"},{"ID":"DB00338"},{"ID":"DB01303"},{"ID":"DB00213"},{"ID":"DB01129"},{"ID":"DB00980"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00468","Name":"Quinine","DrugType":"small molecule","HalfLife":"Approximately 18 hours","Description":"An alkaloid derived from the bark of the cinchona tree. It is used as an antimalarial drug, and is the active ingredient in extracts of the cinchona that have been used for that purpose since before 1633. Quinine is also a mild antipyretic and analgesic and has been used in common cold preparations for that purpose. It was used commonly and as a bitter and flavoring agent, and is still useful for the treatment of babesiosis. Quinine is also useful in some muscular disorders, especially nocturnal leg cramps and myotonia congenita, because of its direct effects on muscle membrane and sodium channels. The mechanisms of its antimalarial effects are not well understood. [PubChem]","Classification":{"Description":"This compound belongs to the cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.","DirectParent":"Cinchona Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Cinchona Alkaloids","SubClass":""},"Indication":"For the treatment of malaria and leg cramps","Toxicity":"Quinine is a documented causative agent of drug induced thrombocytopenia (DIT). Thrombocytopenia is a low amount of platelets in the blood. Quinine induces production of antibodies against glycoprotein (GP) Ib-IX complex in the majority of cases of DIT, or more rarely, the platelet-glycoprotein complex GPIIb-IIIa. Increased antibodies against these complexes increases platelet clearance, leading to the observed thrombocytopenia. ","MechanismOfAction":"The theorized mechanism of action for quinine and related anti-malarial drugs is that these drugs are toxic to the malaria parasite. Specifically, the drugs interfere with the parasite's ability to break down and digest hemoglobin. Consequently, the parasite starves and/or builds up toxic levels of partially degraded hemoglobin in itself. ","Pharmacodynamics":"Quinine is used parenterally to treat life-threatening infections caused by chloroquine-resistant Plasmodium falciparum malaria. Quinine acts as a blood schizonticide although it also has gametocytocidal activity against P. vivax and P. malariae. Because it is a weak base, it is concentrated in the food vacuoles of P. falciparum. It is thought to act by inhibiting heme polymerase, thereby allowing accumulation of its cytotoxic substrate, heme. As a schizonticidal drug, it is less effective and more toxic than chloroquine. However, it has a special place in the management of severe falciparum malaria in areas with known resistance to chloroquine.","Absorption":"76 - 88%","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB00289"},{"ID":"DB00732"},{"ID":"DB00266"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB01336"},{"ID":"DB01337"},{"ID":"DB00202"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00342"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00519"},{"ID":"DB00755"},{"ID":"DB01339"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT001044","Name":"Quinine Hydrochloride"},{"ID":"DBSALT000531","Name":"Quinine sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00469","Name":"Tenoxicam","DrugType":"small molecule","HalfLife":"72 hours (range 59 to 74 hours)","Description":"Tenoxicam, an antiinflammatory agent with analgesic and antipyretic properties, is used to treat osteoarthritis and control acute pain.","Classification":{"Description":"This compound belongs to the thienothiazines. These are heterocyclic compounds containing a thiophene ring fused to a thiazine.","DirectParent":"Thienothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienothiazines","SubClass":""},"Indication":"For the treatment of rheumatoid arthritis, osteoarthritis, backache, and pain.","Toxicity":"","MechanismOfAction":"The antiinflammatory effects of tenoxicam may result from the inhibition of the enzyme cycooxygenase and the subsequent peripheral inhibition of prostaglandin synthesis. As prostaglandins sensitize pain receptors, their inhibition accounts for the peripheral analgesic effects of tenoxicam. Antipyresis may occur by central action on the hypothalamus, resulting in peripheral dilation, increased cutaneous blood flow, and subsequent heat loss.","Pharmacodynamics":"Tenoxicam, an antiinflammatory agent with analgesic and antipyretic properties, is used to treat osteoarthritis and control acute pain.","Absorption":"Oral absorption of tenoxicam is rapid and complete (absolute bioavailability 100%).","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB00310"},{"ID":"DB01432"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB00999"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB00524"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00706","Drugs":["DB00142","DB00143","DB00469","DB01373","DB01593","DB04557"]}]},{"ID":"DB00470","Name":"Dronabinol","DrugType":"small molecule","HalfLife":"Alpha phase: approximately 4 hours; Beta phase: 25-36 hours","Description":"A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound. Dronabinol is a synthetic form of delta-9-THC. [PubChem]","Classification":{"Description":"This compound belongs to the naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moeity.","DirectParent":"Naphthopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthopyrans","SubClass":""},"Indication":"For the treatment of anorexia associated with weight loss in patients with AIDS, and nausea and vomiting associated with cancer chemotherapy in patients who have failed to respond adequately to conventional antiemetic treatments","Toxicity":"","MechanismOfAction":"The mechanism of action of marinol is not completely understood. It is thought that cannabinoid receptors in neural tissues may mediate the effects of dronabinol and other cannabinoids. Animal studies with other cannabinoids suggest that marinol's antiemetic effects may be due to inhibition of the vomiting control mechanism in the medulla oblongata.","Pharmacodynamics":"Marinol may has complex effects on the central nervous system (CNS), including cannabinoid receptors. Dronabinol may inhibit endorphins in the emetic center, suppress prostaglandin synthesis, and/or inhibit medullary activity through an unspecified cortical action.","Absorption":"90 - 95%","Interactions":[{"ID":"DB00662"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00471","Name":"Montelukast","DrugType":"small molecule","HalfLife":"2.7-5.5 hours","Description":"Montelukast is a leukotriene receptor antagonist (LTRA) used for the maintenance treatment of asthma and to relieve symptoms of seasonal allergies. It is usually administered orally. Montelukast blocks the action of leukotriene D4 on the cysteinyl leukotriene receptor CysLT1 in the lungs and bronchial tubes by binding to it. This reduces the bronchoconstriction otherwise caused by the leukotriene, and results in less inflammation. Because of its method of operation, it is not useful for the treatment of acute asthma attacks. Again because of its very specific locus of operation, it does not interact with other allergy medications such as theophylline. Montelukast is marketed in United States and many other countries by Merck \u0026amp; Co. with the brand name Singulair®. It is available as oral tablets, chewable tablets, and oral granules. In India and other countries, it is also marketed under the brand name Montair\u0026reg;, produced by Indian company Cipla.","Classification":{"Description":"This compound belongs to the quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.","DirectParent":"Quinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":""},"Indication":"For the treatment of asthma","Toxicity":"Side effects include headache, abdominal or stomach pain, cough, dental pain, dizziness, fever, heartburn, skin rash, stuffy nose, weakness or unusual tiredness.","MechanismOfAction":"Montelukast selectively antagonizes leukotriene D\u003csub\u003e4\u003c/sub\u003e (LTD\u003csub\u003e4\u003c/sub\u003e) at the cysteinyl leukotriene receptor, CysLT\u003csub\u003e1\u003c/sub\u003e, in the human airway. Montelukast inhibits the actions of LTD\u003csub\u003e4\u003c/sub\u003e at the CysLT\u003csub\u003e1\u003c/sub\u003e receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus.","Pharmacodynamics":"Montelukast, like zafirlukast, is a leukotriene receptor antagonist used as an alternative to anti-inflammatory medications in the management and chronic treatment of asthma and exercise-induced bronchospasm (EIB). Unlike zafirlukast, montelukast does not inhibit CYP2C9 or CYP3A4 and is, therefore, not expected to affect the hepatic clearance of drugs metabolized by these enzymes.","Absorption":"Rapidly absorbed following oral administration (bioavailability is 64%)","Interactions":[{"ID":"DB01124"}],"Salts":[{"ID":"DBSALT001043","Name":"Montelukast sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00472","Name":"Fluoxetine","DrugType":"small molecule","HalfLife":"1-3 days [acute administration];\r\n4-6 days [chronic administration];\r\n4-16 days [norfluoxetine, acute and chronic administration]. ","Description":"Fluoxetine hydrochloride is the first agent of the class of antidepressants known as selective serotonin-reuptake inhibitors (SSRIs). Fluoxetine is a racemic mixture of the R- and S- enantiomers and are of equivalent pharmacologic activity. Despite distinct structural differences between compounds in this class, SSRIs possess similar pharmacological activity. As with other antidepressant agents, several weeks of therapy may be required before a clinical effect is seen. SSRIs are potent inhibitors of neuronal serotonin reuptake. They have little to no effect on norepinephrine or dopamine reuptake and do not antagonize \u0026alpha;- or \u0026beta;-adrenergic, dopamine D\u003csub\u003e2\u003c/sub\u003e or histamine H\u003csub\u003e1\u003c/sub\u003e receptors. During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. Chronic use leads to desensitization of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. The overall clinical effect of increased mood and decreased anxiety is thought to be due to adaptive changes in neuronal function that leads to enhanced serotonergic neurotransmission. Side effects include dry mouth, nausea, dizziness, drowsiness, sexual dysfunction and headache. Side effects generally occur within the first two weeks of therapy and are usually less severe and frequent than those observed with tricyclic antidepressants. Fluoxetine may be used to treat major depressive disorder (MDD), moderate to severe bulimia nervosa, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder (PMDD), panic disorder with or without agoraphobia, and in combination with olanzapine for treatment-resistant or bipolar I depression. Fluoxetine is the most anorexic and stimulating SSRI.","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Labeled indication include: major depressive disorder (MDD), moderate to severe bulimia nervosa, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder (PMDD), panic disorder with or without agoraphobia, and combination treatment with olanzapine for treatment-resistant or bipolar I depression. Unlabeled indications include: selective mutism, mild dementia-associated agitation in nonpsychotic patients, post-traumatic stress disorder (PTSD), social anxiety disorder, chronic neuropathic pain, fibromyalgia, and Raynaud's phenomenon. ","Toxicity":"Symptoms of overdose include agitation, restlessness, hypomania, and other signs of CNS excitation. LD\u003csub\u003e50\u003c/sub\u003e=284mg/kg (orally in mice). The most frequent side effects include: nervous system effects such as anxiety, nervousness, insomnia, drowsiness, fatigue or asthenia, tremor, and dizziness or lightheadedness; GI effects such as anorexia, nausea, and diarrhea; vasodilation; dry mouth; abnormal vision; decreased libido; abnormal ejaculation; rash; and sweating. Withdrawal symptoms include flu-like symptoms, insomnia, nausea, imbalance, sensory changes and hyperactivity. ","MechanismOfAction":"Metabolized to norfluoxetine, fluoxetine is a selective serotonin-reuptake inhibitor (SSRI), it blocks the reuptake of serotonin at the serotonin reuptake pump of the neuronal membrane, enhancing the actions of serotonin on 5HT\u003csub\u003e1A\u003c/sub\u003e autoreceptors. SSRIs bind with significantly less affinity to histamine, acetylcholine, and norepinephrine receptors than tricyclic antidepressant drugs.","Pharmacodynamics":"Fluoxetine, an antidepressant agent belonging to the selective serotonin reuptake inhibitors (SSRIs), is used to treat depression, bulimia nervosa, premenstrual dysphoric disorder, panic disorder and post-traumatic stress. According to the amines hypothesis, a functional decrease in the activity of amines, such as serotonin and norepinephrine, would result in depression; a functional increase of the activity of these amines would result in mood elevation. Fluoxetine's effects are thought to be associated with the inhibition of 5HT receptor, which leads to an increase of serotonin level. Antagonism of muscarinic, histaminergic, and α1–adrenergic receptors has been hypothesized to be associated with various anticholinergic, sedative, and cardiovascular effects of classical tricyclic antidepressant (TCA) drugs. Fluoxetine binds to these and other membrane receptors from brain tissue much less potently in vitro than do the tricyclic drugs.","Absorption":"Well absorbed from the GI tract following oral administration. Oral bioavailability is estimated to be at least 60-80%. Peak plasma concentrations occur within 6-8 hours following a single oral administration of a 40 mg dose. The oral solution and delayed-release capsule are bioequivalent. Food does not affect the systemic bioavailability of fluoxetine but it delays the absorption by 1-2 hours (not clinically significant). Prozac Weekly capsules, a delayed–release formulation, contain enteric–coated pellets that resist dissolution until reaching a segment of the gastrointestinal tract where the pH exceeds 5.5. The enteric coating delays the onset of absorption of fluoxetine 1 to 2 hours relative to the immediate–release formulations.","Interactions":[{"ID":"DB01418"},{"ID":"DB00918"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00182"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB00289"},{"ID":"DB00865"},{"ID":"DB00564"},{"ID":"DB01136"},{"ID":"DB01166"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB00091"},{"ID":"DB00434"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00514"},{"ID":"DB00266"},{"ID":"DB00937"},{"ID":"DB00320"},{"ID":"DB01142"},{"ID":"DB00216"},{"ID":"DB00696"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB00574"},{"ID":"DB01320"},{"ID":"DB00998"},{"ID":"DB01381"},{"ID":"DB04946"},{"ID":"DB00458"},{"ID":"DB00046"},{"ID":"DB01247"},{"ID":"DB01321"},{"ID":"DB01009"},{"ID":"DB00601"},{"ID":"DB01356"},{"ID":"DB06708"},{"ID":"DB00579"},{"ID":"DB00532"},{"ID":"DB00933"},{"ID":"DB01577"},{"ID":"DB00264"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB00540"},{"ID":"DB00497"},{"ID":"DB01579"},{"ID":"DB00780"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00252"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB00344"},{"ID":"DB01367"},{"ID":"DB00734"},{"ID":"DB00503"},{"ID":"DB00953"},{"ID":"DB01037"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB01600"},{"ID":"DB00932"},{"ID":"DB00697"},{"ID":"DB01124"},{"ID":"DB00500"},{"ID":"DB01036"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB01361"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000087","Name":"Fluoxetine Hydrochloride "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00646","Drugs":["DB00472"]},{"ID":"SMP00426","Drugs":["DB00368","DB00472","DB00988","DB01345","DB01373"]}]},{"ID":"DB00473","Name":"Hexylcaine","DrugType":"small molecule","HalfLife":"\u003c10 minutes","Description":"Hexylcaine hydrochloride, also called cyclaine (Merck) or osmocaine, is a short-acting local anesthetic. It acts by inhibiting sodium channel conduction. Overdose can lead to headache, tinnitus, numbness and tingling around the mouth and tongue, convulsions, inability to breathe, and decreased heart function. Hexylcaine has been discontinued in the US market. ","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Used as a local anesthetic for surface application, infiltration or nerve block","Toxicity":"Symptoms of anesthetic overdose include headache, tinnitus, circumoral and tongue paresthesias, restlessness, talkativeness, facial twitching, convulsions, respiratory arrest, and cardiac depression","MechanismOfAction":"Hexyl caine acts mainly by inhibiting sodium influx through voltage gated sodium channels in the neuronal cell membrane of peripheral nerves. When the influx of sodium is interrupted, an action potential cannot arise and signal conduction is thus inhibited. The receptor site is thought to be located at the cytoplasmic (inner) portion of the sodium channel.","Pharmacodynamics":"Hexylcaine is a local ester-class anesthetic. Local anesthetics produce a transient block of nerve conduction by interfering with sodium channels. This effect of the anesthetic interferes with the development of an action potential across the nerve.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000630","Name":"Hexylcaine hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00474","Name":"Methohexital","DrugType":"small molecule","HalfLife":"5.6 \u0026plusmn; 2.7 minutes","Description":"An intravenous anesthetic with a short duration of action that may be used for induction of anesthesia. [PubChem]","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Methohexital is indicated for use as an intravenous anaesthetic. It has also been commonly used to induce deep sedation.","Toxicity":"The onset of toxicity following an overdose of intravenously administered methohexital will be within seconds of the infusion. If methohexital is administered rectally or is ingested, the onset of toxicity may be delayed. The manifestations of an ultrashort-acting barbiturate in overdose include central nervous system depression, respiratory depression, hypotension, loss of peripheral vascular resistance, and muscular hyperactivity ranging from twitching to convulsive-like movements. Other findings may include convulsions and allergic reactions. Following massive exposure to any barbiturate, pulmonary edema, circulatory collapse with loss of peripheral vascular tone, and cardiac arrest may occur.","MechanismOfAction":"Methohexital binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Methohexital, a barbiturate, is used for the induction of anesthesia prior to the use of other general anesthetic agents and for induction of anesthesia for short surgical, diagnostic, or therapeutic procedures associated with minimal painful stimuli. Little analgesia is conferred by barbiturates; their use in the presence of pain may result in excitation.","Absorption":"The absolute bioavailability following rectal administration of methohexital is 17%.","Interactions":[{"ID":"DB01223"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00277"},{"ID":"DB00620"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00661"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000631","Name":"Methohexital sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00475","Name":"Chlordiazepoxide","DrugType":"small molecule","HalfLife":"24-48 hours","Description":"An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal. [PubChem]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the management of anxiety disorders or for the short-term relief of symptoms of anxiety, withdrawal symptoms of acute alcoholism, and preoperative apprehension and anxiety.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=537 mg/kg (Orally in rats). Signs of overdose include respiratory depression, muscle weakness, somnolence (general depressed activity).","MechanismOfAction":"Chlordiazepoxide binds to stereospecific benzodiazepine (BZD) binding sites on GABA (A) receptor complexes at several sites within the central nervous system, including the limbic system and reticular formation. This results in an increased binding of the inhibitory neurotransmitter GABA to the GABA(A) receptor.BZDs, therefore, enhance GABA-mediated chloride influx through GABA receptor channels, causing membrane hyperpolarization. The net neuro-inhibitory effects result in the observed sedative, hypnotic, anxiolytic, and muscle relaxant properties.","Pharmacodynamics":"Chlordiazepoxide has antianxiety, sedative, appetite-stimulating and weak analgesic actions. The drug seems to block EEG arousal from stimulation in the brain stem reticular formation. The drug has been studied extensively in many species of animals and these studies are suggestive of action on the limbic system of the brain, which recent evidence indicates is involved in emotional responses. Hostile monkeys were made tame by oral drug doses which did not cause sedation. Chlordiazepoxide revealed a \"taming\" action with the elimination of fear and aggression. The taming effect of chlordiazepoxide was further demonstrated in rats made vicious by lesions in the septal area of the brain. The drug dosage which effectively blocked the vicious reaction was well below the dose which caused sedation in these animals.","Absorption":"","Interactions":[{"ID":"DB00501"},{"ID":"DB00363"},{"ID":"DB00754"},{"ID":"DB00196"},{"ID":"DB01320"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00252"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000632","Name":"Chlordiazepoxide Hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00476","Name":"Duloxetine","DrugType":"small molecule","HalfLife":"12 hours (range 8-17 hours)","Description":"Duloxetine (brand names Cymbalta, Yentreve, and in parts of Europe, Xeristar or Ariclaim) is a drug which primarily targets major depressive disorder (MDD), generalized anxiety disorder (GAD), pain related to diabetic peripheral neuropathy and in some countries stress urinary incontinence (SUI). It is manufactured and marketed by Eli Lilly and Company.\r\n\r\nDuloxetine has not yet been FDA approved for stress urinary incontinence or for fibromyalgia.\r\n\r\nDuloxetine is a selective SNRI (selective serotonin-norepinephrine reuptake inhibitor). Duloxetine is a systemic drug therapy which affects the body as a whole. Known also under the code name LY248686, it is a potent dual reuptake inhibitor of serotonin (5-hydroxytryptamine, 5-HT) and norepinephrine (NE), possessing comparable affinities in binding to NE- and 5-HT transporter sites. It is a less potent inhibitor of dopamine reuptake.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For the acute and maintenance treatment of major depressive disorder (MDD), as well as acute management of generalized anxiety disorder. Also used for the management of neuropathic pain associated with diabetic peripheral neuropathy, and fibromyalgia. Has been used in the management of moderate to severe stress urinary incontinence (SUI) in women.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 491 mg/kg for males and 279 mg/kg for females. Symptoms of overdose include tremors, convulsions, reduced activity, slow pupillary response, intermittent tremors, and rigidity.","MechanismOfAction":"Duloxetine is a potent inhibitor of neuronal serotonin and norepinephrine reuptake and a less potent inhibitor of dopamine reuptake. Duloxetine has no significant affinity for dopaminergic, adrenergic, cholinergic, histaminergic, opioid, glutamate, and GABA receptors. The antidepressant and pain inhibitory actions of duloxetine are believed to be related to its potentiation of serotonergic and noradrenergic activity in the CNS. The mechanism of action of duloxetine in SUI has not been determined, but is thought to be associated with the potentiation of serotonin and norepinephrine activity in the spinal cord, which increases urethral closure forces and thereby reduces involuntary urine loss.","Pharmacodynamics":"Duloxetine is in a class of medications called selective serotonin and norepinephrine reuptake inhibitors (SSNRIs) and primarily targets major depressive disorders (MDD) and stress urinary incontinence (SUI). Duloxetine is also used to treat pain and tingling caused by diabetic neuropathy (damage to nerves that can develop in people who have diabetes). Known also as LY248686, it is a potent dual inhibitor of serotonin (5-hydroxytryptamine, 5-HT) and norepinephrine (NE) reuptake, possessing comparable affinities in binding to NE and 5-HT transport sites. Interestingly, its behavior contrasts to most other dual-reuptake inhibitors. Furthermore, duloxentine lacks affinity for monoamine receptors within the central nervous system.","Absorption":"Orally administered duloxetine hydrochloride is well absorbed.","Interactions":[{"ID":"DB00041"},{"ID":"DB09026"},{"ID":"DB00321"},{"ID":"DB00537"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01195"},{"ID":"DB00176"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB01182"},{"ID":"DB01367"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00857"},{"ID":"DB00730"},{"ID":"DB00679"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000378","Name":"Duloxetine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00477","Name":"Chlorpromazine","DrugType":"small molecule","HalfLife":"~ 30 hours","Description":"The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class, chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking dopamine receptors. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup. [PubChem]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the treatment of schizophrenia, control nausea and vomiting, For relief of restlessness and apprehension before surgery, adjunct in the treatment of tetanus, control the manifestations of the manic type of manic-depressive illness.","Toxicity":"Agitation, coma, convulsions, difficulty breathing, difficulty swallowing, dry mouth, extreme sleepiness, fever, intestinal blockage, irregular heart rate, low blood pressure, restlessness","MechanismOfAction":"Chlorpromazine acts as an antagonist (blocking agent) on different postsysnaptic receptors -on dopaminergic-receptors (subtypes D1, D2, D3 and D4 - different antipsychotic properties on productive and unproductive symptoms), on serotonergic-receptors (5-HT1 and 5-HT2, with anxiolytic, antidepressive and antiaggressive properties as well as an attenuation of extrapypramidal side-effects, but also leading to weight gain, fall in blood pressure, sedation and ejaculation difficulties), on histaminergic-receptors (H1-receptors, sedation, antiemesis, vertigo, fall in blood pressure and weight gain), alpha1/alpha2-receptors (antisympathomimetic properties, lowering of blood pressure, reflex tachycardia, vertigo, sedation, hypersalivation and incontinence as well as sexual dysfunction, but may also attenuate pseudoparkinsonism - controversial) and finally on muscarinic (cholinergic) M1/M2-receptors (causing anticholinergic symptoms like dry mouth, blurred vision, obstipation, difficulty/inability to urinate, sinus tachycardia, ECG-changes and loss of memory, but the anticholinergic action may attenuate extrapyramidal side-effects).\r\nAdditionally, Chlorpromazine is a weak presynaptic inhibitor of Dopamine reuptake, which may lead to (mild) antidepressive and antiparkinsonian effects. This action could also account for psychomotor agitation and amplification of psychosis (very rarely noted in clinical use).","Pharmacodynamics":"Chlorpromazine is a psychotropic agent indicated for the treatment of schizophrenia. It also exerts sedative and antiemetic activity. Chlorpromazine has actions at all levels of the central nervous system-primarily at subcortical levels-as well as on multiple organ systems. Chlorpromazine has strong antiadrenergic and weaker peripheral anticholinergic activity; ganglionic blocking action is relatively slight. It also possesses slight antihistaminic and antiserotonin activity.","Absorption":"Readily absorbed from the GI tract. Bioavailability varies due to first-pass metabolism by the liver. ","Interactions":[{"ID":"DB00182"},{"ID":"DB06697"},{"ID":"DB00865"},{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB01551"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB06708"},{"ID":"DB00579"},{"ID":"DB00933"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB00454"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB00989"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB01036"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000026","Name":"Chlorpromazine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00478","Name":"Rimantadine","DrugType":"small molecule","HalfLife":"25 to 30 hours in young adults (22 to 44 years old). Approximately 32 hours in elderly (71 to 79 years old) and in patients with chronic liver disease. Approximately 13 to 38 hours in children (4 to 8 years old).","Description":"An RNA synthesis inhibitor that is used as an antiviral agent in the prophylaxis and treatment of influenza. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For the prophylaxis and treatment of illness caused by various strains of influenza A virus in adults.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is 640 mg/kg. Overdoses of a related rug, amantadine, have been reported with adverse reactions consisting of agitation, hallucinations, cardiac arrhythmia and death.","MechanismOfAction":"The mechanism of action of rimantadine is not fully understood. Rimantadine appears to exert its inhibitory effect early in the viral replicative cycle, possibly inhibiting the uncoating of the virus. Genetic studies suggest that a virus protein specified by the virion M2 gene plays an important role in the susceptibility of influenza A virus to inhibition by rimantadine.","Pharmacodynamics":"Rimantadine, a cyclic amine, is a synthetic antiviral drug and a derivate of adamantane, like a similar drug amantadine. Rimantadine is inhibitory to the in vitro replication of influenza A virus isolates from each of the three antigenic subtypes (H1N1, H2H2 and H3N2) that have been isolated from man. Rimantadine has little or no activity against influenza B virus. Rimantadine does not appear to interfere with the immunogenicity of inactivated influenza A vaccine.","Absorption":"Well absorbed, with the tablet and syrup formulations being equally absorbed after oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000833","Name":"Rimantadine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00479","Name":"Amikacin","DrugType":"small molecule","HalfLife":"2-3 hours","Description":"Amikacin is a semi-synthetic aminoglycoside antibiotic derived from kanamycin A. Similar to other aminoglycosides, amikacin disrupts bacterial protein synthesis by binding to the 30S ribosome of susceptible organisms. Binding interferes with mRNA binding and tRNA acceptor sites leading to the production of non-functional or toxic peptides. Other mechanisms not fully understood may confer the bactericidal effects of amikacin. Amikacin is also nephrotoxic and ototoxic.","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For short-term treatment of serious infections due to susceptible strains of Gram-negative bacteria, including Pseudomonas species, Escherichia coli, species of indole-positive and indole-negative Proteus, Providencia species, Klebsiella-Enterobacter-Serratia species, and Acinetobacter (Mima-Herellea) species. Amikacin may also be used to treat Mycobacterium avium and Mycobacterium tuberculosis infections.","Toxicity":"Mild and reversible nephrotoxicity may be observed in 5 - 25% of patients. Amikacin accumulates in proximal renal tubular cells. Tubular cell regeneration occurs despite continued drug exposure. Toxicity usually occurs several days following initiation of therapy. \r\nMay cause irreversible ototoxicity. Otoxocity appears to be correlated to cumulative lifetime exposure. Drug accumulation in the endolymph and perilymph of the inner ear causes irreversible damage to hair cells of the cochlea or summit of ampullar cristae in the vestibular complex. High frequency hearing is lost first with progression leading to loss of low frequency hearing. Further toxicity may lead to retrograde degeneration of the 8th cranial (vestibulocochlear) nerve. Vestibular toxicity may cause vertigo, nausea, vomiting, dizziness and loss of balance. ","MechanismOfAction":"Aminoglycosides like Amikacin \"irreversibly\" bind to specific 30S-subunit proteins and 16S rRNA. Amikacin inhibits protein synthesis by binding to the 30S ribosomal subunit to prevent the formation of an initiation complex with messenger RNA. Specifically Amikacin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to interference with the initiation complex, misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes.","Pharmacodynamics":"Amikacin is an aminoglycoside antibiotic. Aminoglycosides work by binding to the bacterial 30S ribosomal subunit, causing misreading of t-RNA, leaving the bacterium unable to synthesize proteins vital to its growth. Aminoglycosides are useful primarily in infections involving aerobic, Gram-negative bacteria, such as Pseudomonas, Acinetobacter, and Enterobacter. In addition, some mycobacteria, including the bacteria that cause tuberculosis, are susceptible to aminoglycosides. Infections caused by Gram-positive bacteria can also be treated with aminoglycosides, but other types of antibiotics are more potent and less damaging to the host. In the past the aminoglycosides have been used in conjunction with penicillin-related antibiotics in streptococcal infections for their synergistic effects, particularly in endocarditis. Aminoglycosides are mostly ineffective against anaerobic bacteria, fungi and viruses.","Absorption":"Rapidly absorbed after intramuscular administration. Rapid absorption occurs from the peritoneum and pleura. Poor oral and topical absorption. Poorly absorbed from bladder irrigations and intrathecal administration. ","Interactions":[{"ID":"DB00732"},{"ID":"DB00887"},{"ID":"DB00456"},{"ID":"DB01326"},{"ID":"DB01139"},{"ID":"DB01327"},{"ID":"DB01328"},{"ID":"DB01329"},{"ID":"DB00923"},{"ID":"DB00493"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB01333"},{"ID":"DB00438"},{"ID":"DB01332"},{"ID":"DB01212"},{"ID":"DB01112"},{"ID":"DB00515"},{"ID":"DB01111"},{"ID":"DB01135"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB01336"},{"ID":"DB01226"},{"ID":"DB01337"},{"ID":"DB01338"},{"ID":"DB00728"},{"ID":"DB00202"},{"ID":"DB00864"},{"ID":"DB01041"},{"ID":"DB01607"},{"ID":"DB00214"},{"ID":"DB01199"},{"ID":"DB01339"}],"Salts":[{"ID":"DBSALT000351","Name":"Amikacin Sulfate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00253","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00479","DB01972","DB02431","DB03685"]}]},{"ID":"DB00480","Name":"Lenalidomide","DrugType":"small molecule","HalfLife":"Healthy subjects = 3 hours;\r\nMultiple myeloma or MDS patients = 3 - 5 hours. ","Description":"Lenalidomide (initially known as CC-5013 and marketed as Revlimid® by Celgene) is a derivative of thalidomide introduced in 2004. It was initially intended as a treatment for multiple myeloma, for which thalidomide is an accepted therapeutic modality, but has also shown efficacy in the hematological disorders known as the myelodysplastic syndromes. [Wikipedia] FDA approved on December 27, 2005. ","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"Lenalidomide is indicated for the treatment of multiple myeloma in combination with dexamethasone. It is also indicated for the treatment of patients with transfusion-dependent anemia due to low- or intermediate- risk myelodysplastic syndromes (MDS) associated with a deletion 5q cytogenetic abnormality with or without additional cytogenetic abnormalities.","Toxicity":"The most frequently reported adverse events were related to blood and lymphatic system disorders, skin and subcutaneous tissue disorders, gastrointestinal disorders, and general disorders and administrative site conditions.","MechanismOfAction":"The mechanism of action of lenalidomide remains to be fully characterized, however it has been demonstrated that lenalidomide inhibits the expression of cyclooxygenase-2 (COX-2), but not COX-1, in vitro. In vivo it induces tumor cell apoptosis directly and indirectly by inhibition of bone marrow stromal cell support, by anti-angiogenic and anti-osteoclastogenic effects, and by immunomodulatory activity","Pharmacodynamics":"Lenalidomide, a thalidomide analogue, is an immunomodulatory agent possessing immunomodulatory and antiangiogenic properties. Lenalidomide inhibits the secretion of pro-inflammatory cytokines and increases the secretion of anti-inflammatory cytokines from peripheral blood mononuclear cells. Lenalidomide inhibits cell proliferation with varying effectiveness (IC50s) in some but not all cell lines. Lenalidomide is effective in inhibiting growth of Namalwa cells (a human B cell lymphoma cell line with a deletion of one chromosome 5) but is much less effective in inhibiting growth of KG-1 cells (human myeloblastic cell line, also with a deletion of one chromosome 5) and other cell lines without chromosome 5 deletions. Lenalidomide does not prolong the QTc interval. ","Absorption":"Rapidly absorbed following oral administration, with maximum plasma concentrations occurring between 0.625 and 1.5 hours post-dose. Co-administration with food does not alter the extent of absorption (AUC) but does reduce the maximal plasma concentration (C\u003csub\u003emax\u003c/sub\u003e) by 36%. The pharmacokinetic disposition of lenalidomide is linear. Accumulation does not occur following multiple doses. ","Interactions":[{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00481","Name":"Raloxifene","DrugType":"small molecule","HalfLife":"27.7","Description":"A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue. [PubChem]","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the prevention and treatment of osteoporosis in post-menopausal women, as well as prevention and treatment of corticosteroid-induced bone loss. Also for the reduction in the incidence of invasive breast cancer in postmenopausal women with osteoporosis or have a high risk for developing breast cancer.","Toxicity":"","MechanismOfAction":"Raloxifene binds to estrogen receptors, resulting in differential expression of multiple estrogen-regulated genes in different tissues. Raloxifene produces estrogen-like effects on bone, reducing resorption of bone and increasing bone mineral density in postmenopausal women, thus slowing the rate of bone loss. The maintenance of bone mass by raloxifene and estrogens is, in part, through the regulation of the gene-encoding transforming growth factor-β3 (TGF-β3), which is a bone matrix protein with antiosteoclastic properties. Raloxifene activates TGF-β3 through pathways that are estrogen receptor-mediated but involve DNA sequences distinct from the estrogen response element. The drug also binds to the estrogen receptor and acts as an estrogen agonist in preosteoclastic cells, which results in the inhibtion of their proliferative capacity. This inhibition is thought to contribute to the drug's effect on bone resorption. Other mechanisms include the suppression of activity of the bone-resorbing cytokine interleukin-6 promoter activity. Raloxifene also antagonizes the effects of estrogen on mammary tissue and blocks uterotrophic responses to estrogen. By competing with estrogens for the estrogen receptors in reproductive tissue, raloxifene prevents the transcriptional activation of genes containing the estrogen response element. As well, raloxifene inhibits the estradiol-dependent proliferation of MCF-7 human mammary tumor cells in vitro. The mechansim of action of raloxifene has not been fully determined, but evidence suggests that the drug's tissue-specific estrogen agonist or antagonist activity is related to the structural differences between the raloxifene-estrogen receptor complex (specifically the surface topography of AF-2) and the estrogen-estrogen receptor complex. Also, the existence of at least 2 estrogen receptors (ERα, ERβ) may contribute to the tissue specificity of raloxifene. ","Pharmacodynamics":"Raloxifene, a selective estrogen receptor modulator (SERM) of the benzothiophene class, is similar to tamoxifen in that it produces estrogen-like effects on bone and lipid metabolism, while antagonizing the effects of estrogen on breast and uterine tissue. Raloxifene differs chemically and pharmacologically from naturally occuring estrogens, synthetic steroidal and nonsteroidal compounds with estrogenic activity, and antiestrogens. Estrogens play an important role in the reproductive, skeletal, cardiovascular, and central nervous systems in women, and act principally by regulating gene expression. When estrogen binds to a ligand-binding domain of the estrogen receptor, biologic response is initiated as a result of a conformational change of the estrogen receptor, which leads to gene transcription through specific estrogen response elements of target gene promoters. The subsequent activation or repression of the target gene is mediated through 2 distinct transactivation domains of the receptor: AF-1 and AF-2. The estrogen receptor also mediates gene transcription using different response elements and other signalling pathways. The role of estrogen as a regulator of bone mass is well established. In postmenopausal women, the progressive loss of bone mass is related to decreased ovarian function and a reduction in the level of circulation estrogens. Estrogen also has favourable effects on blood cholesterol.","Absorption":"Approximately 60% of an oral dose is absorbed, but presystemic glucuronide conjugation is extensive. Absolute bioavailability of raloxifene is 2.0%","Interactions":[{"ID":"DB00269"},{"ID":"DB01432"},{"ID":"DB00882"},{"ID":"DB00930"},{"ID":"DB00375"},{"ID":"DB00286"},{"ID":"DB00255"},{"ID":"DB00783"},{"ID":"DB04573"},{"ID":"DB04574"},{"ID":"DB00977"},{"ID":"DB00451"},{"ID":"DB01357"}],"Salts":[{"ID":"DBSALT000272","Name":"Raloxifene Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00482","Name":"Celecoxib","DrugType":"small molecule","HalfLife":"The effective half-life is approximately 11 hours when a single 200 mg dose is given to healthy subjects. Terminal half-life is generally variable because of the low solubility of the drug thus prolonging absorption. ","Description":"Celecoxib is a non-steroidal anti-inflammatory drug (NSAID) used in the treatment of osteoarthritis, rheumatoid arthritis, acute pain, painful menstruation and menstrual symptoms, and to reduce numbers of colon and rectum polyps in patients with familial adenomatous polyposis. It is marketed by Pfizer under the brand name Celebrex. In some countries, it is branded Celebra. Celecoxib is available by prescription in capsule form.","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"For relief and management of osteoarthritis (OA), rheumatoid arthritis (RA), juvenile rheumatoid arthritis (JRA), ankylosing spondylitis, acute pain, primary dysmenorrhea and oral adjunct to usual care for patients with familial adenomatous polyposis","Toxicity":"Symptoms of overdose include breathing difficulties, coma, drowsiness, gastrointestinal bleeding, high blood pressure, kidney failure, nausea, sluggishness, stomach pain, and vomiting.","MechanismOfAction":"The mechanism of action of celecoxib is believed to be due to inhibition of prostaglandin synthesis. Unlike most NSAIDs, which inhibit both types of cyclooxygenases (COX-1 and COX-2), celecoxib is a selective noncompetitive inhibitor of cyclooxygenase-2 (COX-2) enzyme. It binds with its polar sulfonamide side chain to a hydrophilic side pocket region close to the active COX-2 binding site. Both COX-1 and COX-2 catalyze the conversion of arachidonic acid to prostaglandin (PG) H2, the precursor of PGs and thromboxane.","Pharmacodynamics":"Celecoxib, a selective cyclooxygenase-2 (COX-2) inhibitor, is classified as a nonsteroidal anti-inflammatory drug (NSAID). Celecoxib is used to treat rheumatoid arthritis, osteoarthritis, and familial adenomatous polyposis (FAP). Because of its lack of platelet effects, celecoxib is not a substitute for aspirin for cardiovascular prophylaxis. It is not known if there are any effects of celecoxib on platelets that may contribute to the increased risk of serious cardiovascular thrombotic adverse events associated with the use of celecoxib. Inhibition of PGE2 synthesis may lead to sodium and water retention through increased fluid reabsorption in the renal medullary thick ascending loop of Henle and perhaps other segments of the distal nephron. In the collecting ducts, PGE2 appears to inhibit water reabsorption by counteracting the action of antidiuretic hormone.","Absorption":"Well absorbed in the gastrointestinal tract. When a single dose of 200 mg is given to healthy subjects, peak plasma levels occur 3 hours after an oral dose. The peak plasma level is 705 ng/mL. Absolute bioavailability studies have not been conducted. When multiple doses are given, steady-state is reached on or before Day 5. When taken with a high fat meal, peak plasma levels are delayed for about 1 to 2 hours with an increase in total absorption (AUC) of 10% to 20%.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB00196"},{"ID":"DB01356"},{"ID":"DB06813"},{"ID":"DB01045"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB01124"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00755"},{"ID":"DB06684"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00483","Name":"Gallamine Triethiodide","DrugType":"small molecule","HalfLife":"","Description":"A synthetic nondepolarizing blocking drug. The actions of gallamine triethiodide are similar to those of tubocurarine, but this agent blocks the cardiac vagus and may cause sinus tachycardia and, occasionally, hypertension and increased cardiac output. It should be used cautiously in patients at risk from increased heart rate but may be preferred for patients with bradycardia. (From AMA Drug Evaluations Annual, 1992, p198)","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For use as adjuncts to anesthesia to induce skeletal muscle relaxation and to facilitate the management of patients undergoing mechanical ventilation","Toxicity":"","MechanismOfAction":"It competes with acetylcholine (ACh) molecules and binds to muscarinic acetylcholine receptors on the post-synaptic membrane of the motor endplate. It acts by combining with the cholinergic receptor sites in muscle and competitively blocking the transmitter action of acetylcholine. It blocks the action of ACh and prevents activation of the muscle contraction process. It can also act on nicotinic presynaptic acetylcholine receptors which inhibits the release of ACh.","Pharmacodynamics":"Gallamine Triethiodide is a nondepolarizing neuromuscular blocking drug (NDMRD) used as an adjunct to anesthesia to induce skeletal muscle relaxation. The actions of gallamine triethiodide are similar to those of tubocurarine, but this agent blocks the cardiac vagus and may cause sinus tachycardia and, occasionally, hypertension and increased cardiac output. Muscle groups differ in their sensitivity to these types of relaxants with ocular muscles (controlling eyelids) being most sensitive, followed by the muscles of the neck, jaw, limbs and then abdomen. The diaphragm is the least sensitive muscle to NDMRDs. Although the nondepolarizing neuromuscular blocking drugs do not have the same adverse effects as succinylcholine, their onset of action is slower. They also have a longer duration of action, making them more suitable for maintaining neuromuscular relaxation during major surgical procedures.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001042","Name":"Gallamine Triethiodide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00484","Name":"Brimonidine","DrugType":"small molecule","HalfLife":"2 hours [ophthalmic solution] ","Description":"Brimonidine is a drug used to treat glaucoma. It acts via decreasing aqueous humor synthesis. [Wikipedia] A topical gel formulation, marketed under the name Mirvaso, was FDA approved on August 2013 for the treatment of rosacea. ","Classification":{"Description":"This compound belongs to the quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.","DirectParent":"Quinoxalines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinoxalines"},"Indication":"The ophthalmic solution is indicated for patients with open-angle glaucoma or ocular hypertension to lower intraocular pressure. The topical gel is indicated for the treatment of persistent (nontransient) facial erythema of rosacea in adults 18 years or older. ","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e is 50 mg/kg in mice and 100 mg/kg in rats. Common adverse reactions of the topical gel formulation include erythema, flushing, skin burning sensation, and contact dermatitis. ","MechanismOfAction":"Brimonidine is an alpha adrenergic receptor agonist (primarily alpha-2). It has a peak ocular hypotensive effect occurring at two hours post-dosing. Fluorophotometric studies in animals and humans suggest that Brimonidine has a dual mechanism of action by reducing aqueous humor production and increasing uveoscleral outflow. The topical gel reduces erythema through direct vasocontriction. ","Pharmacodynamics":"Brimonidine significantly lowers intraocular pressure with minimal effects on cardiovascular and pulmonary parameters. It lowers intraocular pressure by reducing aqueous humor production and increasing uveoscleral outflow.","Absorption":"Minimal systemic absorption occurs after ocular insertion. When the topical gel was applied to adult patients with facial erythema associated with rosacea, the plasma maximum concentration (Cmax) and area under the concentration-time curve (AUC) were 46 ± 62 pg/mL and 417 ± 264 pg.hr/mL, respectively. These values were reached on Day 15 of treatment. ","Interactions":[{"ID":"DB09026"},{"ID":"DB00450"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB01403"},{"ID":"DB01171"},{"ID":"DB00780"},{"ID":"DB01168"},{"ID":"DB01367"},{"ID":"DB01037"},{"ID":"DB00752"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000195","Name":"Brimonidine Tartrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00485","Name":"Dicloxacillin","DrugType":"small molecule","HalfLife":"The elimination half-life for dicloxacillin is about 0.7 hour.","Description":"One of the penicillins which is resistant to penicillinase. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to treat infections caused by penicillinase-producing staphylococci which have demonstrated susceptibility to the drug.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat is 3579 mg/kg. Symptoms of overexposure include irritation, rash, labored breathing, hives, itching, wheezing, nausea, chills, and fever.","MechanismOfAction":"Dicloxacillin exerts a bactericidal action against penicillin-susceptible microorganisms during the state of active multiplication. All penicillins inhibit the biosynthesis of the bacterial cell wall. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, dicloxacillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that dicloxacillin interferes with an autolysin inhibitor.","Pharmacodynamics":"Dicloxacillin is a beta-lactamase resistant penicillin similar to oxacillin. Dicloxacillin has \u003ci\u003ein vitro\u003c/i\u003e activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of dicloxacillin results from the inhibition of cell wall synthesis and is mediated through dicloxacillin binding to penicillin binding proteins (PBPs). Dicloxacillin is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases.","Absorption":"Absorption of the isoxazolyl penicillins after oral administration is rapid but incomplete: peak blood levels are achieved in 1-1.5 hours. Oral absorption of cloxacillin, dicloxacillin, oxacillin and nafcillin is delayed when the drugs are administered after meals.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00618"},{"ID":"DB00266"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000495","Name":"Dicloxacillin Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00486","Name":"Nabilone","DrugType":"small molecule","HalfLife":"2 hours, with metabolites around 35 hours.","Description":"Nabilone is a synthetic cannabinoid with therapeutic use as an antiemetic and as an adjunct analgesic for neuropathic pain. It is a synthetic cannabinoid, which mimics the main ingredient of marijuana (THC) but it has more predictable side effects and causes no or minimal euphoria. Nabilone is not derived from the cannabis plant as is dronabinol.\r\n\r\nIn Canada, the United States, the United Kingdom and Mexico, nabilone is marketed as Cesamet. It was approved in 1985 by the United States FDA for treatment of chemotherapy-induced nausea and vomiting that has not responded to conventional antiemetics. Though it was approved by the FDA in 1985, the drug only began marketing in the United States in 2006. It is also approved for use in treatment of anorexia and weight loss in patients with AIDS.\r\n\r\nAlthough it doesn't have the official indication (except in Mexico), nabilone is widely used as an adjunct therapy for chronic pain management. Numerous trials and case studies have demonstrate various benefits for condition such as fibromyalgia and multiple scerosis.\r\n\r\nNabilone is a racemate consisting of the (S,S) and the (R,R) isomers (\"trans\").","Classification":{"Description":"This compound belongs to the naphthopyranones. These are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group.","DirectParent":"Naphthopyranones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthopyrans","SubClass":"Naphthopyranones"},"Indication":"Used for the control of nausea and vomiting, caused by chemotherapeutic agents used in the treatment of cancer, in patients who have failed to respond adequately to conventional antiemetic treatments.","Toxicity":"Symptoms of overdose include difficulty in breathing, hallucinations, mental changes (severe), nervousness or anxiety (severe). Monkeys treated with Nabilone at doses as high as 2mg/kg/day for a year experienced no significant adverse events. This result contrasts with the finding in a planned 1-year dog study that was prematurely terminated because of deaths associated with convulsions in dogs receiving as little as 0.5mg/kg/day. The earliest deaths, however, occurred at 56 days in dogs receiving 2mg/kg/day. The unusual vulnerability of the dog is not understood; it is hypothesised, however, that the explanation lies in the fact that the dog differs markedly from other species (including humans) in its metabolism of Nabilone.","MechanismOfAction":"The mode of action of nabilone has been studied in cats and dogs. Although its anti-emetic action is not yet fully understood, it is apparent that there are a number of points in the control systems of the body at which Nabilone could block the emetic mechanism. It is likely that nabilone exerts its actions via binding to the cannabinoid receptors.","Pharmacodynamics":"Nabilone is a cannabinoid with therapeutic uses. It is an analog of dronabinol (also known as tetrahydrocannabinol or THC), the psychoactive ingredient in cannabis. It is reserved for use in individuals who do not respond to the more commonly used anti-emetics. This is mainly because cannabinoids have potential adverse effects similar to that of cannabis and may cause changes in mood and behaviour.","Absorption":"Rapidly absorbed from the gastrointestinal tract following oral administration.","Interactions":[{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00487","Name":"Pefloxacin","DrugType":"small molecule","HalfLife":"8.6 hours","Description":"A synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria. [PubChem]","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of uncomplicated gonococcal urethritis in males and for gram-negative-bacterial infections in the gastrointestinal system and the genitourinary tract.","Toxicity":"Adverse reactions include peripheral neuropathy, nervousness, agitation, anxiety, and phototoxic events (rash, itching, burning) due to sunlight exposure.","MechanismOfAction":"The bactericidal action of pefloxacin results from interference with the activity of the bacterial enzymes DNA gyrase and topoisomerase IV, which are needed for the transcription and replication of bacterial DNA. DNA gyrase appears to be the primary quinolone target for gram-negative bacteria. Topoisomerase IV appears to be the preferential target in gram-positive organisms. Interference with these two topoisomerases results in strand breakage of the bacterial chromosome, supercoiling, and resealing. As a result DNA replication and transcription is inhibited.","Pharmacodynamics":"Pefloxacin is a fluoroquinolone antibiotic. Flouroquinolones such as pefloxacin possess excellent activity against gram-negative aerobic bacteria such as \u003ci\u003eE.coli\u003c/i\u003e and \u003ci\u003eNeisseria gonorrhoea\u003c/i\u003e as well as gram-positive bacteria including \u003ci\u003eS. pneumoniae\u003c/i\u003e and \u003ci\u003eStaphylococcus aureus\u003c/i\u003e. They also posses effective activity against shigella, salmonella, campylobacter, gonococcal organisms, and multi drug resistant pseudomonas and enterobacter.","Absorption":"Well absorbed by the oral route.","Interactions":[{"ID":"DB01223"},{"ID":"DB01373"},{"ID":"DB00893"},{"ID":"DB01378"},{"ID":"DB01303"},{"ID":"DB00277"}],"Salts":[{"ID":"DBSALT000852","Name":"Pefloxacin mesylate dihydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00488","Name":"Altretamine","DrugType":"small molecule","HalfLife":"4.7-10.2 hours","Description":"An alkylating agent proposed as an antineoplastic. It also acts as a chemosterilant for male houseflies and other insects. [PubChem]","Classification":{"Description":"This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.","DirectParent":"Aminotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazines","SubClass":"Aminotriazines"},"Indication":"For use as a single agent in the palliative treatment of patients with persistent or recurrent ovarian cancer following first-line therapy with a cisplatin and/or alkylating agent-based combination.","Toxicity":"","MechanismOfAction":"The precise mechanism by which altretamine exerts its cytotoxic effect is unknown although it is classified as an alkylating anti-neoplastic agent. Through this mechanism, the drug is metabolized into alkylating agents by N-demethylation. These alkylating species consequently damage tumor cells.","Pharmacodynamics":"Altretamine is a novel antineoplastic agent. The precise mechanism by which altretamine exerts its cytotoxic effect is unknown, although a number of theoretical possibilities have been studied. Structurally, altretamine resembles the alkylating agent triethylenemelamine, yet \u003ci\u003ein vitro\u003c/i\u003e tests for alkylating activity of altretamine and its metabolitics have been negative. Altretamine has been demonstrated to be efficacious for certain ovarian tumors resistant to classical alkylating agents. Metabolism of altretamine is a requirement of cytotoxicity. Synthetic monohydroxymethylmelamines, and products of altretamine metabolism, \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e, can form covalent adducts with tissue macromolecules including DNA, but the relevance of these reactions to antitumor activity is unknown.","Absorption":"","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00489","Name":"Sotalol","DrugType":"small molecule","HalfLife":"Mean elimination half-life is 12 hours. Impaired renal function in geriatric patients can increase the terminal elimination half-life.","Description":"An adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias. [PubChem]","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"For the maintenance of normal sinus rhythm [delay in time to recurrence of atrial fibrillation/atrial flutter (AFIB/AFL)] in patients with symptomatic AFIB/AFL who are currently in sinus rhythm. Also for the treatment of documented life-threatening ventricular arrhythmias.","Toxicity":"The most common signs to be expected are bradycardia, congestive heart failure, hypotension, bronchospasm and hypoglycemia. In cases of massive intentional overdosage (2-16 grams) of sotalol the following clinical findings were seen: hypotension, bradycardia, cardiac asystole, prolongation of QT interval, Torsade de Pointes, ventricular tachy-cardia, and premature ventricular complexes.","MechanismOfAction":"Sotalol has both beta-adrenoreceptor blocking (Vaughan Williams Class I) and cardiac action potential duration prolongation (Vaughan Williams Class I) antiarrhythmic properties. Sotalol is a racemic mixture of d- and l-sotalol. Both isomers have similar Class I antiarrhythmic effects, while the l-isomer is responsible for virtually all of the beta-blocking activity. Sotalol inhibits response to adrenergic stimuli by competitively blocking β\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors within the myocardium and β\u003csub\u003e2\u003c/sub\u003e-adrenergic receptors within bronchial and vascular smooth muscle. The electrophysiologic effects of sotalol may be due to its selective inhibition of the rapidly activating component of the potassium channel involved in the repolarization of cardiac cells. The class II electrophysiologic effects are caused by an increase in sinus cycle length (slowed heart rate), decreased AV nodal conduction, and increased AV nodal refractoriness, while the class III electrophysiological effects include prolongation of the atrial and ventricular monophasic action potentials, and effective refractory period prolongation of atrial muscle, ventricular muscle, and atrio-ventricular accessory pathways (where present) in both the anterograde and retrograde directions. ","Pharmacodynamics":"Sotalol is an antiarrhythmic drug. It falls into the class of beta blockers (and class II antiarrhythmic agents) because of its primary action on the \u0026beta;-adrenergic receptors in the heart. In addition to its actions on the beta receptors in the heart, sotalol inhibits the inward potassium ion channels of the heart. In so doing, sotalol prolongs repolarization, therefore lengthening the QT interval and decreasing automaticity. It also slows atrioventricular (AV) nodal conduction. Because of these actions on the cardiac action potential, it is also considered a class III antiarrhythmic agent. The beta-blocking effect of sotalol is non-cardioselective, half maximal at about 80mg/day and maximal at doses between 320 and 640 mg/day. Sotalol does not have partial agonist or membrane stabilizing activity. Although significant beta-blockade occurs at oral doses as low as 25 mg, significant Class Ieffects are seen only at daily doses of 160 mg and above.","Absorption":"In healthy subjects, the oral bioavailability of sotalol is 90-100%. Absorption is reduced by approximately 20% compared to fasting when administered with a standard meal.","Interactions":[{"ID":"DB00414"},{"ID":"DB01223"},{"ID":"DB06697"},{"ID":"DB00672"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB00696"},{"ID":"DB00199"},{"ID":"DB01288"},{"ID":"DB08868"},{"ID":"DB00983"},{"ID":"DB01044"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB00365"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB01137"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB00968"},{"ID":"DB00247"},{"ID":"DB00218"},{"ID":"DB00816"},{"ID":"DB01303"},{"ID":"DB00236"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB00243"},{"ID":"DB00912"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000318","Name":"Sotalol Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00660","Drugs":["DB00489","DB01345","DB01373"]}]},{"ID":"DB00490","Name":"Buspirone","DrugType":"small molecule","HalfLife":"2-3 hours (although the action of a single dose is much longer than the short halflife indicates).","Description":"An anxiolytic agent and a serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the benzodiazepines, but it has an efficacy comparable to diazepam. [PubChem]","Classification":{"Description":"This compound belongs to the azaspirodecane derivatives. These are organic compounds containing a spirodecane moeity with at least one nitrogen atom.","DirectParent":"Azaspirodecane Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azaspirodecane Derivatives","SubClass":""},"Indication":"For the management of anxiety disorders or the short-term relief of the symptoms of anxiety, and also as an augmention of SSRI-treatment against depression.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e = 136 mg/kg. Symptoms of overdose include dizziness, drowsiness, nausea or vomiting, severe stomach upset, and unusually small pupils.","MechanismOfAction":"Buspirone binds to 5-HT type 1A serotonin receptors on presynaptic neurons in the dorsal raphe and on postsynaptic neurons in the hippocampus, thus inhibiting the firing rate of 5-HT-containing neurons in the dorsal raphe. Buspirone also binds at dopamine type 2 (DA2) receptors, blocking presynaptic dopamine receptors. Buspirone increases firing in the locus ceruleus, an area of brain where norepinephrine cell bodies are found in high concentration. The net result of buspirone actions is that serotonergic activity is suppressed while noradrenergic and dopaminergic cell firing is enhanced.","Pharmacodynamics":"Buspirone is used in the treatment of generalized anxiety where it has advantages over other antianxiety drugs because it does not cause sedation (drowsiness) and does not cause tolerance or physical dependence. Buspirone differs from typical benzodiazepine anxiolytics in that it does not exert anticonvulsant or muscle relaxant effects. It also lacks the prominent sedative effect that is associated with more typical anxiolytics. \u003ci\u003ein vitro\u003c/i\u003e preclinical studies have shown that buspirone has a high affinity for serotonin (5-HT\u003csub\u003e1A\u003c/sub\u003e) receptors. Buspirone has no significant affinity for benzodiazepine receptors and does not affect GABA binding \u003ci\u003ein vitro\u003c/i\u003e or \u003ci\u003ein vivo\u003c/i\u003e when tested in preclinical models. Buspirone has moderate affinity for brain D2-dopamine receptors. Some studies do suggest that buspirone may have indirect effects on other neurotransmitter systems.","Absorption":"Rapidly absorbed in man. Bioavailability is low and variable (approximately 5%) due to extensive first pass metabolism.","Interactions":[{"ID":"DB01211"},{"ID":"DB06700"},{"ID":"DB00343"},{"ID":"DB00199"},{"ID":"DB01247"},{"ID":"DB01321"},{"ID":"DB01149"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00976"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000313","Name":"Buspirone Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00491","Name":"Miglitol","DrugType":"small molecule","HalfLife":"The elimination half-life of miglitol from plasma is approximately 2 hours.","Description":"Miglitol is an oral anti-diabetic drug that acts by inhibiting the ability of the patient to breakdown complex carbohydrates into glucose. It is primarily used in diabetes mellitus type 2 for establishing greater glycemic control by preventing the digestion of carbohydrates (such as disaccharides, oligosaccharides, and polysaccharides) into monosaccharides which can be absorbed by the body.\r\n\r\nMiglitol inhibits glycoside hydrolase enzymes called alpha-glucosidases. Since miglitol works by preventing digestion of carbohydrates, it lowers the degree of postprandial hyperglycemia. It must be taken at the start of main meals to have maximal effect. Its effect will depend on the amount of non-monosaccharide carbohydrates in a person's diet.\r\n\r\nIn contrast to acarbose (another alpha-glucosidase inhibitor), miglitol is systemically absorbed; however, it is not metabolized and is excreted by the kidneys.","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"For use as an adjunct to diet to improve glycemic control in patients with non-insulin-dependent diabetes mellitus (NIDDM) whose hyperglycemia cannot be managed with diet alone.","Toxicity":"Unlike sulfonylureas or insulin, an overdose will not result in hypoglycemia. An overdose may result in transient increases in flatulence, diarrhea, and abdomi-nal discomfort. Because of the lack of extra-intestinal effects seen with miglitol, no serious systemic reactions are expected in the event of an overdose.","MechanismOfAction":"In contrast to sulfonylureas, miglitol does not enhance insulin secretion. The antihyperglycemic action of miglitol results from a reversible inhibition of membrane-bound intestinal a-glucoside hydrolase enzymes. Membrane-bound intestinal a-glucosidases hydrolyze oligosaccharides and disaccharides to glucose and other monosaccharides in the brush border of the small intestine. In diabetic patients, this enzyme inhibition results in delayed glucose absorption and lowering of postprandial hyperglycemia.","Pharmacodynamics":"Miglitol, an oral alpha-glucosidase inhibitor, is a desoxynojirimycin derivative that delays the digestion of ingested carbohydrates, thereby resulting in a smaller rise in blood glucose concentration following meals. As a consequence of plasma glucose reduction, miglitol reduce levels of glycosylated hemoglobin in patients with Type II (non-insulin-dependent) diabetes mellitus. Systemic nonenzymatic protein glycosylation, as reflected by levels of glycosylated hemoglobin, is a function of average blood glucose concentration over time. Because its mechanism of action is different, the effect of miglitol to enhance glycemic control is additive to that of sulfonylureas when used in combination. In addition, miglitol diminishes the insulinotropic and weight-increasing effects of sulfonylureas. Miglitol has minor inhibitory activity against lactase and consequently, at the recommended doses, would not be expected to induce lactose intolerance.","Absorption":"Absorption of miglitol is saturable at high doses with 25 mg being completely absorbed while a 100-mg dose is only 50-70% absorbed. No evidence exists to show that systemic absorption of miglitol adds to its therapeutic effect.","Interactions":[{"ID":"DB01296"},{"ID":"DB00052"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00492","Name":"Fosinopril","DrugType":"small molecule","HalfLife":"12 hours","Description":"Fosinopril is a phosphinic acid-containing ester prodrug that belongs to the angiotensin-converting enzyme (ACE) inhibitor class of medications. It is rapidly hydrolyzed to fosinoprilat, its principle active metabolite. Fosinoprilat inhibits ACE, the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Fosinopril may be used to treat mild to moderate hypertension, as an adjunct in the treatment of congestive heart failure, and to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. ","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treating mild to moderate hypertension, use as an adjunct in treating congestive heart failure, and may be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. ","Toxicity":"Human overdoses of fosinopril have not been reported, but the most common manifestation of human fosinopril overdosage is likely to be hypotension. Oral doses of fosinopril at 2600 mg/kg in rats were associated with significant lethality. The most common adverse effects include dizzines, cough, fatigue, and headache. ","MechanismOfAction":"There are two isoforms of ACE: the somatic isoform, which exists as a glycoprotein comprised of a single polypeptide chain of 1277; and the testicular isoform, which has a lower molecular mass and is thought to play a role in sperm maturation and binding of sperm to the oviduct epithelium. Somatic ACE has two functionally active domains, N and C, which arise from tandem gene duplication. Although the two domains have high sequence similarity, they play distinct physiological roles. The C-domain is predominantly involved in blood pressure regulation while the N-domain plays a role in hematopoietic stem cell differentiation and proliferation. ACE inhibitors bind to and inhibit the activity of both domains, but have much greater affinity for and inhibitory activity against the C-domain. Fosinoprilat, the active metabolite of fosinopril, competes with ATI for binding to ACE and inhibits and enzymatic proteolysis of ATI to ATII. Decreasing ATII levels in the body decreases blood pressure by inhibiting the pressor effects of ATII as described in the Pharmacology section above. Fosinoprilat also causes an increase in plasma renin activity likely due to a loss of feedback inhibition mediated by ATII on the release of renin and/or stimulation of reflex mechanisms via baroreceptors. ","Pharmacodynamics":"Following oral administration, fosinopril is rapidly and completely hydrolyzed to its principle active metabolite, fosinoprilat. Hydrolysis is thought to occur in the gastrointestinal mucosa and liver. Fosinoprilat is a competitive inhibitor of ACE, a peptidyl dipeptidase that is part of the RAAS. The RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from the granular cells of the juxtaglomerular apparatus in the kidneys. In the blood stream, renin cleaves circulating angiotensinogen to ATI, which is subsequently cleaved to ATII by ACE. ATII increases blood pressure using a number of mechanisms. First, it stimulates the secretion of aldosterone from the adrenal cortex. Aldosterone travels to the distal convoluted tubule (DCT) and collecting tubule of nephrons where it increases sodium and water reabsorption by increasing the number of sodium channels and sodium-potassium ATPases on cell membranes. Second, ATII stimulates the secretion of vasopressin (also known as antidiuretic hormone or ADH) from the posterior pituitary gland. ADH stimulates further water reabsorption from the kidneys via insertion of aquaporin-2 channels on the apical surface of cells of the DCT and collecting tubules. Third, ATII increases blood pressure through direct arterial vasoconstriction. Stimulation of the Type 1 ATII receptor on vascular smooth muscle cells leads to a cascade of events resulting in myocyte contraction and vasoconstriction. In addition to these major effects, ATII induces the thirst response via stimulation of hypothalamic neurons. ACE inhibitors inhibit the rapid conversion of ATI to ATII and antagonize RAAS-induced increases in blood pressure. ACE (also known as kininase II) is also involved in the enzymatic deactivation of bradykinin, a vasodilator. Inhibiting the deactivation of bradykinin increases bradykinin levels and may further sustain the effects of fosinoprilat by causing increased vasodilation and decreased blood pressure. ","Absorption":"Average absolute absorption is 36%. The primary site of absorption is the proximal small intestine (duodenum/jejunum). Food slows the rate of absorption with no effect on the extent of absorption. ","Interactions":[{"ID":"DB00594"},{"ID":"DB08822"},{"ID":"DB01395"},{"ID":"DB06196"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00697"},{"ID":"DB00684"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":[{"ID":"DBSALT000193","Name":"Fosinopril Sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00149","Drugs":["DB00492","DB01593"]},{"ID":"SMP00594","Drugs":["DB00492","DB01593"]}]},{"ID":"DB00493","Name":"Cefotaxime","DrugType":"small molecule","HalfLife":"Approximately 1 hour.","Description":"Cefotaxime is a third-generation cephalosporin antibiotic. Like other third-generation cephalosporins, it has broad spectrum activity against Gram positive and Gram negative bacteria. In most cases, it is considered to be equivalent to ceftriaxone in terms of safety and efficacy. Cefotaxime sodium is marketed under various trade names including Claforan (Sanofi-Aventis).","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to treat gonorrhoea, meningitis, and severe infections including infections of the kidney (pyelonephritis) and urinary system. Also used before an operation to prevent infection after surgery.","Toxicity":"Adverse effects following overdosage include nausea, vomiting, epigastric distress, diarrhea, and convulsions. Oral rat LD\u003csub\u003e50\u003c/sub\u003e is over 20,000 mg/kg while intravenous rat LD\u003csub\u003e50\u003c/sub\u003e is over 7,000 mg/kg.","MechanismOfAction":"The bactericidal activity of cefotaxime results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cefotaxime shows high affinity for penicillin-binding proteins in the cell wall including PBP Ib and PBP III.","Pharmacodynamics":"Cefotaxime is a third generation intravenous cephalosporin antibiotic. It has broad spectrum activity against Gram positive and Gram negative bacteria. It does not have activity against \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e. Cefotaxime works by inhibiting bacterial cell wall biosynthesis. A positive feature of cefotaxime is that it display a resistance to penicillinases and is useful to treat infections that are resistant to penicillin derivatives.","Absorption":"Rapidly absorbed following intramuscular injection.","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB01172"},{"ID":"DB00994"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB01082"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000547","Name":"Cefotaxime sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00494","Name":"Entacapone","DrugType":"small molecule","HalfLife":"0.4-0.7 hour","Description":"Entacapone is a selective, reversible catechol-O-methyl transferase (COMT) inhibitor for the treatment of Parkinson's disease. It is a member of the class of nitrocatechols. When administered concomittantly with levodopa and a decarboxylase inhibitor (e.g., carbidopa), increased and more sustained plasma levodopa concentrations are reached as compared to the administration of levodopa and a decarboxylase inhibitor.","Classification":{"Description":"This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids.","DirectParent":"Cinnamic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acid Amides"},"Indication":"Used as an adjunct to levodopa / carbidopa in the symptomatic treatment of patients with idiopathic Parkinson's Disease who experience the signs and symptoms of end-of-dose \"wearing-off\".","Toxicity":"Side effect include increase the occurrence of orthostatic hypotension, severe rhabdomyolysis, dyskinesia, hallucinations, hyperkinesia, hypokinesia, dizziness, fatigu,e gastrointestinal effects including abdominal pain constipation diarrhea nausea","MechanismOfAction":"The mechanism of action of entacapone is believed to be through its ability to inhibit COMT in peripheral tissues, altering the plasma pharmacokinetics of levodopa. When entacapone is given in conjunction with levodopa and an aromatic amino acid decarboxylase inhibitor, such as carbidopa, plasma levels of levodopa are greater and more sustained than after administration of levodopa and an aromatic amino acid decarboxylase inhibitor alone. It is believed that at a given frequency of levodopa administration, these more sustained plasma levels of levodopa result in more constant dopaminergic stimulation in the brain, leading to a greater reduction in the manifestations of parkinsonian syndrome.","Pharmacodynamics":"Entacapone is structurally and pharmacologically related to tolcapone, but unlike tolcapone, is not associated with hepatotoxicity. Entacapone is used in the treatment of Parkinson\u0026rsquo;s disease as an adjunct to levodopa/carbidopa therapy. Entacapone is a selective and reversible inhibitor of catechol-O-methyltransferase (COMT). In mammals, COMT is distributed throughout various organs with the highest activities in the liver and kidney. COMT also occurs in the heart, lung, smooth and skeletal muscles, intestinal tract, reproductive organs, various glands, adipose tissue, skin, blood cells and neuronal tissues, especially in glial cells. COMT catalyzes the transfer of the methyl group of S-adenosyl-L-methionine to the phenolic group of substrates that contain a catechol structure. Physiological substrates of COMT include dopa, catecholamines (dopamine, norepinephrine, and epinephrine) and their hydroxylated metabolites. The function of COMT is the elimination of biologically active catechols and some other hydroxylated metabolites. COMT is responsible for the elimination of biologically active catechols and some other hydroxylated metabolites. In the presence of a decarboxylase inhibitor, COMT becomes the major metabolizing enzyme for levodopa, catalyzing the it to 3-methoxy-4-hydroxy-L-phenylalanine (3-OMD) in the brain and periphery.","Absorption":"Entacapone is rapidly absorbed (approximately 1 hour). The absolute bioavailability following oral administration is 35%.","Interactions":[{"ID":"DB00714"},{"ID":"DB00901"},{"ID":"DB00841"},{"ID":"DB00988"},{"ID":"DB00668"},{"ID":"DB01247"},{"ID":"DB00221"},{"ID":"DB01064"},{"ID":"DB00968"},{"ID":"DB00368"},{"ID":"DB00780"},{"ID":"DB00752"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00495","Name":"Zidovudine","DrugType":"small molecule","HalfLife":"Elimination half life, HIV-infected patients, IV administration = 1.1 hours (range of 0.5 - 2.9 hours) ","Description":"A dideoxynucleoside compound in which the 3\u0026#39;-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Used in combination with other antiretroviral agents for the treatment of human immunovirus (HIV) infections.","Toxicity":"Symptoms of overdose include fatigue, headache, nausea, and vomiting. LD\u003csub\u003e50\u003c/sub\u003e is 3084 mg/kg (orally in mice).","MechanismOfAction":"Zidovudine, a structural analog of thymidine, is a prodrug that must be phosphorylated to its active 5′-triphosphate metabolite, zidovudine triphosphate (ZDV-TP). It inhibits the activity of HIV-1 reverse transcriptase (RT) via DNA chain termination after incorporation of the nucleotide analogue. It competes with the natural substrate dGTP and incorporates itself into viral DNA. It is also a weak inhibitor of cellular DNA polymerase α and γ. ","Pharmacodynamics":"Zidovudine is a nucleoside reverse transcriptase inhibitor (NRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Zidovudine is phosphorylated to active metabolites that compete for incorporation into viral DNA. They inhibit the HIV reverse transcriptase enzyme competitively and act as a chain terminator of DNA synthesis. The lack of a 3'-OH group in the incorporated nucleoside analogue prevents the formation of the 5' to 3' phosphodiester linkage essential for DNA chain elongation, and therefore, the viral DNA growth is terminated.","Absorption":"Rapid and nearly complete absorption from the gastrointestinal tract following oral administration; however, because of first-pass metabolism, systemic bioavailability of zidovudine capsules and solution is approximately 65% (range, 52 to 75%). Bioavailability in neonates up to 14 days of age is approximately 89%, and it decreases to approximately 61% and 65% in neonates over 14 days of age and children 3 months to 12 years, respectively. Administration with a high-fat meal may decrease the rate and extent of absorption.","Interactions":[{"ID":"DB01117"},{"ID":"DB01211"},{"ID":"DB00997"},{"ID":"DB01004"},{"ID":"DB00068"},{"ID":"DB00333"},{"ID":"DB01032"},{"ID":"DB00811"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00649"},{"ID":"DB00932"},{"ID":"DB01610"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00747","Drugs":["DB00495"]}]},{"ID":"DB00496","Name":"Darifenacin","DrugType":"small molecule","HalfLife":"The elimination half-life of darifenacin following chronic dosing is approximately 13-19 hours.","Description":"Darifenacin (Enablex®, Novartis) is a medication used to treat urinary incontinence.\r\n\r\nDarifenacin works by blocking the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions. It thereby decreases the urgency to urinate. It should not be used in people with urinary retention.\r\n\r\nIt is not known whether this selectivity for the M3 receptor translates into any clinical advantage when treating symptoms of overactive bladder syndrome.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency and frequency.","Toxicity":"Overdosage can potentially result in severe central anticholinergic effects.","MechanismOfAction":"Darifenacin selectively antagonizes the muscarinic M3 receptor. M3 receptors are involved in contraction of human bladder and gastrointestinal smooth muscle, saliva production, and iris sphincter function.","Pharmacodynamics":"Darifenacin is a competitive muscarinic receptor antagonist. \u003ci\u003eIn vitro\u003c/i\u003e studies using human recombinant muscarinic receptor subtypes show that darifenacin has greater affinity for the M3 receptor than for the other known muscarinic receptors (9 and 12-fold greater affinity for M3 compared to M1 and M5, respectively, and 59-fold greater affinity for M3 compared to both M2 and M4). Muscarinic receptors play an important role in several major cholinergically mediated functions, including contractions of the urinary bladder smooth muscle and stimulation of salivary secretion. Adverse drug effects such as dry mouth, constipation and abnormal vision may be mediated through effects on M3 receptors in these organs.","Absorption":"The mean oral bioavailability at steady state is estimated to be 15% and 19% for 7.5 mg and 15 mg tablets, respectively.","Interactions":[{"ID":"DB01211"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00193"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT001041","Name":"Darifenacin Hydrobromide"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00497","Name":"Oxycodone","DrugType":"small molecule","HalfLife":"4.5 hours","Description":"Semisynthetic derivative of codeine that acts as a narcotic analgesic more potent and addicting than codeine. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the treatment of diarrhoea, pulmonary oedema and for the relief of moderate to moderately severe pain.","Toxicity":"Symptoms of overdose include respiratory depression, somnolence progressing to stupor or coma, skeletal muscle flaccidity, cold and clammy skin, constricted pupils, bradycardia, hypotension, and death.","MechanismOfAction":"Oxycodone acts as a weak agonist at mu, kappa, and delta opioid receptors within the central nervous system (CNS). Oxycodone primarily affects mu-type opioid receptors, which are coupled with G-protein receptors and function as modulators, both positive and negative, of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine, and noradrenaline is inhibited. Opioids such as oxycodone also inhibit the release of vasopressin, somatostatin, insulin, and glucagon. Opioids close N-type voltage-operated calcium channels (kappa-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (mu and delta receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Oxycodone, a semisynthetic opiate agonist derived from the opioid alkaloid, thebaine, is similar to other phenanthrene derivatives such as hydrocodone and morphine. Oxycodone is available in combination with aspirin or acetaminophen to control pain and restless leg and Tourette syndromes.","Absorption":"Well absorbed with an oral bioavailability of 60% to 87%","Interactions":[{"ID":"DB06274"},{"ID":"DB00501"},{"ID":"DB00215"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00715"},{"ID":"DB01104"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000277","Name":"Oxycodone Hydrochloride"}],"Groups":{"approved":true,"illicit":true,"investigational":true},"Pathways":[{"ID":"SMP00409","Drugs":["DB00368","DB00497","DB00988","DB01345","DB01373"]}]},{"ID":"DB00498","Name":"Phenindione","DrugType":"small molecule","HalfLife":"5-10 hours","Description":"An indandione that has been used as an anticoagulant. Phenindione has actions similar to warfarin, but it is now rarely employed because of its higher incidence of severe adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p234)","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the treatment of pulmonary embolism, cardiomyopathy, atrial fibrillation and flutter, cerebral embolism, mural thrombosis, and thrombophili. Also used for anticoagulant prophylaxis.","Toxicity":"Oral, mouse: LD50 = 175 mg/kg; Oral, rat: LD50 = 163 mg/kg.","MechanismOfAction":"Phenindione inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decreased prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots.","Pharmacodynamics":"Phenindione thins the blood by antagonizing vitamin K which is required for the production of clotting factors in the liver. Anticoagulants such as Phenindione have no direct effect on an established thrombus, nor do they reverse ischemic tissue damage (damage caused by an inadequate blood supply to an organ or part of the body). However, once a thrombus has occurred, the goal of anticoagulant treatment is to prevent further extension of the formed clot and prevent secondary thromboembolic complications which may result in serious and possibly fatal sequelae. Phenindione has actions similar to warfarin, but it is now rarely employed because of its higer incidence of severe adverse effects.","Absorption":"Absorbed slowly from the gastrointestinal tract.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00655","Drugs":["DB00498","DB01373"]}]},{"ID":"DB00499","Name":"Flutamide","DrugType":"small molecule","HalfLife":"The plasma half-life for the alpha-hydroxylated metabolite of flutamide (an active metabolite) is approximately 6 hours.","Description":"An antiandrogen with about the same potency as cyproterone in rodent and canine species.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For the management of locally confined Stage B2-C and Stage D2 metastatic carcinoma of the prostate","Toxicity":"In animal studies with flutamide alone, signs of overdose included hypoactivity, piloerection, slow respiration, ataxia, and/or lacrimation, anorexia, tranquilization, emesis, and methemoglobinemia.","MechanismOfAction":"Flutamide is a nonsteroidal antiandrogen that blocks the action of both endogenous and exogenous testosterone by binding to the androgen receptor. In addition Flutamide is a potent inhibitor of testosterone-stimulated prostatic DNA synthesis. Moreover, it is capable of inhibiting prostatic nuclear uptake of androgen.","Pharmacodynamics":"Flutamide is a nonsteroidal antiandrogen. In animal studies, flutamide demonstrates potent antiandrogenic effects. It exerts its antiandrogenic action by inhibiting androgen uptake and/or by inhibiting nuclear binding of androgen in target tissues or both. Prostatic carcinoma is known to be androgen-sensitive and responds to treatment that counteracts the effect of androgen and/or removes the source of androgen, e.g. castration. Elevations of plasma testosterone and estradiol levels have been noted following flutamide administration.","Absorption":"Rapidly and completely absorbed.","Interactions":[{"ID":"DB00976"},{"ID":"DB00730"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00500","Name":"Tolmetin","DrugType":"small molecule","HalfLife":"Biphasic elimination from the plasma consisting of a rapid phase with a half-life of one to 2 hours followed by a slower phase with a half-life of about 5 hours.","Description":"A non-steroidal anti-inflammatory agent (anti-inflammatory agents, NON-steroidal) similar in mode of action to indomethacin. [PubChem]","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"For the relief of signs and symptoms of rheumatoid arthritis and osteoarthritis, including the treatment of acute flares long-term management. Also for treatment of juvenile rheumatoid arthritis.","Toxicity":"Symptoms of overdose include lethargy, drowsiness, nausea, vomiting, and epigastric pain.","MechanismOfAction":"The mode of action of tolmetin is not known. However, studies in laboratory animals and man have demonstrated that the anti-inflammatory action of tolmetin is not due to pituitary-adrenal stimulation. Tolmetin inhibits prostaglandin synthetase in vitro and lowers the plasma level of prostaglandin E in man. This reduction in prostaglandin synthesis may be responsible for the anti-inflammatory action. Tolmetin does not appear to alter the course of the underlying disease in man.","Pharmacodynamics":"Tolmetin is a nonsteroidal anti-inflammatory agent. Studies in animals have shown tolmetin to possess anti-inflammatory, analgesic and antipyretic activity. In the rat, tolmetin prevents the development of experimentally induced polyarthritis and also decreases established inflammation. In patients with either rheumatoid arthritis or osteaoarthritis, tolmetin is as effective as aspirin and indomethacin in controlling disease activity, but the frequency of the milder gastrointestinal adverse effects and tinnitus was less than in aspirin-treated patients, and the incidence of central nervous system adverse effects was less than in indomethacin-treated patients. In patients with juvenile rheumatoid arthritis, tolmetin is as effective as aspirin in controlling disease activity, with a similar incidence of adverse reactions. tolmetin has produced additional therapeutic benefit when added to a regimen of gold salts and, to a lesser extent, with corticosteroids. Tolmetin should not be used in conjunction with salicylates since greater benefit from the combination is not likely, but the potential for adverse reactions is increased.","Absorption":"Rapidly and almost completely absorbed with peak plasma levels being reached within 30-60 minutes after an oral therapeutic dose.","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB00233"},{"ID":"DB08822"},{"ID":"DB01432"},{"ID":"DB00215"},{"ID":"DB00930"},{"ID":"DB00375"},{"ID":"DB00091"},{"ID":"DB00055"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01381"},{"ID":"DB01404"},{"ID":"DB00465"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB00715"},{"ID":"DB00642"},{"ID":"DB06813"},{"ID":"DB01399"},{"ID":"DB01104"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000496","Name":"Tolmetin Sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00704","Drugs":["DB00142","DB00143","DB00500","DB01373","DB01593","DB04557"]}]},{"ID":"DB00501","Name":"Cimetidine","DrugType":"small molecule","HalfLife":"2 hours","Description":"A histamine congener, it competitively inhibits histamine binding to histamine H2 receptors. Cimetidine has a range of pharmacological actions. It inhibits gastric acid secretion, as well as pepsin and gastrins output. It also blocks the activity of cytochrome P-450 which might explain proposals for use in neoadjuvant therapy. [PubChem]","Classification":{"Description":"This compound belongs to the imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.","DirectParent":"Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"For the treatment and the management of acid-reflux disorders (GERD), peptic ulcer disease, heartburn, and acid indigestion.","Toxicity":"Symptoms of overdose include nausea, vomiting, diarrhea, increased saliva production, difficulty breathing, and a fast heartbeat.","MechanismOfAction":"Cimetidine binds to an H\u003csub\u003e2\u003c/sub\u003e-receptor located on the basolateral membrane of the gastric parietal cell, blocking histamine effects. This competitive inhibition results in reduced gastric acid secretion and a reduction in gastric volume and acidity.","Pharmacodynamics":"Cimetidine is a histamine H\u003csub\u003e2\u003c/sub\u003e-receptor antagonist. It reduces basal and nocturnal gastric acid secretion and a reduction in gastric volume, acidity, and amount of gastric acid released in response to stimuli including food, caffeine, insulin, betazole, or pentagastrin. It is used to treat gastrointestinal disorders such as gastric or duodenal ulcer, gastroesophageal reflux disease, and pathological hypersecretory conditions. Cimetidine inhibits many of the isoenzymes of the hepatic CYP450 enzyme system. Other actions of Cimetidine include an increase in gastric bacterial flora such as nitrate-reducing organisms.","Absorption":"Rapid 60-70%","Interactions":[{"ID":"DB01418"},{"ID":"DB00802"},{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01125"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB06769"},{"ID":"DB01558"},{"ID":"DB00564"},{"ID":"DB00262"},{"ID":"DB01066"},{"ID":"DB00475"},{"ID":"DB01242"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00363"},{"ID":"DB00318"},{"ID":"DB01151"},{"ID":"DB00647"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB00204"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00651"},{"ID":"DB06210"},{"ID":"DB00467"},{"ID":"DB00445"},{"ID":"DB01215"},{"ID":"DB00754"},{"ID":"DB00813"},{"ID":"DB01195"},{"ID":"DB00690"},{"ID":"DB01320"},{"ID":"DB00674"},{"ID":"DB00801"},{"ID":"DB01452"},{"ID":"DB00458"},{"ID":"DB01167"},{"ID":"DB01587"},{"ID":"DB01026"},{"ID":"DB00598"},{"ID":"DB00281"},{"ID":"DB00532"},{"ID":"DB00331"},{"ID":"DB00333"},{"ID":"DB00264"},{"ID":"DB00683"},{"ID":"DB01171"},{"ID":"DB00844"},{"ID":"DB01115"},{"ID":"DB00393"},{"ID":"DB01054"},{"ID":"DB00540"},{"ID":"DB01303"},{"ID":"DB00497"},{"ID":"DB01192"},{"ID":"DB06589"},{"ID":"DB00252"},{"ID":"DB01263"},{"ID":"DB00413"},{"ID":"DB01588"},{"ID":"DB01035"},{"ID":"DB00571"},{"ID":"DB00344"},{"ID":"DB01589"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00989"},{"ID":"DB01656"},{"ID":"DB00203"},{"ID":"DB00708"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00208"},{"ID":"DB00373"},{"ID":"DB00697"},{"ID":"DB00797"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB06684"},{"ID":"DB00682"},{"ID":"DB00962"}],"Salts":[{"ID":"DBSALT000287","Name":"Cimetidine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00617","Drugs":["DB00501"]},{"ID":"SMP00232","Drugs":["DB00501","DB01345","DB01593"]}]},{"ID":"DB00502","Name":"Haloperidol","DrugType":"small molecule","HalfLife":"3 weeks","Description":"A phenyl-piperidinyl-butyrophenone that is used primarily to treat schizophrenia and other psychoses. It is also used in schizoaffective disorder, delusional disorders, ballism, and tourette syndrome (a drug of choice) and occasionally as adjunctive therapy in mental retardation and the chorea of huntington disease. It is a potent antiemetic and is used in the treatment of intractable hiccups. (From AMA Drug Evaluations Annual, 1994, p279)","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"For the management of psychotic disorders (eg. schizophrenia) and delirium, as well as to control tics and vocal utterances of Tourette's syndrome (Gilles de la Tourette's syndrome). Also used for the treatment of severe behavioural problems in children with disrubtive behaviour disorder or ADHD (attention-deficit hyperactivity disorder). Haloperidol has been used in the prevention and control of severe nausea and vomiting.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=165 mg/kg (rats, oral)","MechanismOfAction":"The precise mechanism whereby the therapeutic effects of haloperidol are produced is not known, but the drug appears to depress the CNS at the subcortical level of the brain, midbrain, and brain stem reticular formation. Haloperidol seems to inhibit the ascending reticular activating system of the brain stem (possibly through the caudate nucleus), thereby interrupting the impulse between the diencephalon and the cortex. The drug may antagonize the actions of glutamic acid within the extrapyramidal system, and inhibitions of catecholamine receptors may also contribute to haloperidol's mechanism of action. Haloperidol may also inhibit the reuptake of various neurotransmitters in the midbrain, and appears to have a strong central antidopaminergic and weak central anticholinergic activity. The drug produces catalepsy and inhibits spontaneous motor activity and conditioned avoidance behaviours in animals. The exact mechanism of antiemetic action of haloperidol has also not been fully determined, but the drug has been shown to directly affect the chemoreceptor trigger zone (CTZ) through the blocking of dopamine receptors in the CTZ.","Pharmacodynamics":"Haloperidol is a psychotropic agent indicated for the treatment of schizophrenia. It also exerts sedative and antiemetic activity. Haloperidol principal pharmacological effects are similar to those of piperazine-derivative phenothiazines. The drug has action at all levels of the central nervous system-primarily at subcortical levels-as well as on multiple organ systems. Haloperidol has strong antiadrenergic and weaker peripheral anticholinergic activity; ganglionic blocking action is relatively slight. It also possesses slight antihistaminic and antiserotonin activity.","Absorption":"Oral-60%","Interactions":[{"ID":"DB00517"},{"ID":"DB06697"},{"ID":"DB00289"},{"ID":"DB00572"},{"ID":"DB00245"},{"ID":"DB00810"},{"ID":"DB00564"},{"ID":"DB00771"},{"ID":"DB00363"},{"ID":"DB00804"},{"ID":"DB00392"},{"ID":"DB00196"},{"ID":"DB08909"},{"ID":"DB00986"},{"ID":"DB01170"},{"ID":"DB00725"},{"ID":"DB00424"},{"ID":"DB05039"},{"ID":"DB01625"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01356"},{"ID":"DB06708"},{"ID":"DB04843"},{"ID":"DB00933"},{"ID":"DB00940"},{"ID":"DB00968"},{"ID":"DB01173"},{"ID":"DB00383"},{"ID":"DB00387"},{"ID":"DB00782"},{"ID":"DB00571"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00747"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB01036"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00505"},{"ID":"DB00376"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00503","Name":"Ritonavir","DrugType":"small molecule","HalfLife":"3-5 hours","Description":"An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. [PubChem]","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Indicated in combination with other antiretroviral agents for the treatment of HIV-infection.","Toxicity":"Human experience of acute overdose with ritonavir is limited. One patient in clinical trials took ritonavir 1500 mg/day for two days. The patient reported paresthesias which resolved after the dose was decreased. A post-marketing case of renal failure with eosinophilia has been reported with ritonavir overdose. The approximate lethal dose was found to be greater than 20 times the related human dose in rats and 10 times the related human dose in mice.","MechanismOfAction":"Ritonavir inhibits the HIV viral proteinase enzyme which prevents cleavage of the gag-pol polyprotein, resulting in noninfectious, immature viral particles.","Pharmacodynamics":"Ritonavir is a protease inhibitor with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Protease inhibitors block the part of HIV called protease. HIV-1 protease is an enzyme required for the proteolytic cleavage of the viral polyprotein precursors into the individual functional proteins found in infectious HIV-1. Ritonavir binds to the protease active site and inhibits the activity of the enzyme. This inhibition prevents cleavage of the viral polyproteins resulting in the formation of immature non-infectious viral particles. Protease inhibitors are almost always used in combination with at least two other anti-HIV drugs.","Absorption":"The absolute bioavailability of ritonavir has not been determined.","Interactions":[{"ID":"DB01048"},{"ID":"DB05812"},{"ID":"DB00346"},{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB06605"},{"ID":"DB00673"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB00289"},{"ID":"DB01076"},{"ID":"DB06237"},{"ID":"DB01244"},{"ID":"DB01558"},{"ID":"DB01156"},{"ID":"DB00490"},{"ID":"DB06772"},{"ID":"DB08907"},{"ID":"DB00564"},{"ID":"DB00475"},{"ID":"DB01410"},{"ID":"DB00604"},{"ID":"DB01242"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00363"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB00496"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00647"},{"ID":"DB00829"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB01142"},{"ID":"DB04855"},{"ID":"DB00216"},{"ID":"DB00700"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB00199"},{"ID":"DB01215"},{"ID":"DB00977"},{"ID":"DB00813"},{"ID":"DB01195"},{"ID":"DB00472"},{"ID":"DB00690"},{"ID":"DB08906"},{"ID":"DB02703"},{"ID":"DB00317"},{"ID":"DB00458"},{"ID":"DB05039"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB08882"},{"ID":"DB00227"},{"ID":"DB00358"},{"ID":"DB00333"},{"ID":"DB00683"},{"ID":"DB00540"},{"ID":"DB00334"},{"ID":"DB01303"},{"ID":"DB06589"},{"ID":"DB00454"},{"ID":"DB01100"},{"ID":"DB00554"},{"ID":"DB08901"},{"ID":"DB08901"},{"ID":"DB06209"},{"ID":"DB01182"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB06228"},{"ID":"DB01656"},{"ID":"DB06335"},{"ID":"DB06207"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00906"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB01030"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00504","Name":"Levallorphan","DrugType":"small molecule","HalfLife":"1 hour","Description":"An opioid antagonist with properties similar to those of naloxone; in addition it also possesses some agonist properties. It should be used cautiously; levallorphan reverses severe opioid-induced respiratory depression but may exacerbate respiratory depression such as that induced by alcohol or other non-opioid central depressants. (From Martindale, The Extra Pharmacopoeia, 30th ed, p683)","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the complete or partial reversal of narcotic depression, including respiratory depression, induced by opioids.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 109\u0026plusmn;4 mg/kg","MechanismOfAction":"Levallorphan antagonizes opioid effects by competing for the same receptor sites. It binds to the opioid mu receptor and the nicotinic acetylcholine receptor alpha2/alpha3.","Pharmacodynamics":"Levallorphan, an opioid antagonist similar to naloxone, is used to treat drug overdoses. Levallorphan differs from naloxone in that it also possesses some agonist properties. It is an analogue of levelorphanol that counteracts the actions of narcotic analgesics such as morphine. It is used especially in the treatment of respiratory depression due to narcotic overdoses. Levallorphan prevents or reverses the effects of opioids including respiratory depression, sedation and hypotension. Also, it can reverse the psychotomimetic and dysphoric effects of agonist-antagonists such as pentazocine.","Absorption":"Rapidly absorbed.","Interactions":null,"Salts":[{"ID":"DBSALT001040","Name":"Levallorphan Tartrate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00683","Drugs":["DB00368","DB00504","DB00988","DB01345","DB01373"]}]},{"ID":"DB00505","Name":"Tridihexethyl","DrugType":"small molecule","HalfLife":"","Description":"Tridihexethyl is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract. Tridihexethyl is an antimuscarinic, anticholinergic drug. Tridihexethyl is no longer available in the US market. ","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Used as an adjunct in the treatment of peptic ulcer disease and in Acquired nystagmus","Toxicity":"","MechanismOfAction":"Tridihexethyl binds the muscarinic acetylcholine receptor. It may block all three types of muscarinic receptors including M-1 receptors in the CNS and ganglia, M-2 receptors in the heart (vagus) and M-3 receptors at the parasympathetic NEJ system. The muscarinic acetylcholine receptors mediate various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins. Tridihexethyl inhibits vagally mediated reflexes by antagonizing the action of acetylcholine. This in turn reduces the secretion of gastric acids in the stomach.","Pharmacodynamics":"Tridihexethyl is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract. Tridihexethyl is an antimuscarinic, anticholinergic drug.","Absorption":"","Interactions":[{"ID":"DB00502"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00507","Name":"Nitazoxanide","DrugType":"small molecule","HalfLife":"3.5 hours in patients with normal renal function","Description":"Nitazoxanide, also known by the brand name Alinia, is a synthetic nitrothiazolyl-salicylamide derivative and an anti-protozoal agent. It is approved for treatment of infectious diarrhea caused by Cryptosporidium parvum and Giardia lamblia in patients 1 year of age and older. Following oral administration it is rapidly hydrolyzed to its active metabolite, tizoxanide, which is 99% protein bound. Peak concentrations are observed 1–4 hours after administration. It is excreted in the urine, bile and feces. Untoward effects include abdominal pain, vomiting and diarrhea. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenol esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.","DirectParent":"Phenol Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Esters"},"Indication":"For the treatment of diarrhea in adults and children caused by the protozoa \u003ci\u003eGiardia lamblia\u003c/i\u003e and for the treatment of diarrhea in children caused by the protozoa \u003ci\u003eCryptosporidium parvum\u003c/i\u003e.","Toxicity":"In acute studies in rodents and dogs, the oral LD\u003csub\u003e50\u003c/sub\u003e was higher than 10,000 mg/kg. Single oral doses of up to 4000 mg nitazoxanide have been administered to healthy adult volunteers without significant adverse effects. ","MechanismOfAction":"The antiprotozoal activity of nitazoxanide is believed to be due to interference with the pyruvate:ferredoxin oxidoreductase (PFOR) enzyme-dependent electron transfer reaction which is essential to anaerobic energy metabolism. Studies have shown that the PFOR enzyme from Giardia lamblia directly reduces nitazoxanide by transfer of electrons in the absence of ferredoxin. The DNA-derived PFOR protein sequence of Cryptosporidium parvum appears to be similar to that of Giardia lamblia. Interference with the PFOR enzyme-dependent electron transfer reaction may not be the only pathway by which nitazoxanide exhibits antiprotozoal activity.","Pharmacodynamics":"Nitazoxanide is an antifolate containing the pyrrolopyrimidine-based nucleus that exerts its antineoplastic activity by disrupting folate-dependent metabolic processes essential for cell replication. In vitro studies have shown that nitazoxanide inhibits thymidylate synthase (TS), dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT), all folate-dependent enzymes involved in the de novo biosynthesis of thymidine and purine nucleotides. Nitazoxanide is transported into cells by both the reduced folate carrier and membrane folate binding protein transport systems. Once in the cell, nitazoxanide is converted to polyglutamate forms by the enzyme folylpolyglutamate synthetase. The polyglutamate forms are retained in cells and are inhibitors of TS and GARFT. Polyglutamation is a time- and concentration-dependent process that occurs in tumor cells and, to a lesser extent, in normal tissues. Polyglutamated metabolites have an increased intracellular half-life resulting in prolonged drug action in malignant cells.","Absorption":"The relative bioavailability of the suspension compared to the tablet was 70%. When administered with food the AUC and C\u003csub\u003emax\u003c/sub\u003e increased by two-fold and 50%, respectively, for the tablet and 45 to 50% and \u0026le; 10%, respectively, for the oral suspension.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00508","Name":"Triflupromazine","DrugType":"small molecule","HalfLife":"","Description":"A phenothiazine used as an antipsychotic agent and as an antiemetic. [PubChem]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Used mainly in the management of psychoses. Also used to control nausea and vomiting.","Toxicity":"Symptoms of overdose include agitation, coma, convulsions, difficulty breathing, difficulty swallowing, dry mouth, extreme sleepiness, fever, intestinal blockage, irregular heart rate, low blood pressure, and restlessness.","MechanismOfAction":"Triflupromazine binds to the dopamine D1 and dopamine D2 receptors and inhibits their activity. The mechanism of the anti-emetic effect is due predominantly to blockage of the dopamine D2 neurotransmitter receptors in the chemoreceptor trigger zone (CTZ) and vomiting centre. Triflupromazine blocks the neurotransmitter dopamine and the vagus nerve in the gastrointestinal tract. Triflupromazine also binds the muscarinic acetylcholine receptors (M1 and M2) and the tryptamine D receptors (5HT\u003csub\u003e2B\u003c/sub\u003e).","Pharmacodynamics":"Triflupromazine is a member of a class of drugs called phenthiazines, which are dopamine D1/D2 receptor antagonists. Phenothiazines are used to treat serious mental and emotional disorders, including schizophrenia and other psychotic disorders. It reduces anxiety, emotional withdrawal, hallucinations, disorganized thoughts, blunted mood, and suspiciousness. Triflupromazine is used particularly to control violent behavior during acute episodes of psychotic disorders. It can also be used to control severe nausea and vomiting, severe hiccups, and moderate to severe pain in some hospitalized patients. Triflupromazine acts on the central nervous system.","Absorption":"Absorption may be erratic and peak plasma concentrations show large interindividual differences.","Interactions":[{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB00579"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00342"}],"Salts":[{"ID":"DBSALT001039","Name":"Triflupromazine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00509","Name":"Dextrothyroxine","DrugType":"small molecule","HalfLife":"","Description":"The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (monoiodotyrosine) and the coupling of iodotyrosines (diiodotyrosine) in the thyroglobulin. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form triiodothyronine which exerts a broad spectrum of stimulatory effects on cell metabolism. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"Used to lower high cholesterol levels in the blood.","Toxicity":"Symptoms of dextrothyroxine overdose are unknown.","MechanismOfAction":"Dextrothyroxine is a antihyperlipidemic. The mechanism of action is not completely understood, but dextrothyroxine apparently acts in the liver to stimulate formation of low-density lipoprotein (LDL) and, to a much greater extent, to increase catabolism of LDL. This leads to increased excretion of cholesterol and bile acids via the biliary route into the feces, with a resulting reduction in serum cholesterol and LDL. Dextrothyroxine has no significant effect on high-density lipoproteins (HDL).\r\nInherently, it will also bind to thyroid receptors and as it is a prohormone, it will bind as a substrate to iodide peroxidase.","Pharmacodynamics":"Dextrothyroxine, the dextrorotary isomer of the synthetic thyroxine, is a antihyperlipidemic.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00511","Name":"Acetyldigitoxin","DrugType":"small molecule","HalfLife":"","Description":"Cardioactive derivative of lanatoside A or of digitoxin used for fast digitalization in congestive heart failure.","Classification":{"Description":"This compound belongs to the cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.","DirectParent":"Cardenolide Glycosides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Lactones"},"Indication":"Used for fast digitalization in congestive heart failure.","Toxicity":"Toxicity includes ventricular tachycardia or ventricular fibrillation, or progressive bradyarrhythmias, or heart block. LD50 = 7.8 mg/kg (orally in mice).","MechanismOfAction":"Acetyldigitoxin binds to a site on the extracellular aspect of the \u0026alpha;-subunit of the Na\u003csup\u003e+\u003c/sup\u003e/K\u003csup\u003e+\u003c/sup\u003e ATPase pump in the membranes of heart cells (myocytes). This causes an increase in the level of sodium ions in the myocytes, which then leads to a rise in the level of calcium ions. The proposed mechanism is the following: inhibition of the Na\u003csup\u003e+\u003c/sup\u003e/K\u003csup\u003e+\u003c/sup\u003e pump leads to increased Na\u003csup\u003e+\u003c/sup\u003e levels, which in turn slows down the extrusion of Ca\u003csup\u003e2+\u003c/sup\u003e via the Na\u003csup\u003e+\u003c/sup\u003e/Ca\u003csup\u003e2+\u003c/sup\u003e exchange pump. Increased amounts of Ca\u003csup\u003e2+\u003c/sup\u003e are then stored in the sarcoplasmic reticulum and released by each action potential, which is unchanged by acetyldigitoxin. This is a different mechanism from that of catecholamines. Acetyldigitoxin also increases vagal activity via its central action on the central nervous system, thus decreasing the conduction of electrical impulses through the AV node. This is important for its clinical use in different arrhythmias.","Pharmacodynamics":"The main pharmacological effects of acetyldigitoxin are on the heart. Extracardiac effects are responsible for many of the adverse effects. Its main cardiac effects are 1) a decrease of conduction of electrical impulses through the AV node, making it a commonly used drug in controlling the heart rate during atrial fibrillation or atrial flutter, and 2) an increase of force of contraction via inhibition of the Na\u003csup\u003e+\u003c/sup\u003e/K\u003csup\u003e+\u003c/sup\u003e ATPase pump.","Absorption":"Bioavailability is 60 to 80% following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00512","Name":"Vancomycin","DrugType":"small molecule","HalfLife":"Half-life in normal renal patients is approximately 6 hours (range 4 to 11 hours). In anephric patients, the average half-life of elimination is 7.5 days.","Description":"Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to ristocetin that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear. [PubChem]","Classification":{"Description":"This compound belongs to the cyclic glycopeptides and derivatives. These are compounds containing a a carbohydrate covalently attached to a the backbone of a cyclic peptide.","DirectParent":"Cyclic Glycopeptides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of serious or severe infections caused by susceptible strains of methicillin-resistant (beta-lactam-resistant) staphylococci.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e in mice is 5000 mg/kg. The median lethal intravenous dose is 319 mg/kg in rats and 400 mg/kg in mice.","MechanismOfAction":"The bactericidal action of vancomycin results primarily from inhibition of cell-wall biosynthesis. Specifically, vancomycin prevents incorporation of N-acetylmuramic acid (NAM)- and N-acetylglucosamine (NAG)-peptide subunits from being incorporated into the peptidoglycan matrix; which forms the major structural component of Gram-positive cell walls. The large hydrophilic molecule is able to form hydrogen bond interactions with the terminal D-alanyl-D-alanine moieties of the NAM/NAG-peptides. Normally this is a five-point interaction. This binding of vancomycin to the D-Ala-D-Ala prevents the incorporation of the NAM/NAG-peptide subunits into the peptidoglycan matrix. In addition, vancomycin alters bacterial-cell-membrane permeability and RNA synthesis. There is no cross-resistance between vancomycin and other antibiotics. Vancomycin is not active in vitro against gram-negative bacilli, mycobacteria, or fungi.","Pharmacodynamics":"Vancomycin is a branched tricyclic glycosylated nonribosomal peptide produced by the fermentation of the Actinobacteria species \u003ci\u003eAmycolatopsis orientalis\u003c/i\u003e (formerly \u003ci\u003eNocardia orientalis\u003c/i\u003e). It is often reserved as the \"drug of last resort\", used only after treatment with other antibiotics had failed. Vancomycin has been shown to be active against most strains of the following microorganisms, both in vitro and in clinical infections: \u003ci\u003eListeria monocytogenes\u003c/i\u003e, \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e, \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e (including penicillin-resistant strains), \u003ci\u003eStreptococcus agalactiae\u003c/i\u003e, \u003ci\u003eActinomyces\u003c/i\u003e species, and \u003ci\u003eLactobacillus\u003c/i\u003e species. The combination of vancomycin and an aminoglycoside acts synergistically in vitro against many strains of Staphylococcus aureus, Streptococcus bovis, enterococci, and the viridans group streptococci.","Absorption":"Poorly absorbed from gastrointestinal tract, however systemic absorption (up to 60%) may occur following intraperitoneal administration.","Interactions":[{"ID":"DB01111"},{"ID":"DB05260"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000300","Name":"Vancomycin Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00513","Name":"Aminocaproic Acid","DrugType":"small molecule","HalfLife":"The terminal elimination half-life is approximately 2 hours.","Description":"An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties. [PubChem]","Classification":{"Description":"This compound belongs to the amino fatty acids. These are fatty acids contaning an amine group.","DirectParent":"Amino Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Amino Fatty Acids"},"Indication":"For use in the treatment of excessive postoperative bleeding.","Toxicity":"A few cases of acute overdosage with intravenous administration have been reported. The effects have ranged from no reaction to transient hypotension to severe acute renal failure leading to death. The intravenous and oral LD\u003csub\u003e50\u003c/sub\u003e were 3.0 and 12.0 g/kg respectively in the mouse and 3.2 and 16.4 g/kg respectively in the rat. An intravenous infusion dose of 2.3 g/kg was lethal in the dog.","MechanismOfAction":"Aminocaproic acid binds reversibly to the kringle domain of plasminogen and blocks the binding of plasminogen to fibrin and its activation to plasmin. With NO activation of plasmin, there is a reduction in fibrinolysis. This consequently will reduce the amount of bleeding post surgery. Elevated plasma levels of lipoprotein(a) have been shown to increase the risk of vascular disease. Lipoprotein 9a)a has two components, apolipoprotein B-100, linked to apolipoprotein (a). Aminocaproic acid may change the conformation of apoliprotein (a), changing its binding properties and potentially preventing the formation of lipoprotein (a).","Pharmacodynamics":"Aminocaproic acid works as an antifibrinolytic. It is a derivative of the amino acid lysine. The fibrinolysis-inhibitory effects of aminocaproic acid appear to be exerted principally via inhibition of plasminogen activators and to a lesser degree through antiplasmin activity. Aminocaproic acid may be a possible prophylactic for vascular disease, as it may prevent formation of lipoprotein (a), a risk factor for vascular disease. ","Absorption":"Absorbed rapidly following oral administration. In adults, oral absorption appears to be a zero-order process with an absorption rate of 5.2 g/hr. The mean lag time in absorption is 10 minutes. After a single oral dose of 5 g, absorption was complete (F=1).","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00514","Name":"Dextromethorphan","DrugType":"small molecule","HalfLife":"3-6 hours","Description":"The d-isomer of the codeine analog of levorphanol. Dextromethorphan shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (receptors, N-methyl-D-aspartate) and acts as a non-competitive channel blocker. It is one of the widely used antitussives, and is also used to study the involvement of glutamate receptors in neurotoxicity. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For treatment and relief of dry cough.","Toxicity":"","MechanismOfAction":"Dextromethorphan is an opioid-like drug that binds to and acts as antagonist to the NMDA glutamatergic receptor, it is an agonist to the opioid sigma 1 and sigma 2 receptors, it is also an alpha3/beta4 nicotinic receptor antagonist and targets the serotonin reuptake pump. Dextromethorphan is rapidly absorbed from the gastrointestinal tract, where it enters the bloodstream and crosses the blood-brain barrier. The first-pass through the hepatic portal vein results in some of the drug being metabolized into an active metabolite of dextromethorphan, dextrorphan, the 3-hydroxy derivative of dextromethorphan.","Pharmacodynamics":"Dextromethorphan suppresses the cough reflex by a direct action on the cough center in the medulla of the brain. Dextromethorphan shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist and acts as a non-competitive channel blocker. It is one of the widely used antitussives, and is also used to study the involvement of glutamate receptors in neurotoxicity.","Absorption":"Rapidly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB05812"},{"ID":"DB06700"},{"ID":"DB01341"},{"ID":"DB00472"},{"ID":"DB01247"},{"ID":"DB01171"},{"ID":"DB00715"},{"ID":"DB00780"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01367"},{"ID":"DB01037"},{"ID":"DB01105"},{"ID":"DB00857"},{"ID":"DB06273"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000376","Name":"Dextromethorphan hydrobromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00515","Name":"Cisplatin","DrugType":"small molecule","HalfLife":"Cisplatin decays monoexponentially with a half life of 20 to 30 minutes following administrations of 50 or 100 mg/m^2. Cisplatin has a plasma half-life of 30 minutes. The complexes between albumin and the platinum from cisplatin do not dissociate to a significant extent and are slowly eliminated with a minimum half-life of five days or more.","Description":"Cisplatin, cisplatinum or cis-diamminedichloroplatinum(II) (CDDP) is a platinum-based chemotherapy drug used to treat various types of cancers, including sarcomas, some carcinomas (e.g. small cell lung cancer, and ovarian cancer), lymphomas and germ cell tumors. It was the first member of its class, which now also includes carboplatin and oxaliplatin.","Classification":{"Description":"This compound belongs to the transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a transition metal.","DirectParent":"Transition Metal Chlorides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Salts","SubClass":"Transition Metal Chlorides"},"Indication":"For the treatment of metastatic testicular tumors, metastatic ovarian tumors and advanced bladder cancer.","Toxicity":"","MechanismOfAction":"Alkylating agents work by three different mechanisms: 1) attachment of alkyl groups to DNA bases, resulting in the DNA being fragmented by repair enzymes in their attempts to replace the alkylated bases, preventing DNA synthesis and RNA transcription from the affected DNA, 2) DNA damage via the formation of cross-links (bonds between atoms in the DNA) which prevents DNA from being separated for synthesis or transcription, and 3) the induction of mispairing of the nucleotides leading to mutations.","Pharmacodynamics":"Cisplatin is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death.","Absorption":"Following cisplatin doses of 20 to 120 mg/m^2, the concentrations of platinum are highest in liver, prostate, and kidney; somewhat lower in bladder, muscle, testicle, pancreas, and spleen; and lowest in bowel, adrenal, heart, lung, cerebrum, and cerebellum. Platinum is present in tissues for as long as 180 days after the last administration.","Interactions":[{"ID":"DB00479"},{"ID":"DB06769"},{"ID":"DB00887"},{"ID":"DB06772"},{"ID":"DB01248"},{"ID":"DB00903"},{"ID":"DB01320"},{"ID":"DB00695"},{"ID":"DB00798"},{"ID":"DB01097"},{"ID":"DB00563"},{"ID":"DB00108"},{"ID":"DB00955"},{"ID":"DB01229"},{"ID":"DB00252"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB00864"},{"ID":"DB00684"},{"ID":"DB01030"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00516","Name":"Bentoquatam","DrugType":"small molecule","HalfLife":"","Description":"Bentoquatam is a topical medication intended to act as a shield against exposure to the irritating substance urushiol, found in plants such as poison ivy or poison oak. Bentoquatam contains bentonite, a clay, and is only effective as long as the film is visible on the skin.","Classification":{"Description":"This compound belongs to the metalloid aluminates. These are inorganic compounds in which the largest oxoanion is aluminate, and in which the heaviest atom not in an oxoanion is a metalloid metal.","DirectParent":"Metalloid Aluminates","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Metalloid Oxoanionic Compounds","SubClass":"Metalloid Aluminates"},"Indication":"Used to prevent or reduce the severity of allergic contact dermatitis due to urushiol, the allergenic resin of poison ivy, poison oak, and poison sumac.","Toxicity":"Rare side effects include mild erythema (mild redness of skin).","MechanismOfAction":"The mechanism of action is unknown. It is thought topically applied bentoquatam acts as a physical barrier that interferes with the adsorption of antigens onto the skin and reduces absorption of antigens into the skin. It probably does not work by modifying the systemic allergic response.","Pharmacodynamics":"Bentoquatam protects the skin like a shield against poison ivy, poison oak, and poison sumac by physically blocking skin contact with their resin. The best protection against getting these conditions is to avoid contact with these plants. This medicine does not dry oozing and weeping caused by the rash of poison ivy, poison oak, or poison sumac.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00517","Name":"Anisotropine Methylbromide","DrugType":"small molecule","HalfLife":"Not Known","Description":"Anisotropine methylbromide is a quaternary ammonium compound. Its use as treatment adjunct in peptic ulcer has been replaced by the use of more effective agents. Depending on the dose, anisotropine methylbromide may reduce the motility and secretory activity of the gastrointestinal system, and the tone of the ureter and urinary bladder and may have a slight relaxant action on the bile ducts and gallbladder. In general, smaller doses of anisotropine methylbromide inhibit salivary and bronchial secretions, sweating, and accommodation; cause dilatation of the pupil; and increase the heart rate. Larger doses are required to decrease motility of the gastrointestinal and urinary tracts and to inhibit gastric acid secretion.","Classification":{"Description":"This compound belongs to the tropanes. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.","DirectParent":"Tropanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tropanes","SubClass":""},"Indication":"For use in conjunction with antacids or histamine H\u003csub\u003e2\u003c/sub\u003e-receptor antagonists in the treatment of peptic ulcer, to reduce further gastric acid secretion and delay gastric emptying.","Toxicity":"","MechanismOfAction":"Quaternary ammonium compounds such as anisotropine methylbromide inhibit the muscarinic actions of acetylcholine on structures innervated by postganglionic cholinergic nerves as well as on smooth muscles that respond to acetylcholine but lack cholinergic innervation. These postganglionic receptor sites are present in the autonomic effector cells of the smooth muscle, cardiac muscle, sinoatrial and atrioventricular nodes, and exocrine glands.","Pharmacodynamics":"Anisotropine methylbromide is a quaternary ammonium compound. Its use as treatment adjunct in peptic ulcer has been replaced by the use of more effective agents. Depending on the dose, anisotropine methylbromide may reduce the motility and secretory activity of the gastrointestinal system, and the tone of the ureter and urinary bladder and may have a slight relaxant action on the bile ducts and gallbladder. In general, smaller doses of anisotropine methylbromide inhibit salivary and bronchial secretions, sweating, and accommodation; cause dilatation of the pupil; and increase the heart rate. Larger doses are required to decrease motility of the gastrointestinal and urinary tracts and to inhibit gastric acid secretion.","Absorption":"Gastrointestinal absorption is poor and irregular. Total absorption after an oral dose is about 10 to 25%.","Interactions":[{"ID":"DB00502"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00518","Name":"Albendazole","DrugType":"small molecule","HalfLife":"Terminal elimination half-life ranges from 8 to 12 hours (single dose, 400mg).","Description":"A benzimidazole broad-spectrum anthelmintic structurally related to mebendazole that is effective against many diseases. (From Martindale, The Extra Pharmacopoeia, 30th ed, p38)","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"For the treatment of parenchymal neurocysticercosis due to active lesions caused by larval forms of the pork tapeworm, \u003ci\u003eTaenia solium\u003c/i\u003e and for the treatment of cystic hydatid disease of the liver, lung, and peritoneum, caused by the larval form of the dog tapeworm, \u003ci\u003eEchinococcus granulosus\u003c/i\u003e.","Toxicity":"Symptoms of overdose include elevated liver enzymes, headaches, hair loss, low levels of white blood cells (neutropenia), fever, and itching.","MechanismOfAction":"Albendazole causes degenerative alterations in the tegument and intestinal cells of the worm by binding to the colchicine-sensitive site of tubulin, thus inhibiting its polymerization or assembly into microtubules. The loss of the cytoplasmic microtubules leads to impaired uptake of glucose by the larval and adult stages of the susceptible parasites, and depletes their glycogen stores. Degenerative changes in the endoplasmic reticulum, the mitochondria of the germinal layer, and the subsequent release of lysosomes result in decreased production of adenosine triphosphate (ATP), which is the energy required for the survival of the helminth. Due to diminished energy production, the parasite is immobilized and eventually dies.","Pharmacodynamics":"Albendazole is a broad-spectrum anthelmintic. The principal mode of action for albendazole is by its inhibitory effect on tubulin polymerization which results in the loss of cytoplasmic microtubules.","Absorption":"Poorly absorbed from the gastrointestinal tract due to its low aqueous solubility. Oral bioavailability appears to be enhanced when coadministered with a fatty meal (estimated fat content 40 g)","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00519","Name":"Trandolapril","DrugType":"small molecule","HalfLife":"The elimination half lives of trandolapril and trandolaprilat are about 6 and 10 hours, respectively, but, similar to all ACE inhibitors, trandolaprilat also has a prolonged terminal elimination phase that involves a small fraction of administered drug. This likely represents drug binding to plasma and tissue ACE. The effective half life of elimination for trandolaprilat is 16-24 hours. ","Description":"Trandolapril is a non-sulhydryl prodrug that belongs to the angiotensin-converting enzyme (ACE) inhibitor class of medications. It is metabolized to its biologically active diacid form, trandolaprilat, in the liver. Trandolaprilat inhibits ACE, the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Trandolapril may be used to treat mild to moderate hypertension, to improve survival following myocardial infarction in clinically stable patients with left ventricular dysfunction, as an adjunct treatment for congestive heart failure, and to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. ","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of mild to moderate hypertension, as an adjunct in the treatment of congestive heart failure (CHF), to improve survival following myocardial infarction (MI) in individuals who are hemodynamically stable and demonstrate symptoms of left ventricular systolic dysfunction or signs of CHF within a few days following acute MI, and to slow progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy. ","Toxicity":"Most likely clinical manifestations of overdose are symptoms of severe hypotension. Most common adverse effects include cough, headache and dizziness. The oral LD\u003csub\u003e50\u003c/sub\u003e of trandolapril in mice was 4875 mg/kg in males and 3990 mg/kg in females. In rats, an oral dose of 5000 mg/kg caused low mortality (1 male out of 5; 0 females). In dogs, an oral dose of 1000 mg/kg did not cause mortality and abnormal clinical signs were not observed.","MechanismOfAction":"There are two isoforms of ACE: the somatic isoform, which exists as a glycoprotein comprised of a single polypeptide chain of 1277; and the testicular isoform, which has a lower molecular mass and is thought to play a role in sperm maturation and binding of sperm to the oviduct epithelium. Somatic ACE has two functionally active domains, N and C, which arise from tandem gene duplication. Although the two domains have high sequence similarity, they play distinct physiological roles. The C-domain is predominantly involved in blood pressure regulation while the N-domain plays a role in hematopoietic stem cell differentiation and proliferation. ACE inhibitors bind to and inhibit the activity of both domains, but have much greater affinity for and inhibitory activity against the C-domain. Trandolaprilat, the active metabolite of trandolapril, competes with ATI for binding to ACE and inhibits and enzymatic proteolysis of ATI to ATII. Decreasing ATII levels in the body decreases blood pressure by inhibiting the pressor effects of ATII as described in the Pharmacology section above. Trandolaprilat also causes an increase in plasma renin activity likely due to a loss of feedback inhibition mediated by ATII on the release of renin and/or stimulation of reflex mechanisms via baroreceptors. ","Pharmacodynamics":"Trandolapril is the ethyl ester prodrug of a nonsulfhydryl ACE inhibitor, trandolaprilat. Trandolapril is deesterified in the liver to the diacid metabolite, trandolaprilat, which is approximately eight times more active as an inhibitor of ACE than its parent compound. ACE is a peptidyl dipeptidase that is part of the RAAS. The RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from the granular cells of the juxtaglomerular apparatus in the kidneys. In the blood stream, renin cleaves circulating angiotensinogen to ATI, which is subsequently cleaved to ATII by ACE. ATII increases blood pressure via a number of mechanisms. First, it stimulates the secretion of aldosterone from the adrenal cortex. Aldosterone travels to the distal convoluted tubule (DCT) and collecting tubule of nephrons where it increases sodium and water reabsorption by increasing the number of sodium channels and sodium-potassium ATPases on cell membranes. Second, ATII stimulates the secretion of vasopressin (also known as antidiuretic hormone or ADH) from the posterior pituitary gland. ADH stimulates further water reabsorption from the kidneys via insertion of aquaporin-2 channels on the apical surface of cells of the DCT and collecting tubules. Third, ATII increases blood pressure through direct arterial vasoconstriction. Stimulation of the Type 1 ATII receptor on vascular smooth muscle cells leads to a cascade of events resulting in myocyte contraction and vasoconstriction. In addition to these major effects, ATII induces the thirst response via stimulation of hypothalamic neurons. ACE inhibitors inhibit the rapid conversion of ATI to ATII and antagonize RAAS-induced increases in blood pressure. ACE (also known as kininase II) is also involved in the enzymatic deactivation of bradykinin, a vasodilator. Inhibiting the deactivation of bradykinin increases bradykinin levels and may further sustain the effects of trandolaprilat by causing increased vasodilation and decreased blood pressure. The blood pressure lowering effect of trandolaprilat is due to a decrease in peripheral vascular resistance, which is not accompanied by significant changes in urinary excretion of chloride or potassium or water or sodium retention. ","Absorption":"~ 40-60% absorbed; extensive first pass metabolism results in a low bioavailability of 4-14%","Interactions":[{"ID":"DB00945"},{"ID":"DB00437"},{"ID":"DB01143"},{"ID":"DB00594"},{"ID":"DB00233"},{"ID":"DB00993"},{"ID":"DB08822"},{"ID":"DB00436"},{"ID":"DB00865"},{"ID":"DB00887"},{"ID":"DB00796"},{"ID":"DB00482"},{"ID":"DB00880"},{"ID":"DB00310"},{"ID":"DB00091"},{"ID":"DB01576"},{"ID":"DB01119"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB01395"},{"ID":"DB01363"},{"ID":"DB00700"},{"ID":"DB01240"},{"ID":"DB00876"},{"ID":"DB00903"},{"ID":"DB00749"},{"ID":"DB00573"},{"ID":"DB00712"},{"ID":"DB00695"},{"ID":"DB01404"},{"ID":"DB00999"},{"ID":"DB00774"},{"ID":"DB01050"},{"ID":"DB06196"},{"ID":"DB01088"},{"ID":"DB00808"},{"ID":"DB00328"},{"ID":"DB01029"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB01255"},{"ID":"DB01356"},{"ID":"DB00678"},{"ID":"DB01283"},{"ID":"DB00939"},{"ID":"DB00784"},{"ID":"DB00814"},{"ID":"DB01577"},{"ID":"DB00232"},{"ID":"DB00422"},{"ID":"DB00524"},{"ID":"DB00461"},{"ID":"DB00788"},{"ID":"DB00275"},{"ID":"DB00991"},{"ID":"DB01579"},{"ID":"DB00191"},{"ID":"DB00554"},{"ID":"DB01324"},{"ID":"DB01345"},{"ID":"DB00761"},{"ID":"DB00468"},{"ID":"DB00073"},{"ID":"DB01399"},{"ID":"DB00877"},{"ID":"DB01390"},{"ID":"DB00421"},{"ID":"DB00605"},{"ID":"DB00966"},{"ID":"DB06287"},{"ID":"DB01600"},{"ID":"DB00697"},{"ID":"DB00500"},{"ID":"DB00214"},{"ID":"DB00374"},{"ID":"DB00384"},{"ID":"DB01021"},{"ID":"DB00440"},{"ID":"DB00177"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00599","Drugs":["DB00519","DB01593"]},{"ID":"SMP00157","Drugs":["DB00519","DB01593"]}]},{"ID":"DB00520","Name":"Caspofungin","DrugType":"small molecule","HalfLife":"9-11 hours","Description":"Caspofungin (brand name Cancidas worldwide) is an antifungal drug, the first of a new class termed the echinocandins from Merck \u0026 Co., Inc. It shows activity against infections with Aspergillus and Candida, and works by inhibiting β(1,3)-D-Glucan of the fungal cell wall. Caspofungin is administered intravenously.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of esophageal candidiasis and invasive aspergillosis in patients who are refractory to or intolerant of other therapies.","Toxicity":"Side effects include rash, swelling, and nausea (rare)","MechanismOfAction":"Caspofungin inhibits the synthesis of beta-(1,3)-D-glucan, an essential component of the cell wall of \u003ci\u003eAspergillus\u003c/i\u003e species and \u003ci\u003eCandida\u003c/i\u003e species. beta-(1,3)-D-glucan is not present in mammalian cells. The primary target is beta-(1,3)-glucan synthase.","Pharmacodynamics":"Caspofungin is an antifungal drug, and belongs to a new class termed the echinocandins. It is used to treat \u003ci\u003eAspergillus\u003c/i\u003e and \u003ci\u003eCandida\u003c/i\u003e infection, and works by inhibiting cell wall synthesis. Antifungals in the echinocandin class inhibit the synthesis of glucan in the cell wall, probably via the enzyme 1,3-beta glucan synthase. There is a potential for resistance development to occur, however \u003ci\u003ein vitro\u003c/i\u003e resistance development to Caspofungin by Aspergillus species has not been studied.","Absorption":"92% tissue distribution within 36-48 hours after intravenous infusion","Interactions":[{"ID":"DB00091"},{"ID":"DB01045"},{"ID":"DB00864"}],"Salts":[{"ID":"DBSALT000020","Name":"Caspofungin acetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00521","Name":"Carteolol","DrugType":"small molecule","HalfLife":"","Description":"A beta-adrenergic antagonist used as an anti-arrhythmia agent, an anti-angina agent, an antihypertensive agent, and an antiglaucoma agent. [PubChem]","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"For the treatment of intraocular hypertension and chronic open-angle glaucoma","Toxicity":"The most common effects expected with overdosage of a beta-adrenergic blocking agent are bradycardia, bronchospasm, congestive heart failure and hypotension.","MechanismOfAction":"The primary mechanism of the ocular hypotensive action of carteolol in reducing intraocular pressure is most likely a decrease in aqueous humor production. This process is initiated by the non-selective beta1 and beta2 adrenergic receptor blockade.","Pharmacodynamics":"Carteolol is a beta1 and beta2 (non-selective) adrenergic receptor-blocking agent that does not have significant intrinsic sympathomimetic, direct myocardial depressant, or local anesthetic (membrane-stabilizing) activity. Carteolol, when applied topically to the eye, has the action of reducing elevated, as well as normal, intraocular pressure, whether or not accompanied by glaucoma. Elevated intraocular pressure is a major risk factor in the pathogenesis of glaucomatous visual field loss and optic nerve damage. Carteolol reduces intraocular pressure with little or no effect on pupil size or accommodation in contrast to the miosis which cholinergic agents are known to produce.","Absorption":"","Interactions":[{"ID":"DB00414"},{"ID":"DB01223"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB00968"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB01303"},{"ID":"DB00236"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB00912"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00277"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000319","Name":"Carteolol Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00658","Drugs":["DB00521","DB01345","DB01373"]}]},{"ID":"DB00522","Name":"Bentiromide","DrugType":"small molecule","HalfLife":"","Description":"Bentiromide is a peptide used as a screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy. It is given by mouth as a noninvasive test. The amount of 4-aminobenzoic acid and its metabolites excreted in the urine is taken as a measure of the chymotrypsin-secreting activity of the pancreas. Headache and gastrointestinal disturbances have been reported in patients taking bentiromide. Bentiromide is not available in the U.S. or Canada (It was withdrawn in the US in October 1996).","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used as a screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy.","Toxicity":"Symptoms of overdose include shortness of breath and troubled breathing.","MechanismOfAction":"Bentiromide is a peptide that is broken down in the pancreas by chymotrypsin. By determining the output of unchanged bentiromide in the urine following oral administration, it is possible to determine the sufficiency of pancreatic activity.","Pharmacodynamics":"Bentiromide is a peptide used as a screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy. It is given by mouth as a noninvasive test. The amount of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid and its metabolites excreted in the urine is taken as a measure of the chymotrypsin-secreting activity of the pancreas. Headache and gastrointestinal disturbances have been reported in patients taking bentiromide. Bentiromide is not available in the U.S. or Canada.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00523","Name":"Alitretinoin","DrugType":"small molecule","HalfLife":"","Description":"An important regulator of gene expression during growth and development, and in neoplasms. Tretinoin, also known as retinoic acid and derived from maternal vitamin A, is essential for normal growth; and embryonic development. An excess of tretinoin can be teratogenic. It is used in the treatment of psoriasis; acne vulgaris; and several other skin diseases. It has also been approved for use in promyelocytic leukemia (leukemia, promyelocytic, acute). [PubChem]","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"For topical treatment of cutaneous lesions in patients with AIDS-related Kaposi's sarcoma.","Toxicity":"","MechanismOfAction":"Alitretinoin binds to and activates all known intracellular retinoid receptor subtypes (RARa, RARb, RARg, RXRa, RXRb and RXRg). Once activated these receptors function as transcription factors that regulate the expression of genes that control the process of cellular differentiation and proliferation in both normal and neoplastic cells.","Pharmacodynamics":"Alitretinoin (9-\u003ci\u003ecis\u003c/i\u003e-retinoic acid) is a naturally-occurring endogenous retinoid indicated for topical treatment of cutaneous lesions in patients with AIDS-related Kaposi's sarcoma. Alitretinoin inhibits the growth of Kaposi's sarcoma (KS) cells \u003ci\u003ein vitro\u003c/i\u003e.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00524","Name":"Metolazone","DrugType":"small molecule","HalfLife":"Approximately 14 hours.","Description":"A quinazoline-sulfonamide that is considered a thiazide-like diuretic which is long-acting so useful in chronic renal failure. It also tends to lower blood pressure and increase potassium loss. [PubChem]","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For the treatment of hypertension, alone or in combination with other antihypertensive drugs of a different class.","Toxicity":"Symptoms of overdose include difficulty breathing, dizziness, dizziness on standing up, drowsiness, fainting, irritation of the stomach and intestines, and lethargy leading to coma.","MechanismOfAction":"The actions of metolazone result from interference with the renal tubular mechanism of electrolyte reabsorption. Metolazone acts primarily to inhibit sodium reabsorption at the cortical diluting site and to a lesser extent in the proximal convoluted tubule. Sodium and chloride ions are excreted in approximately equivalent amounts. The increased delivery of sodium to the distal tubular exchange site results in increased potassium excretion. Metolazone does not inhibit carbonic anhydrase. The antihypertensive mechanism of action of metolazone is not fully understood but is presumed to be related to its saluretic and diuretic properties.","Pharmacodynamics":"Metolazone is a quinazoline diuretic, with properties generally similar to the thiazide diuretics. A proximal action of metolazone has been shown in humans by increased excretion of phosphate and magnesium ions and by a markedly increased fractional excretion of sodium in patients with severely compromised glomerular filtration. This action has been demonstrated in animals by micropuncture studies.","Absorption":"Peak blood levels are obtained within 2 to 4 hours of oral administration. The rate and extent of absorption are formulation dependent. ","Interactions":[{"ID":"DB01078"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00204"},{"ID":"DB01356"},{"ID":"DB00469"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00105","Drugs":["DB00151","DB00524","DB01345","DB03904"]}]},{"ID":"DB00525","Name":"Tolnaftate","DrugType":"small molecule","HalfLife":"","Description":"Tolnaftate is a synthetic over-the-counter anti-fungal agent. It may come as a cream, powder, spray, or liquid aerosol, and is used to treat jock itch, athlete's foot and ringworm. It is sold under several brand names, most notably Tinactin and Odor Eaters.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"Tolnaftate topical is used to treat skin infections such as athlete's foot, jock itch, and ringworm infections. Tolnaftate is also used, along with other antifungals, to treat infections of the nails, scalp, palms, and soles of the feet. The powder and powder aerosol may be used to prevent athlete's foot.","Toxicity":"Oral rat LD50: 891 mg/kg. Inhalation rat LC50: \u003e 900 mg/m3/1hr. Irritation: skin rabbit: 500 mg/24H mild. Eye rabbit: 100 mg severe. Investigated a mutagen and reproductive effector.","MechanismOfAction":"Tolnaftate is a topical fungicide. Though its exact mechanism unknown, it is believed to prevent ergosterol biosynthesis by inhibiting squalene epoxidase. It has also been reported to distort the hyphae and to stunt mycelial growth in susceptible organisms.","Pharmacodynamics":"Tolnaftate is a synthetic over-the-counter anti-fungal agent.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00526","Name":"Oxaliplatin","DrugType":"small molecule","HalfLife":"The decline of ultrafilterable platinum levels following oxaliplatin administartion is triphasic, with two distribution phases: t1/2α; 0.43 hours and t1/2β; 16.8 hours. This is followed by a long terminal elimination phase that lasts 391 hours (t1/2γ). ","Description":"Oxaliplatin is a platinum-based chemotherapy drug in the same family as cisplatin and carboplatin. It is typically administered in combination with fluorouracil and leucovorin in a combination known as Folfox for the treatment of colorectal cancer. Compared to cisplatin the two amine groups are replaced by cyclohexyldiamine for improved antitumour activity. The chlorine ligands are replaced by the oxalato bidentate derived from oxalic acid in order to improve water solubility. Oxaliplatin is marketed by Sanofi-Aventis under the trademark Eloxatin\u0026reg;.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Used in combination with infusional 5-FU/LV, is indicated for the treatment of advanced carcinoma of the colon or rectum and for adjuvant treatment of stage III colon cancer patients who have undergone complete resection of the primary tumor. ","Toxicity":"There have been five cases of oxaliplatin overdose reported. One patient received two 130 mg/m2 doses of oxaliplatin (cumulative dose of 260 mg/m\u003csup\u003e2\u003c/sup\u003e) within a 24-hour period. The patient experienced Grade 4 thrombocytopenia (\u003c25,000/mm\u003csup\u003e3\u003c/sup\u003e) without any bleeding, which resolved. Two other patients were mistakenly administered oxaliplatin instead of carboplatin. One patient received a total oxaliplatin dose of 500 mg and the other received 650 mg. The first patient experienced dyspnea, wheezing, paresthesia, profuse vomiting and chest pain on the day of administration. She developed respiratory failure and severe bradycardia, and subsequently did not respond to resuscitation efforts. The other patient also experienced dyspnea, wheezing, paresthesia, and vomiting. Most common adverse reactions (incidence ≥ 40%) were peripheral sensory neuropathy, neutropenia, thrombocytopenia, anemia, nausea, increase in transaminases and alkaline phosphatase, diarrhea, emesis, fatigue and stomatitis. ","MechanismOfAction":"Oxaliplatin undergoes nonenzymatic conversion to active derivatives via displacement of the labile oxalate ligand. Several transient reactive species are formed, including monoaquo and diaquo DACH platinum, which covalently bind with macromolecules. After activation, oxaliplatin binds preferentially to the guanine and cytosine moieties of DNA, leading to cross-linking of DNA, thus inhibiting DNA synthesis and transcription. Cytotoxicity is cell-cycle nonspecific. ","Pharmacodynamics":"Oxaliplatin selectively inhibits the synthesis of deoxyribonucleic acid (DNA). The guanine and cytosine content correlates with the degree of Oxaliplatin-induced cross-linking. At high concentrations of the drug, cellular RNA and protein synthesis are also suppressed. ","Absorption":"Bioavailability is complete following intravenous administration. When a single 2-hour intravenous infusion of oxaliplatin at a dose of 85 mg/m^2 is given, the peak serum concentration was 0.814 mcg/mL. ","Interactions":[{"ID":"DB06769"},{"ID":"DB01030"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00527","Name":"Cinchocaine","DrugType":"small molecule","HalfLife":"","Description":"A local anesthetic of the amide type now generally used for surface anesthesia. It is one of the most potent and toxic of the long-acting local anesthetics and its parenteral use is restricted to spinal anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1006)","Classification":{"Description":"This compound belongs to the quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups.","DirectParent":"Quinoline Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxamides"},"Indication":"For production of local or regional anesthesia by infiltration techniques such as percutaneous injection and intravenous regional anesthesia by peripheral nerve block techniques such as brachial plexus and intercostal and by central neural techniques such as lumbar and caudal epidural blocks.","Toxicity":"Subcutaneous LD\u003csub\u003e50\u003c/sub\u003e in rat is 27 mg/kg. Symptoms of overdose include convulsions, hypoxia, acidosis, bradycardia, arrhythmias and cardiac arrest.","MechanismOfAction":"Local anesthetics block both the initiation and conduction of nerve impulses by decreasing the neuronal membrane's permeability to sodium ions through sodium channel inhibition. This reversibly stabilizes the membrane and inhibits depolarization, resulting in the failure of a propagated action potential and subsequent conduction blockade.","Pharmacodynamics":"Dibucaine is an amide-type local anesthetic, similar to lidocaine.","Absorption":"In general, ionized forms (salts) of local anesthetics are not readily absorbed through intact skin. However, both nonionized (bases) and ionized forms of local anesthetics are readily absorbed through traumatized or abraded skin into the systemic circulation.","Interactions":null,"Salts":[{"ID":"DBSALT000639","Name":"Cinchocaine hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00396","Drugs":["DB00368","DB00527","DB00988","DB01345","DB01373"]}]},{"ID":"DB00528","Name":"Lercanidipine","DrugType":"small molecule","HalfLife":"","Description":"Lercanidipine is a calcium channel blocker of the dihydropyridine class.\r\n\r\nIt is sold under various commercial names including Zanidip.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of Hypertension, management of angina pectoris and Raynaud's syndrome","Toxicity":"","MechanismOfAction":"By deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, Lercanidipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Pharmacodynamics":"Lercanidipine, a dihydropyridine calcium-channel blocker, is used alone or with an angiotensin-converting enzyme inhibitor, to treat hypertension, chronic stable angina pectoris, and Prinzmetal's variant angina. Lercanidipine is similar to other peripheral vasodilators. Lercanidipine inhibits the influx of extra cellular calcium across the myocardial and vascular smooth muscle cell membranes possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum. The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Absorption":"","Interactions":[{"ID":"DB01369"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00529","Name":"Foscarnet","DrugType":"small molecule","HalfLife":"3.3-6.8 hours","Description":"An antiviral agent used in the treatment of cytomegalovirus retinitis. Foscarnet also shows activity against human herpesviruses and HIV. [PubChem]","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"For the treatment of CMV retinitis in patients with acquired immunodeficiency syndrome (AIDS) and for treatment of acyclovir-resistant mucocutaneous HSV infections in immunocompromised patients.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: \u003e2,000 mg/kg. Signs of overdose include renal impairment.","MechanismOfAction":"Foscarnet exerts its antiviral activity by a selective inhibition at the pyrophosphate binding site on virus-specific DNA polymerases at concentrations that do not affect cellular DNA polymerases.","Pharmacodynamics":"Foscarnet is an organic analogue of inorganic pyrophosphate that inhibits replication of herpes viruses \u003ci\u003ein vitro\u003c/i\u003e including cytomegalovirus (CMV) and herpes simplex virus types 1 and 2 (HSV-1 and HSV-2). Foscarnet does not require activation (phosphorylation) by thymidine kinase or other kinases and therefore is active in vitro against HSV TK deficient mutants and CMV UL97 mutants. Thus, HSV strains resistant to acyclovir or CMV strains resistant to ganciclovir may be sensitive to foscarnet. However, acyclovir or ganciclovir resistant mutants with alterations in the viral DNA polymerase may be resistant to foscarnet and may not respond to therapy with foscarnet. The combination of foscarnet and ganciclovir has been shown to have enhanced activity in vitro.","Absorption":"Poorly absorbed after oral administration (bioavailability from 12 to 22%).","Interactions":[{"ID":"DB06697"},{"ID":"DB00537"},{"ID":"DB00091"},{"ID":"DB06708"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB01369"},{"ID":"DB00864"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000200","Name":"Foscarnet sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00530","Name":"Erlotinib","DrugType":"small molecule","HalfLife":"Median half-life of 36.2 hours.","Description":"Erlotinib hydrochloride (trade name Tarceva, Genentech/OSIP, originally coded as OSI-774) is a drug used to treat non-small cell lung cancer, pancreatic cancer and several other types of cancer.\r\n\r\nSimilar to gefitinib, erlotinib specifically targets the epidermal growth factor receptor (EGFR) tyrosine kinase. It binds in a reversible fashion to the adenosine triphosphate (ATP) binding site of the receptor. Erlotinib has recently been shown to be a potent inhibitor of JAK2V617F activity. JAK2V617F is a mutant of tyrosine kinase JAK2, is found in most patients with polycythemia vera (PV) and a substantial proportion of patients with idiopathic myelofibrosis or essential thrombocythemia. The study suggests that erlotinib may be used for treatment of JAK2V617F-positive PV and other myeloproliferative disorders.","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of at least one prior chemotherapy regimen. Also for use, in combination with gemcitabine, as the first-line treatment of patients with locally advanced, unresectable or metastatic pancreatic cancer.","Toxicity":"Symptoms of overdose include diarrhea, rash, and liver transaminase elevation. The most common adverse reactions (\u003e50%) in NSCLC are rash, diarrhea, anorexia and fatigue. The most common adverse reactions (\u003e50%) in pancreatic cancer are fatigue, rash, nausea and anorexia. ","MechanismOfAction":"The mechanism of clinical antitumor action of erlotinib is not fully characterized. Erlotinib inhibits the intracellular phosphorylation of tyrosine kinase associated with the epidermal growth factor receptor (EGFR). Specificity of inhibition with regard to other tyrosine kinase receptors has not been fully characterized. EGFR is expressed on the cell surface of normal cells and cancer cells.","Pharmacodynamics":"","Absorption":"Erlotinib is about 60% absorbed after oral administration and its bioavailability is substantially increased by food to almost 100%. Peak plasma levels occur 4 hours after dosing. The solubility of erlotinib is pH dependent. Solubility decreases pH increases. Smoking also decrease the exposure of erlotinib. ","Interactions":[{"ID":"DB01072"},{"ID":"DB01211"},{"ID":"DB00199"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01323"},{"ID":"DB00976"},{"ID":"DB00072"},{"ID":"DB01361"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000064","Name":"Erlotinib Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00472","Drugs":["DB00530"]}]},{"ID":"DB00531","Name":"Cyclophosphamide","DrugType":"small molecule","HalfLife":"3-12 hours","Description":"Precursor of an alkylating nitrogen mustard antineoplastic and immunosuppressive agent that must be activated in the liver to form the active aldophosphamide. It has been used in the treatment of lymphoma and leukemia. Its side effect, alopecia, has been used for defleecing sheep. Cyclophosphamide may also cause sterility, birth defects, mutations, and cancer. [PubChem]","Classification":{"Description":"This compound belongs to the nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a phosphorus atom.","DirectParent":"Nitrogen Mustard Compounds","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Tertiary Amines"},"Indication":"Cyclophosphamide is indicated for the treatment of malignant lymphomas, multiple myeloma, leukemias, mycosis fungoides (advanced disease), neuroblastoma (disseminated disease), adenocarcinoma of the ovary, retinoblastoma, and carcinoma of the breast. It is also indicated for the treatment of biopsy-proven minimal change nephrotic syndrome in pediatric patients. ","Toxicity":"Adverse reactions reported most often include neutropenia, febrile neutropenia, fever, alopecia, nausea, vomiting, and diarrhea.\r\n","MechanismOfAction":"Alkylating agents work by three different mechanisms: 1) attachment of alkyl groups to DNA bases, resulting in the DNA being fragmented by repair enzymes in their attempts to replace the alkylated bases, preventing DNA synthesis and RNA transcription from the affected DNA, 2) DNA damage via the formation of cross-links (bonds between atoms in the DNA) which prevents DNA from being separated for synthesis or transcription, and 3) the induction of mispairing of the nucleotides leading to mutations.","Pharmacodynamics":"Cyclophosphamide is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death.","Absorption":"After oral administration, peak concentrations occur at one hour. ","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB08879"},{"ID":"DB06769"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB00005"},{"ID":"DB00099"},{"ID":"DB00196"},{"ID":"DB00552"},{"ID":"DB00202"},{"ID":"DB04572"},{"ID":"DB00072"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00447","Drugs":["DB00143","DB00531"]},{"ID":"SMP00604","Drugs":["DB00143","DB00531"]}]},{"ID":"DB00532","Name":"Mephenytoin","DrugType":"small molecule","HalfLife":"Approximately 7 hours","Description":"Mephenytoin is used for the treatment of refractory partial epilepsy. Mephenytoin is a solid. This compound belongs to the phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group. Mephenytoin is known to target sodium channel protein type 5 subunit alpha. Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2B6, Cytochrome P450 1A2, and Cytochrome P450 2D6 are known to metabolize mephenytoin. Mephenytoin is a hydantoin-derivative anticonvulsant used to control various partial seizures. Mephenytoin and oxazolidinedione derivatives are associated with higher incidences of blood dyscrasias compared to other anticonvulsants. It is still studied largely because of its interesting hydroxylation polymorphism.","Classification":{"Description":"This compound belongs to the phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.","DirectParent":"Phenylhydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"For the treatment of refractory partial epilepsy.","Toxicity":"","MechanismOfAction":"The mechanism of action of mephenytoin is not definitely known, but extensive research strongly suggests that its main mechanism is to block frequency-, use- and voltage-dependent neuronal sodium channels, and therefore limit repetitive firing of action potentials.","Pharmacodynamics":"Mephenytoin is an antiepileptic drug which can be useful in the treatment of epilepsy. The primary site of action appears to be the motor cortex where spread of seizure activity is inhibited. Possibly by promoting sodium efflux from neurons, mephenytoin tends to stabilize the threshold against hyperexcitability caused by excessive stimulation or environmental changes capable of reducing membrane sodium gradient. This includes the reduction of posttetanic potentiation at synapses. Loss of posttetanic potentiation prevents cortical seizure foci from detonating adjacent cortical areas. Mephenytoin reduces the maximal activity of brain stem centers responsible for the tonic phase of tonic-clonic (grand mal) seizures.","Absorption":"","Interactions":[{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB00673"},{"ID":"DB00443"},{"ID":"DB01101"},{"ID":"DB00446"},{"ID":"DB00475"},{"ID":"DB01114"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00882"},{"ID":"DB00628"},{"ID":"DB00363"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00829"},{"ID":"DB00255"},{"ID":"DB00280"},{"ID":"DB00822"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB00196"},{"ID":"DB00687"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB00690"},{"ID":"DB00176"},{"ID":"DB00158"},{"ID":"DB00695"},{"ID":"DB00996"},{"ID":"DB00317"},{"ID":"DB00741"},{"ID":"DB00619"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB00555"},{"ID":"DB00367"},{"ID":"DB00643"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00563"},{"ID":"DB00553"},{"ID":"DB00379"},{"ID":"DB00683"},{"ID":"DB00370"},{"ID":"DB00717"},{"ID":"DB00338"},{"ID":"DB00776"},{"ID":"DB01303"},{"ID":"DB03585"},{"ID":"DB00812"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01224"},{"ID":"DB01045"},{"ID":"DB00277"},{"ID":"DB00208"},{"ID":"DB00620"},{"ID":"DB00897"}],"Salts":null,"Groups":{"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB00533","Name":"Rofecoxib","DrugType":"small molecule","HalfLife":"17 hours","Description":"Rofecoxib is used for the treatment of osteoarthritis, rheumatoid arthritis, acute pain in adults, and primary dysmenorrhea, as well as acute treatment of migraine attacks with or without auras. Rofecoxib is a solid. This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Rofecoxib has a half-life of 17 hours and its mean oral bioavailability at therapeutically recommended doses of 125, 25, and 50 mg is approximately 93%. The proteins that rofecoxib target include elastin and prostaglandin G/H synthase 2. Cytochrome P450 1A2, Cytochrome P450 3A4, Cytochrome P450 2C9, Cytochrome P450 2C8, and Prostaglandin G/H synthase 1 are known to metabolize rofecoxib. On September 30, 2004, Merck voluntarily withdrew rofecoxib from the market because of concerns about increased risk of heart attack and stroke associated with long-term, high-dosage use.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the treatment of osteoarthritis, rheumatoid arthritis, acute pain in adults, and primary dysmenorrhea, as well as acute treatment of migraine attacks with or without auras.","Toxicity":"No overdoses of rofecoxib were reported during clinical trials. Administration of single doses of rofecoxib 1000 mg to 6 healthy volunteers and multiple doses of 250 mg/day for 14 days to 75 healthy volunteers did not result in serious toxicity.","MechanismOfAction":"The anti-inflammatory, analgesic, and antipyretic effects of NSAIDs appear to result from the inhibition of prostaglandin synthesis. Although the exact mechanism of action has not been determined, these effects appear to be mediated through the inhibition of the COX-2 isoenzyme at the sites of inflammation with subsequent reduction in the synthesis of certain prostaglandins from their arachidonic acid precursors. Rofecoxib selectively inhibits the cyclooxygenase-2 (COX-2) enzyme, which is important for the mediation of inflammation and pain. Unlike non-selective NSAIDs, rofecoxib does not inhibit platelet aggregation. It also has little to no affinity for COX-1.","Pharmacodynamics":"Rofecoxib, a selective cyclooxygenase-2 (COX-2) inhibitor, is classified as a nonsteroidal anti-inflammatory drug (NSAID). Unlike celecoxib, rofecoxib lacks a sulfonamide chain and does not require CYP450 enzymes for metabolism. Like other NSAIDs, rofecoxib exhibits anti-inflammatory, analgesic, and antipyretic activity. NSAIDs appear to inhibit prostaglandin synthesis via the inhibition of cyclooxygenase (COX), which are responsible for catalyzing the formation of prostaglandins in the arachidonic acid pathyway. There are at least two isoenzymes, COX-1 and COX-2, that have been identified. Although the exact mechanisms have not been clearly established, NSAIDs exert their anti-inflammatory, analgesic, and antipyretic primarily through the inhibition of COX-2. The inhibition of COX-1 is principally responsible for the negative effects on the GI mucosa. As rofecoxib is selective for COX-2, it may be potentially associated with a decreased risk of certain adverse events, but more data is needed to fully evaulate the drug.","Absorption":"The mean oral bioavailability of rofecoxib at therapeutically recommended doses of 12.5, 25, and 50 mg is approximately 93%.","Interactions":[{"ID":"DB01223"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB01303"},{"ID":"DB00277"}],"Salts":null,"Groups":{"investigational":true,"withdrawn":true},"Pathways":[{"ID":"SMP00087","Drugs":["DB00142","DB00143","DB00533","DB01373","DB01593","DB04557"]}]},{"ID":"DB00534","Name":"Chlormerodrin","DrugType":"small molecule","HalfLife":"","Description":"Chlormerodrin is a mercurial compound with toxic side effects that was previously used as a diuretic. The radiolabeled form has been used as a diagnostic and research tool. It is no longer used and has been replaced with new classes of diuretic drugs.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Previously used as a diuretic. The radiolabeled form has been used as a diagnostic and research tool.","Toxicity":"As chlormerodrin has been shown to increase the levels of mercury in the kidney to toxic levels, any symptoms of overdose will most likely correspond to symptoms experienced in exposure to mercury.","MechanismOfAction":"Chlormerodrin most likely acts by a direct renal action. Mercurial diuresis is presumed to occur through inhibition of reabsorption of water and electrolytes in the convoluted tubules, although the problem of whether the locus of action is primarily on the proximal or distal portion has not yet been settled. There is also evidence that mercurials interfere with the permeability of the membrane of tubular cells by increasing passive influx of Na\u003csup\u003e+\u003c/sup\u003e ion, Cl\u003csup\u003e-\u003c/sup\u003e ion and water into the cells, without interfering with the active extrusion of Na\u003csup\u003e+\u003c/sup\u003e ion. Lastly, there is some evidence that chlormerodrin inhibits succinic dehydrogenase, but the clinical significance of this binding is not known.","Pharmacodynamics":"Chlormerodrin is a mercurial compound with toxic side effects. It is no longer used and has been replaced with new classes of diuretic drugs.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00535","Name":"Cefdinir","DrugType":"small molecule","HalfLife":"1.7 \u0026plusmn; 0.6 hours","Description":"Cefdinir (marketed by Abbott Laboratories under the brand name Omnicef) is a semi-synthetic, broad-spectrum antibiotic in the third generation of the cephalosporin class, proven effective for common bacterial infections of the ear, sinus, throat, and skin. It was approved by the U.S. Food and Drug Administration (FDA) in December of 1997.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of the respiratory, skin, soft tissue, and ENT infections caused by \u003ci\u003eH. influenzae\u003c/i\u003e (including b-lactamase producing strains), \u003ci\u003eH. parainfluenzae\u003c/i\u003e (including b-lactamase producing strains), \u003ci\u003eS. pneumoniae\u003c/i\u003e (penicillin-susceptible strains), \u003ci\u003eS. pyogenes\u003c/i\u003e, \u003ci\u003eS. aureus\u003c/i\u003e (including b-lactamase producing strains), and \u003ci\u003eM. catarrhalis\u003c/i\u003e.","Toxicity":"Information on cefdinir overdosage in humans is not available. In acute rodent toxicity studies, a single oral 5600-mg/kg dose produced no adverse effects. Toxic signs and symptoms following overdosage with other b-lactam antibiotics have included nausea, vomiting, epigastric distress, diarrhea, and convulsions.","MechanismOfAction":"As with other cephalosporins, bactericidal activity of cefdinir results from inhibition of cell wall synthesis by acting on penicillin binding proteins (PBPs).","Pharmacodynamics":"Cefdinir is a third generation cephalosporin with a broad spectrum of activity against enteric gram-negative rods. Cefdinir is stable in the presence of some, but not all, b-lactamase enzymes. As a result, many organisms resistant to penicillins and some cephalosporins are susceptible to cefdinir. Cephalosporins work the same way as penicillins: they interfere with the peptidoglycan synthesis of the bacterial wall by inhibiting the final transpeptidation needed for the cross-links. This effect is bactericidal.","Absorption":"Maximal plasma cefdinir concentrations occur 2 to 4 hours postdose following capsule or suspension administration. Estimated bioavailability of cefdinir capsules is 21% following administration of a 300 mg capsule dose, and 16% following administration of a 600 mg capsule dose. Estimated absolute bioavailability of cefdinir suspension is 25%. Absorption is reduced by approximately 15% when administered with a high fat meal.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00536","Name":"Guanidine","DrugType":"small molecule","HalfLife":"7-8 hours","Description":"A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC. [PubChem]","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"For the reduction of the symptoms of muscle weakness and easy fatigability associated with the myasthenic syndrome of Eaton-Lambert. It is not indicated for treating myasthenia gravis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 475 mg/kg (oral, rat). Can cause severe gastrointestinal symptoms (nausea, vomiting and diarrhea), bone marrow suppression, renal insufficiency and other hematologic abnormalities (anemia, leucopenia). Severe guanidine intoxication is characterized by nervous hyperirritability, fibrillary tremors and convulsive contractions of muscle, salivation, vomiting, diarrhea, hypoglycemia, and circulatory disturbances.","MechanismOfAction":"","Pharmacodynamics":"Guanidine apparently acts by enhancing the release of acetylcholine following a nerve impulse. It also appears to slow the rates of depolarization and repolarization of muscle cell membranes.","Absorption":"Rapidly absorbed and distributed","Interactions":[{"ID":"DB00382"}],"Salts":[{"ID":"DBSALT000737","Name":"Guanidine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00537","Name":"Ciprofloxacin","DrugType":"small molecule","HalfLife":"4 hours","Description":"A broad-spectrum antimicrobial carboxyfluoroquinoline. [PubChem]","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of the following infections caused by susceptible organisms: urinary tract infections, acute uncomplicated cystitis, chronic bacterial prostatitis, lower respiratory tract infections, acute sinusitis, skin and skin structure infections, bone and joint infections, complicated intra-abdominal infections (used in combination with metronidazole), infectious diarrhea, typhoid fever (enteric fever), uncomplicated cervical and urethral gonorrhea, and inhalational anthrax (post-exposure).","Toxicity":"The major adverse effect seen with use of is gastrointestinal irritation, common with many antibiotics.","MechanismOfAction":"The bactericidal action of ciprofloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, strand supercoiling repair, and recombination.","Pharmacodynamics":"Ciprofloxacin is a broad-spectrum antiinfective agent of the fluoroquinolone class. Ciprofloxacin has \u003ci\u003ein vitro\u003c/i\u003e activity against a wide range of gram-negative and gram-positive microorganisms. The mechanism of action of quinolones, including ciprofloxacin, is different from that of other antimicrobial agents such as beta-lactams, macrolides, tetracyclines, or aminoglycosides; therefore, organisms resistant to these drugs may be susceptible to ciprofloxacin. There is no known cross-resistance between ciprofloxacin and other classes of antimicrobials. Notably the drug has 100 times higher affinity for bacterial DNA gyrase than for mammalian.","Absorption":"Rapidly and well absorbed from the gastrointestinal tract after oral administration. The absolute bioavailability is approximately 70% with no substantial loss by first pass metabolism.","Interactions":[{"ID":"DB01418"},{"ID":"DB01370"},{"ID":"DB01223"},{"ID":"DB01125"},{"ID":"DB06769"},{"ID":"DB00201"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB00363"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB01375"},{"ID":"DB00476"},{"ID":"DB00651"},{"ID":"DB06210"},{"ID":"DB00754"},{"ID":"DB00529"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB08827"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00532"},{"ID":"DB00563"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB01035"},{"ID":"DB00980"},{"ID":"DB01367"},{"ID":"DB00268"},{"ID":"DB00658"},{"ID":"DB00203"},{"ID":"DB00364"},{"ID":"DB00382"},{"ID":"DB00277"},{"ID":"DB01623"},{"ID":"DB00697"},{"ID":"DB00682"},{"ID":"DB01593"}],"Salts":[{"ID":"DBSALT000293","Name":"Ciprofloxacin Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00538","Name":"Gadoversetamide","DrugType":"small molecule","HalfLife":"Distribution 13.3 \u0026plusmn; 6.8 (mean) minutes, elimination 103.6 \u0026plusmn; 19.5 (mean) minutes.","Description":"Gadoversetamide is a gadolinium compound used as a contrast agent in magnetic resonance imaging (MRI), particularly imaging of the brain, spine and liver. It is marketed under the trade name OptiMARK.","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Gadoversetamide is an MRI contrast agent used for MRI diagnostic procedures to provide increased enhancement and visualization of lesions of the brain, spine and liver, including tumors.","Toxicity":"","MechanismOfAction":"Based on the behavior of protons when placed in a strong magnetic field, which is interpreted and transformed into images by magnetic resonance (MR) instruments. MR images are based primarily on proton density and proton relaxation dynamics. MR instruments are sensitive to two different relaxation processes, the T1 (spin-lattice or longitudinal relaxation time) and T2 (spin-spin or transverse relaxation time). Paramagnetic agents contain one or more unpaired electrons that enhance the T1 and T2 relaxation rates of protons in their molecular environment. In MRI, visualization of normal and pathological brain, spinal and hepatic tissue depends in part on variations in the radio frequency signal intensity that occur with changes in proton density, alteration of the T1, and variation in T2. When placed in a magnetic field, gadoversetamide shortens the T1 and T2 relaxation times in tissues where it accumulates. At the recommended dose, the effect is primarily on T1 relaxation time, and produces an increase in signal intensity (brightness). Gadoversetamide does not cross the intact blood-brain barrier; therefore, it does not accumulate in normal brain tissue or in CNS lesions that may have a normal blood-brain barrier (e.g., cysts, mature post-operative scars). Abnormal vascularity or disruption of the blood-brain barrier allows accumulation of gadoversetamide in lesions such as neoplasms, abscesses, and subacute infarcts.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00539","Name":"Toremifene","DrugType":"small molecule","HalfLife":"5 days","Description":"A first generation nonsteroidal selective estrogen receptor modulator (SERM) that is structurally related to tamoxifen. Like tamoxifen, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue. [PubChem]","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the treatment of metastatic breast cancer in postmenopausal women with estrogen receptor-positive or receptor-unknown tumors. Toremifene is currently under investigation as a preventative agent for prostate cancer in men with high-grade prostatic intraepithelial neoplasia and no evidence of prostate cancer.","Toxicity":"","MechanismOfAction":"Toremifene is a nonsteroidal triphenylethylene derivative. Toremifene binds to estrogen receptors and may exert estrogenic, antiestrogenic, or both activities, depending upon the duration of treatment, animal species, gender, target organ, or endpoint selected. The antitumor effect of toremifene in breast cancer is believed to be mainly due to its antiestrogenic effects, in other words, its ability to compete with estrogen for binding sites in the cancer, blocking the growth-stimulating effects of estrogen in the tumor. Toremifene may also inhibit tumor growth through other mechanisms, such as induction of apoptosis, regulation of oncogene expression, and growth factors.","Pharmacodynamics":"Toremifene is an antineoplastic hormonal agent primarily used in the treatment of advanced breast cancer. Toremifene is a nonsteroidal agent that has demonstrated potent antiestrogenic properties in animal test systems. The antiestrogenic effects may be related to its ability to compete with estrogen for binding sites in target tissues such as breast. Toremifene inhibits the induction of rat mammary carcinoma induced by dimethylbenzanthracene (DMBA) and causes the regression of already established DMBA-induced tumors. In this rat model, Toremifene appears to exert its antitumor effects by binding the estrogen receptors. In cytosols derived from human breast adenocarcinomas, Toremifene competes with estradiol for estrogen receptor protein.","Absorption":"Well absorbed","Interactions":[{"ID":"DB00106"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00714"},{"ID":"DB01169"},{"ID":"DB06697"},{"ID":"DB06216"},{"ID":"DB00477"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00872"},{"ID":"DB01254"},{"ID":"DB01151"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00757"},{"ID":"DB01184"},{"ID":"DB01142"},{"ID":"DB00450"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00529"},{"ID":"DB01044"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB00308"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00270"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB00408"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00358"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB00218"},{"ID":"DB04868"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00104"},{"ID":"DB06589"},{"ID":"DB00738"},{"ID":"DB00556"},{"ID":"DB01100"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00734"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00540","Name":"Nortriptyline","DrugType":"small molecule","HalfLife":"16 to 90+ hours","Description":"Nortriptyline hydrochloride, the \u003ci\u003eN\u003c/i\u003e-demethylated active metabolite of amitriptyline, is a dibenzocycloheptene-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, nortriptyline does not affect mood or arousal, but may cause sedation. In depressed individuals, nortriptyline exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Secondary amine TCAs, such as nortriptyline, are more potent inhibitors of norepinephrine reuptake than tertiary amine TCAs, such as amitriptyline. TCAs also down-regulate cerebral cortical \u0026beta;-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H\u003csub\u003e1\u003c/sub\u003e receptors, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Nortriptyline exerts less anticholinergic and sedative side effects compared to the tertiary amine TCAs, amitriptyline and clomipramine. Nortriptyline may be used to treat depression, chronic pain (unlabeled use), irritable bowel syndrome (unlabeled use), diabetic neuropathy (unlabeled use), post-traumatic stress disorder (unlabeled use), and for migraine prophylaxis (unlabeled use). ","Classification":{"Description":"This compound belongs to the dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring.","DirectParent":"Dibenzocycloheptenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Dibenzocycloheptenes","SubClass":""},"Indication":"For the treatment of depression, chronic pain, irritable bowel syndrome, sleep disorders, diabetic neuropathy, agitation and insomnia, and migraine prophylaxis.","Toxicity":"Symptoms of overdose include cardiac dysrhythmias, severe hypotension, shock, congestive heart failure, pulmonary edema, convulsions, and CNS depression, including coma. Changes in the electrocardiogram, particularly in QRS axis or width, are clinically significant indicators of tricyclic antidepressant toxicity. \r\nSide effects include: sedation, hypotension, blurred vision, dry mouth, constipation, urinary retention, postural hypotension, tachycardia, hypertension, ECG changes, heart failure, impaired memory and delirium, and precipitation of hypomanic or manic episodes in bipolar depression. \r\nWithdrawal symptoms include gastrointestinal disturbances, anxiety, and insomnia. \r\n","MechanismOfAction":"It is believed that nortriptyline either inhibits the reuptake of the neurotransmitter serotonin at the neuronal membrane or acts at beta-adrenergic receptors. Tricyclic antidepressants do not inhibit monoamine oxidase nor do they affect dopamine reuptake.","Pharmacodynamics":"Similar to protriptyline, nortriptyline is a tricyclic antidepressant of the dibenzocycloheptene type and is the active metabolite of amitriptyline.","Absorption":"Well absorbed from the GI tract. Peak plasma concentrations occur 7-8.5 hours following oral administration. ","Interactions":[{"ID":"DB00488"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB01341"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB00476"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB01064"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB01171"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB00780"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01001"},{"ID":"DB01105"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000641","Name":"Nortriptyline Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00541","Name":"Vincristine","DrugType":"small molecule","HalfLife":"When intravenously injected into cancer patients, a triphasic serum decay patten was observed. The initial, middle, and terminal half-lives are 5 minutes, 2.3 hours, 85 hours respectively. The range of the terminal half-life is humans is 19 - 155 hours. ","Description":"Vincristine is an antitumor vinca alkaloid isolated from Vinca Rosea. It is marketed under several brand names, many of which have different formulations such as Marqibo (liposomal injection) and Vincasar. Vincristine is indicated for the treatment of acute leukaemia, malignant lymphoma, Hodgkin's disease, acute erythraemia, and acute panmyelosis. vincristine sulfate is often chosen as part of polychemotherapy because of lack of significant bone–marrow suppression (at recommended doses) and of unique clinical toxicity (neuropathy). ","Classification":{"Description":"This compound belongs to the rhazinilam alkaloids.","DirectParent":"Rhazinilam Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Rhazinilam Alkaloids","SubClass":""},"Indication":"Treatment of acute lymphocytic leukemia (ALL), Hodgkin lymphoma, non-Hodgkin lymphomas, Wilms' tumor, neuroblastoma, rhabdomyosarcoma. Liposomal vincristine is indicated for the treatment of relapsed Philadelphia chromosome-negative (Ph-) acute lymphoblastic leukemia (ALL). ","Toxicity":"IVN-RAT LD\u003csub\u003e50\u003c/sub\u003e 1300 mg/kg; IPR-MUS LD\u003csub\u003e50\u003c/sub\u003e 5.2 mg/kg. Marqibo® must only be administered IV because it is fatal if administered by other routes. Marqibo® also has different dosing than vincristine sulphate injection, so attention is needed to prevent overdoses. The most clinically significant adverse effect of vincristine is neurotoxicity. ","MechanismOfAction":"The antitumor activity of Vincristine is thought to be due primarily to inhibition of mitosis at metaphase through its interaction with tubulin. Like other vinca alkaloids, Vincristine may also interfere with: 1) amino acid, cyclic AMP, and glutathione metabolism, 2) calmodulin-dependent Ca\u003csup\u003e2+\u003c/sup\u003e-transport ATPase activity, 3) cellular respiration, and 4) nucleic acid and lipid biosynthesis.","Pharmacodynamics":"Vincristine is a vinca alkaloid antineoplastic agent used as a treatment for various cancers including breast cancer, Hodgkin's disease, Kaposi's sarcoma, and testicular cancer. The vinca alkaloids are structurally similar compounds comprised of 2 multiringed units, vindoline and catharanthine. The vinca alkaloids have become clinically useful since the discovery of their antitumour properties in 1959. Initially, extracts of the periwinkle plant (Catharanthus roseus) were investigated because of putative hypoglycemic properties, but were noted to cause marrow suppression in rats and antileukemic effects \u003ci\u003ein vitro\u003c/i\u003e. Vincristine binds to the microtubular proteins of the mitotic spindle, leading to crystallization of the microtubule and mitotic arrest or cell death. Vincristine has some immunosuppressant effect. The vinca alkaloids are considered to be cell cycle phase-specific.","Absorption":"","Interactions":[{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB00390"},{"ID":"DB00954"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01097"},{"ID":"DB01601"},{"ID":"DB01110"},{"ID":"DB00305"},{"ID":"DB00108"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01263"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB06145"},{"ID":"DB00976"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000314","Name":"Vincristine Sulfate"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00437","Drugs":["DB00541"]}]},{"ID":"DB00542","Name":"Benazepril","DrugType":"small molecule","HalfLife":"10-11 hours","Description":"Benazepril, brand name Lotensin, is a medication used to treat high blood pressure (hypertension), congestive heart failure, and chronic renal failure. Upon cleavage of its ester group by the liver, benazepril is converted into its active form benazeprilat, a non-sulfhydryl angiotensin-converting enzyme (ACE) inhibitor.","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of hypertension. It may be used alone or in combination with thiazide diuretics.","Toxicity":"Most likely symptom of overdosage is severe hypotension. Most common adverse effects include headache, dizziness, fatigue, somnolence, postural dizziness, nausea, and cough. ","MechanismOfAction":"Benazeprilat, the active metabolite of Benazepril, competes with angiotensin I for binding at the angiotensin-converting enzyme, blocking the conversion of angiotensin I to angiotensin II. Inhibition of ACE results in decreased plasma angiotensin II. As angiotensin II is a vasoconstrictor and a negative-feedback mediator for renin activity, lower concentrations result in a decrease in blood pressure and stimulation of baroreceptor reflex mechanisms, which leads to decreased vasopressor activity and to decreased aldosterone secretion. Benazeprilat may also act on kininase II, an enzyme identical to ACE that degrades the vasodilator bradykinin.","Pharmacodynamics":"Benazepril, an angiotensin-converting enzyme (ACE) inhibitor, is a prodrug which, when hydrolyzed by estarases to its active Benazeprilat, is used to treat hypertension and heart failure, to reduce proteinuria and renal disease in patients with nephropathies, and to prevent stroke, myocardial infarction, and cardiac death in high-risk patients. Benazepril and Benazeprilat inhibit angiotensin-converting enzyme (ACE) in human subjects and animals. ACE is a peptidyl dipeptidase that catalyzes the conversion of angiotensin I to the vasoconstrictor substance, angiotensin II. Angiotensin II also stimulates aldosterone secretion by the adrenal cortex.","Absorption":"Peak in plasma within 0.5-1.0 hours. The extent of absorption is at least 37% as determined by urinary recovery and is not significantly influenced by the presence of food in the GI tract.","Interactions":[{"ID":"DB00594"},{"ID":"DB08822"},{"ID":"DB01395"},{"ID":"DB06196"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00697"},{"ID":"DB00684"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":[{"ID":"DBSALT000554","Name":"Benazepril Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00591","Drugs":["DB00542","DB01593"]},{"ID":"SMP00145","Drugs":["DB00542","DB01593"]}]},{"ID":"DB00543","Name":"Amoxapine","DrugType":"small molecule","HalfLife":"8 hours","Description":"Amoxapine, the \u003ci\u003eN\u003c/i\u003e-demethylated derivative of the antipsychotic agent loxapine, is a dibenzoxazepine-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, amoxapine does not affect mood or arousal, but may cause sedation. In depressed individuals, amoxapine exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. In addition, TCAs down-regulate cerebral cortical \u0026beta;-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine H\u003csub\u003e1\u003c/sub\u003e receptors, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Amoxapine may be used to treat neurotic and reactive depressive disorders, endogenous and psychotic depression, and mixed symptoms of depression and anxiety or agitation. ","Classification":{"Description":"This compound belongs to the dibenzoxazepines. These are compounds containing a dibenzoxazepine moiety, which consists of two benzene connected by an oxazepine ring.","DirectParent":"Dibenzoxazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazepines","SubClass":"Dibenzoxazepines"},"Indication":"For the relief of symptoms of depression in patients with neurotic or reactive depressive disorders as well as endogenous and psychotic depressions. May also be used to treat depression accompanied by anxiety or agitation.","Toxicity":"Toxic manifestations of amoxapine overdosage differ significantly from those of other tricyclic antidepressants. Serious cardiovascular effects are seldom if ever observed. However, CNS effects, particularly grand mal convulsions, occur frequently, and treatment should be directed primarily toward prevention or control of seizures. Status epilepticus may develop and constitutes a neurologic emergency. Coma and acidosis are other serious complications of substantial amoxapine overdosage in some cases. Renal failure may develop two to five days after toxic overdose in patients who may appear otherwise recovered. Acute tubular necrosis with rhabdomuolysis and myolobinurla is the most common renal complication in such cases. This reaction probably occurs in less than 5% of overdose cases, and typically in those who have experienced multiple seizures.","MechanismOfAction":"Amoxapine acts by decreasing the reuptake of norepinephrine and serotonin (5-HT).","Pharmacodynamics":"Amoxapine is a tricyclic antidepressant of the dibenzoxazepine class, chemically distinct from the dibenzodiazepines, dibenzocycloheptenes, and dibenzoxepines. It has a mild sedative component to its action. The mechanism of its clinical action in man is not well understood. In animals, amoxapine reduced the uptake of nor-epinephirine and serotonin and blocked the response of dopamine receptors to dopamine. Amoxapine is not a monoamine oxidase inhibitor. Clinical studies have demonstrated that amoxapine has a more rapid onset of action than either amitriptyline or imipramine","Absorption":"Rapidly and almost completely absorbed from the GI tract. Peak plasma concentrations occur within 1-2 hours of oral administration of a single dose. ","Interactions":[{"ID":"DB00488"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB01064"},{"ID":"DB06708"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB01171"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB00780"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01001"},{"ID":"DB01105"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00544","Name":"Fluorouracil","DrugType":"small molecule","HalfLife":"10-20 minutes","Description":"A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the thymidylate synthetase conversion of deoxyuridylic acid to thymidylic acid. [PubChem]","Classification":{"Description":"This compound belongs to the halopyrimidines. These are aromatic compounds containing an halogen atom linked to a pyrimidine ring.","DirectParent":"Halopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the topical treatment of multiple actinic or solar keratoses. In the 5% strength it is also useful in the treatment of superficial basal cell carcinomas when conventional methods are impractical, such as with multiple lesions or difficult treatment sites. Fluorouracil injection is indicated in the palliative management of some types of cancer, including colon, esophageal, gastric, rectum, breast, biliary tract, stomach, head and neck, cervical, pancreas, renal cell, and carcinoid.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=230mg/kg (orally in mice)","MechanismOfAction":"The precise mechanism of action has not been fully determined, but the main mechanism of fluorouracil is thought to be the binding of the deoxyribonucleotide of the drug (FdUMP) and the folate cofactor, N5–10-methylenetetrahydrofolate, to thymidylate synthase (TS) to form a covalently bound ternary complex. This results in the inhibition of the formation of thymidylate from uracil, which leads to the inhibition of DNA and RNA synthesis and cell death. Fluorouracil can also be incorporated into RNA in place of uridine triphosphate (UTP), producing a fraudulent RNA and interfering with RNA processing and protein synthesis.","Pharmacodynamics":"Fluorouracil is an antineoplastic anti-metabolite. Anti-metabolites masquerade as purine or pyrimidine - which become the building blocks of DNA. They prevent these substances from becoming incorporated into DNA during the \"S\" phase (of the cell cycle), stopping normal development and division. Fluorouracil blocks an enzyme which converts the cytosine nucleotide into the deoxy derivative. In addition, DNA synthesis is further inhibited because Fluorouracil blocks the incorporation of the thymidine nucleotide into the DNA strand.","Absorption":"28-100%","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB00916"},{"ID":"DB00252"},{"ID":"DB00675"},{"ID":"DB06287"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00072"},{"ID":"DB00440"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00470","Drugs":["DB00544"]},{"ID":"SMP00608","Drugs":["DB00544"]},{"ID":"SMP00607","Drugs":["DB00371","DB00544","DB01101"]},{"ID":"SMP00469","Drugs":["DB00371","DB00544","DB01101"]}]},{"ID":"DB00545","Name":"Pyridostigmine","DrugType":"small molecule","HalfLife":"3 hours following oral administration.","Description":"A cholinesterase inhibitor with a slightly longer duration of action than neostigmine. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants. [PubChem]","Classification":{"Description":"This compound belongs to the pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.","DirectParent":"Pyridinium Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinium Derivatives"},"Indication":"For the treatment of myasthenia gravis.","Toxicity":"","MechanismOfAction":"Pyridostigmine inhibits acetylcholinesterase in the synaptic cleft by competing with acetylcholine for attachment to acetylcholinesterase, thus slowing down the hydrolysis of acetylcholine, and thereby increases efficiency of cholinergic transmission in the neuromuscular junction and prolonges the effects of acetylcholine.","Pharmacodynamics":"Pyridostigmine is a parasympathomimetic and a reversible cholinesterase inhibitor. Since it is a quaternary amine, it is poorly absorbed in the gut and doesn't cross the blood-brain barrier. Pyridostigmine has a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants.","Absorption":"Poorly absorbed from the GI tract with an oral bioavailability of 7.6 +/- 2.4%.","Interactions":[{"ID":"DB00443"},{"ID":"DB01285"},{"ID":"DB01380"},{"ID":"DB01234"},{"ID":"DB00687"},{"ID":"DB00741"},{"ID":"DB00959"},{"ID":"DB01384"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00620"}],"Salts":[{"ID":"DBSALT000190","Name":"Pyridostigmine Bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00546","Name":"Adinazolam","DrugType":"small molecule","HalfLife":"Less than 3 hours.","Description":"Adinazolam (Deracyn®) is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative, and antidepressant properties. Adinazolam was developed by Dr. Jackson B. Hester, who was seeking to enhance the antidepressant properties of alprazolam, which he also developed. Adinazolam was never FDA approved and was never available to the public. ","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the treatment of anxiety and status epilepticus.","Toxicity":"Signs of overdose may include muscle weakness, ataxia, dysarthria and particularly in children paradoxical excitement. In more severe cases diminished reflexes, confusion, and coma may ensue.","MechanismOfAction":"Adinazolam binds to peripheral-type benzodiazepine receptors which interact allosterically with GABA receptors. This potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways.","Pharmacodynamics":"Adinazolam is a benzodiazepine derivative used to treat anxiety, status epilepticus, and for sedation induction and anterograde amnesia. Adinazolam binds with high affinity to the GABA benzodiazepine receptor complex. Considerable evidence suggest that the central pharmacologic/therapeutic actions of alprazolam are mediated via interaction with this receptor complex.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00547","Name":"Desoximetasone","DrugType":"small molecule","HalfLife":"The half-life of the material was 15 \u0026plusmn; 2 hours (for urine) and 17 \u0026plusmn; 2 hours (for feces) between the third and fifth trial day.","Description":"A topical anti-inflammatory glucocorticoid used in dermatoses, skin allergies, psoriasis, etc. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses.","Toxicity":"Topically applied desoximetasone can be absorbed in sufficient amounts to produce systemic effects. Symptoms of overdose include thinning of skin and suppression of adrenal cortex (decreased ability to respond to stress).","MechanismOfAction":"The precise mechanism of the antiinflammatory activity of topical steroids in the treatment of steroid-responsive dermatoses, in general, is uncertain. However, corticosteroids are thought to act by the induction of phospholipase A\u003csub\u003e2\u003c/sub\u003e inhibitory proteins, collectively called lipocortins. This is achieved first by the drug binding to the glucocorticoid receptors which then translocates into the nucleus and binds to DNA causing various activations and repressions of genes. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A\u003csub\u003e2\u003c/sub\u003e.","Pharmacodynamics":"Like other topical corticosteroids, desoximetasone has anti-inflammatory, antipruritic, and vasoconstrictive properties. Once absorbed through the skin, topical corticosteroids are handled through pharmacokinetic pathways similar to systemically administered corticosteroids. Desoximetasone is a potent topical corticosteroid that should not be used with occlusive dressings. It is recommended that treatment should be limited to 2 consecutive weeks and therapy should be discontinued when adequate results have been achieved.","Absorption":"Topical corticosteroids can be absorbed from intact healthy skin. The extent of percutaneous absorption of topical corticosteroids is determined by many factors, including the vehicle and the integrity of the epidermal barrier. Occlusion, inflammation and/or other disease processes in the skin may also increase percutaneous absorption.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00548","Name":"Azelaic Acid","DrugType":"small molecule","HalfLife":"The observed half-lives in healthy subjects are approximately 45 minutes after oral dosing and 12 hours after topical dosing, indicating percutaneous absorption rate-limited kinetics.","Description":"Azelaic acid is a saturated dicarboxylic acid found naturally in wheat, rye, and barley. It is a natural substance that is produced by Malassezia furfur (also known as Pityrosporum ovale), a yeast that lives on normal skin. It is effective against a number of skin conditions, such as mild to moderate acne, when applied topically in a cream formulation of 20%. It works in part by stopping the growth of skin bacteria that cause acne, and by keeping skin pores clear. Azelaic acid's antimicrobial action may be attributable to inhibition of microbial cellular protein synthesis.","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"For the topical treatment of mild-to-moderate inflammatory acne vulgaris.","Toxicity":"Oral LD50 in rat: \u003e5 g/kg","MechanismOfAction":"The exact mechanism of action of azelaic acid is not known. It is thought that azelaic acid manifests its antibacterial effects by inhibiting the synthesis of cellular protein in anaerobic and aerobic bacteria, especially \u003ci\u003eStaphylococcus epidermidis\u003c/i\u003e and \u003ci\u003ePropionibacterium acnes\u003c/i\u003e. In aerobic bacteria, azelaic acid reversibly inhibits several oxidoreductive enzymes including tyrosinase, mitochondrial enzymes of the respiratory chain, thioredoxin reductase, 5-alpha-reductase, and DNA polymerases. In anaerobic bacteria, azelaic acid impedes glycolysis. Along with these actions, azelaic acid also improves acne vulgaris by normalizing the keratin process and decreasing microcomedo formation. Azelaic acid may be effective against both inflamed and noninflamed lesions. Specifically, azelaic acid reduces the thickness of the stratum corneum, shrinks keratohyalin granules by reducing the amount and distribution of filaggrin (a component of keratohyalin) in epidermal layers, and lowers the number of keratohyalin granules.","Pharmacodynamics":"Azelaic acid is a saturated dicarboxylic acid found naturally in wheat, rye, and barley. It is a natural substance that is produced by \u003ci\u003eMalassezia furfur\u003c/i\u003e (also known as \u003ci\u003ePityrosporum ovale\u003c/i\u003e), a yeast that lives on normal skin. It is effective against a number of skin conditions, such as mild to moderate acne, when applied topically in a cream formulation of 20%. It works in part by stopping the growth of skin bacteria that cause acne, and by keeping skin pores clear. Azelaic acid's antimicrobial action may be attributable to inhibition of microbial cellular protein synthesis.","Absorption":"Approximately 4% of the topically applied azelaic acid is systemically absorbed.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00549","Name":"Zafirlukast","DrugType":"small molecule","HalfLife":"10 hours","Description":"Zafirlukast is an oral leukotriene receptor antagonist (LTRA) for the maintenance treatment of asthma, often used in conjunction with an inhaled steroid and/or long-acting bronchodilator. It is available as a tablet and is usually dosed twice daily. Another leukotriene receptor antagonist is montelukast (Singulair), which is usually taken just once daily.\r\n\r\nZafirlukast blocks the action of the cysteinyl leukotrienes on the CysLT1 receptors, thus reducing constriction of the airways, build-up of mucus in the lungs and inflammation of the breathing passages.\r\n","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the prophylaxis and chronic treatment of asthma.","Toxicity":"Side effects include rash and upset stomach.","MechanismOfAction":"Zafirlukast is a selective and competitive receptor antagonist of leukotriene D4 and E4 (LTD\u003csub\u003e4\u003c/sub\u003e and LTE4), components of slow-reacting substance of anaphylaxis (SRSA). Cysteinyl leukotriene production and receptor occupation have been correlated with the pathophysiology of asthma, including airway edema, smooth muscle constriction, and altered cellular activity associated with the inflammatory process, which contribute to the signs and symptoms of asthma.","Pharmacodynamics":"Zafirlukast is a synthetic, selective peptide leukotriene receptor antagonist (LTRA) indicated for the prophylaxis and chronic treatment of asthma. Patients with asthma were found in one study to be 25-100 times more sensitive to the bronchoconstricting activity of inhaled LTD\u003csub\u003e4\u003c/sub\u003e than nonasthmatic subjects. \u003ci\u003eIn vitro\u003c/i\u003e studies demonstrated that zafirlukast antagonized the contractile activity of three leukotrienes (LTC\u003csub\u003e4\u003c/sub\u003e, LTD\u003csub\u003e4\u003c/sub\u003e and LTE\u003csub\u003e4\u003c/sub\u003e) in conducting airway smooth muscle from laboratory animals and humans. Zafirlukast prevented intradermal LTD\u003csub\u003e4\u003c/sub\u003e-induced increases in cutaneous vascular permeability and inhibited inhaled LTD\u003csub\u003e4\u003c/sub\u003e-induced influx of eosinophils into animal lungs.","Absorption":"Rapidly absorbed following oral administration, reduced following a high-fat or high-protein meal.","Interactions":[{"ID":"DB01418"},{"ID":"DB01223"},{"ID":"DB01101"},{"ID":"DB00604"},{"ID":"DB00705"},{"ID":"DB00199"},{"ID":"DB00322"},{"ID":"DB00196"},{"ID":"DB00544"},{"ID":"DB01241"},{"ID":"DB01026"},{"ID":"DB00622"},{"ID":"DB01656"},{"ID":"DB06268"},{"ID":"DB00359"},{"ID":"DB00263"},{"ID":"DB00277"},{"ID":"DB01124"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00550","Name":"Propylthiouracil","DrugType":"small molecule","HalfLife":"2 hours","Description":"A thiourea antithyroid agent. Propythiouracil inhibits the synthesis of thyroxine and inhibits the peripheral conversion of throxine to tri-iodothyronine. It is used in the treatment of hyperthyroidism. (From Martindale, The Extra Pharmacopeoia, 30th ed, p534)","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Used to manage hyperthyroidism which is due to an overactive thyroid gland (Grave's disease).","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 1250 mg/kg.","MechanismOfAction":"Propylthiouracil binds to thyroid peroxidase and thereby inhibits the conversion of iodide to iodine. Thyroid peroxidase normally converts iodide to iodine (via hydrogen peroxide as a cofactor) and also catalyzes the incorporation of the resulting iodide molecule onto both the 3 and/or 5 positions of the phenol rings of tyrosines found in thyroglobulin. Thyroglobulin is degraded to produce thyroxine (T4) and tri-iodothyronine (T3), which are the main hormones produced by the thyroid gland. Therefore propylthiouracil effectively inhibits the production of new thyroid hormones.","Pharmacodynamics":"Propylthiouracil is a thiourea antithyroid agent. Grave's disease is the most common cause of hyperthyroidism. It is an autoimmune disease where an individual's own antibodies attach to thyroid stimulating hormone receptors within cells of the thyroid gland and then trigger overproduction of thyroid hormone. The two thyroid hormones manufactured by the thyroid gland, thyroxine (T4) and triiodothyronine (T3), are formed by combining iodine and a protein called thyroglobulin with the assistance of an enzyme called peroxidase. PTU inhibits iodine and peroxidase from their normal interactions with thyroglobulin to form T4 and T3. This action decreases thyroid hormone production. PTU also interferes with the conversion of T4 to T3, and, since T3 is more potent than T4, this also reduces the activity of thyroid hormones. The actions and use of propylthiouracil are similar to those of methimazole.","Absorption":"Well absorbed following oral administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00551","Name":"Acetohydroxamic Acid","DrugType":"small molecule","HalfLife":"5-10 hours in patients with normal renal function","Description":"Acetohydroxamic Acid, a synthetic drug derived from hydroxylamine and ethyl acetate, is similar in structure to urea. In the urine, it acts as an antagonist of the bacterial enzyme urease. Acetohydroxamic Acid has no direct antimicrobial action and does not acidify urine directly. It is used, in addition to antibiotics or medical procedures, to treat chronic urea-splitting urinary infections.","Classification":{"Description":"This compound belongs to the hydroxamic acids. These are compounds containing an hydroxamic acid functional group in which an hydroxylamine is inserted into a carboxylic acid. Its general structure is R-CO-NH-OH, with an R as an organic residue.","DirectParent":"Hydroxamic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"Used, in addition to antibiotics or medical procedures, to treat chronic urea-splitting urinary infections.","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 4.8gm/kg. Symptoms of overdose include anorexia, malaise, lethargy, diminished sense of wellbeing, tremor, anxiety, nausea, and vomiting.","MechanismOfAction":"Acetohydroxamic Acid reversibly inhibits the bacterial enzyme urease. This inhibits the hydrolysis of urea and production of ammonia in urine infected with urea-splitting organisms, leading to a decrease in pH and ammonia levels. As antimicrobial agents are more effective in such conditions, the effectiveness of these agents is amplified, resulting in a higher cure rate.","Pharmacodynamics":"Acetohydroxamic Acid, a synthetic drug derived from hydroxylamine and ethyl acetate, is similar in structure to urea. In the urine, it acts as an antagonist of the bacterial enzyme urease. Acetohydroxamic Acid has no direct antimicrobial action and does not acidify urine directly.","Absorption":"Well absorbed from the GI tract following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00552","Name":"Pentostatin","DrugType":"small molecule","HalfLife":"5.7 hours (with a range between 2.6 and 16 hrs)","Description":"A potent inhibitor of adenosine deaminase. The drug is effective in the treatment of many lymphoproliferative malignancies, particularly hairy-cell leukemia. It is also synergistic with some other antineoplastic agents and has immunosuppressive activity. [PubChem]","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of hairy cell leukaemia refractory to alpha interferon.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=128 mg/kg (mouse), side effects include lethargy, rash, fatigue, nausea and myelosuppression.","MechanismOfAction":"Pentostatin is a potent transition state inhibitor of adenosine deaminase (ADA), the greatest activity of which is found in cells of the lymphoid system. T-cells have higher ADA activity than B-cells, and T-cell malignancies have higher activity than B-cell malignancies. The cytotoxicity that results from prevention of catabolism of adenosine or deoxyadenosine is thought to be due to elevated intracellular levels of dATP, which can block DNA synthesis through inhibition of ribonucleotide reductase. Intracellular activation results in incorporation into DNA as a false purine base. An additional cytotoxic effect is related to its incorporation into RNA. Cytotoxicity is cell cycle phase-specific (S-phase).","Pharmacodynamics":"Pentostatin is an antineoplastic anti-metabolite used in the treatment of several forms of leukemia including acute nonlymphocytic leukemia and hairy cell leukemia. Anti-metabolites masquerade as purine or pyrimidine - which become the building blocks of DNA. They prevent these substances becoming incorporated in to DNA during the \"S\" phase (of the cell cycle), stopping normal development and division. It is a 6-thiopurine analogue of the naturally occurring purine bases hypoxanthine and guanine. Intracellular activation results in incorporation into DNA as a false purine base. An additional cytotoxic effect is related to its incorporation into RNA. Cytotoxicity is cell cycle phase-specific (S-phase).","Absorption":"Not absorbed orally, crosses blood brain barrier.","Interactions":[{"ID":"DB00531"},{"ID":"DB01073"},{"ID":"DB00061"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00553","Name":"Methoxsalen","DrugType":"small molecule","HalfLife":"Approximately 2 hours","Description":"A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA adducts in the presence of ultraviolet A irradiation. [PubChem]","Classification":{"Description":"This compound belongs to the 8-methoxypsoralens. These are psoralens containing a methoxy group attached at the C8 position of the psoralen group.","DirectParent":"8-Methoxypsoralens","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":"Furanocoumarins"},"Indication":"For the treatment of psoriasis and vitiligo","Toxicity":"","MechanismOfAction":"After activation it binds preferentially to the guanine and cytosine moieties of DNA, leading to cross-linking of DNA, thus inhibiting DNA synthesis and function.","Pharmacodynamics":"Methoxsalen selectively inhibits the synthesis of deoxyribonucleic acid (DNA). The guanine and cytosine content correlates with the degree of Methoxsalen-induced cross-linking. At high concentrations of the drug, cellular RNA and protein synthesis are also suppressed.","Absorption":"","Interactions":[{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB00252"},{"ID":"DB00382"},{"ID":"DB01623"},{"ID":"DB00697"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00554","Name":"Piroxicam","DrugType":"small molecule","HalfLife":"30 to 86 hours","Description":"A cyclooxygenase inhibiting, non-steroidal anti-inflammatory agent (NSAID) that is well established in treating rheumatoid arthritis and osteoarthritis and used for musculoskeletal disorders, dysmenorrhea, and postoperative pain. Its long half-life enables it to be administered once daily. [PubChem]","Classification":{"Description":"This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":""},"Indication":"For treatment of osteoarthritis and rheumatoid arthritis.","Toxicity":"Symptoms of overdose include drowsiness, nausea, stomach pain, and/or vomiting.","MechanismOfAction":"The antiinflammatory effect of Piroxicam may result from the reversible inhibition of cyclooxygenase, causing the peripheral inhibition of prostaglandin synthesis. The prostaglandins are produced by an enzyme called Cox-1. Piroxicam blocks the Cox-1 enzyme, resulting into the disruption of production of prostaglandins. Piroxicam also inhibits the migration of leukocytes into sites of inflammation and prevents the formation of thromboxane A2, an aggregating agent, by the platelets.","Pharmacodynamics":"Piroxicam is in a class of drugs called nonsteroidal anti-inflammatory drugs (NSAIDs). Piroxicam works by reducing hormones that cause inflammation and pain in the body. Piroxicam is used to reduce the pain, inflammation, and stiffness caused by rheumatoid arthritis and osteoarthritis.","Absorption":"Well absorbed following oral administration.","Interactions":[{"ID":"DB01193"},{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB00335"},{"ID":"DB08822"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB00187"},{"ID":"DB01381"},{"ID":"DB00598"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB06813"},{"ID":"DB00571"},{"ID":"DB00503"},{"ID":"DB00489"},{"ID":"DB00675"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB08814"},{"ID":"DB00440"},{"ID":"DB06684"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00077","Drugs":["DB00142","DB00143","DB00554","DB01373","DB01593","DB04557"]}]},{"ID":"DB00555","Name":"Lamotrigine","DrugType":"small molecule","HalfLife":"25 +/- 10 hours (healthy individuals); 42.9 hours (chronic renal failure)","Description":"Lamotrigine is an anticonvulsant drug used in the treatment of epilepsy and bipolar disorder. For epilepsy it is used to treat partial seizures, primary and secondary tonic-clonic seizures, and seizures associated with Lennox-Gastaut syndrome. Lamotrigine also acts as a mood stabilizer. It is the first medication since lithium granted Food and Drug Administration (FDA) approval for the maintenance treatment of bipolar type I. Chemically unrelated to other anticonvulsants, lamotrigine has relatively few side-effects and does not require blood monitoring. The exact way lamotrigine works is unknown. [Wikipedia]","Classification":{"Description":"This compound belongs to the dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.","DirectParent":"Dichlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For the adjunctive treatment of partial seizures in epilepsy and generalized seizures of Lennox-Gastaut syndrome. Also for the maintenance treatment of bipolar I disorder and depression. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=250 (mg/kg) (in rat, mice); LD\u003csub\u003e50\u003c/sub\u003e\u003e640 orally (mg/kg) (in rat, mice) (Sawyer). Symptoms of overdose include decreased level of consciousness, coma, delayed heartbeat, increased seizures, lack of coordination, and rolling eyeballs.","MechanismOfAction":"One proposed mechanism of action of Lamotrigine, the relevance of which remains to be established in humans, involves an effect on sodium channels. \u003ci\u003ein vitro\u003c/i\u003e pharmacological studies suggest that lamotrigine inhibits voltage-sensitive sodium channels and/or calcium channels, thereby stabilizing neuronal membranes and consequently modulating presynaptic transmitter release of excitatory amino acids (e.g., glutamate and aspartate). Studies on lamotrigine show binding to sodium channels similar to local anesthetics. ","Pharmacodynamics":"Lamotrigine, an antiepileptic drug (AED) of the phenyltriazine class, is chemically unrelated to existing antiepileptic drugs. Lamotrigine is also used in the treatment of depression and bipolar disorder. Lamotrigine is thought to exert its anticonvulsant effect by stabilizing presynaptic neuronal membranes. Lamotrigine inhibits sodium currents by selectively binding to the inactivated state of the sodium channel and subsequently suppresses the release of the excilatory amino acid, glutamate.","Absorption":"98%","Interactions":[{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00564"},{"ID":"DB00363"},{"ID":"DB00304"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB04953"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB05246"},{"ID":"DB00717"},{"ID":"DB00252"},{"ID":"DB01045"},{"ID":"DB00599"},{"ID":"DB00427"},{"ID":"DB00313"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00556","Name":"Perflutren","DrugType":"small molecule","HalfLife":"The mean half-life of OFP in blood 1.9 minutes","Description":"Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, is comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. When exposed to ultrasound waves, the microspheres resonate and \"echo\" strong signals back to the ultrasound machine. The difference in density between the gas-filled bubbles and the blood around them creates an increased level of contrast visible in the resulting ultrasound image. During echocardiography, activated Perflutren enhances images of the inner edges or borders of the heart, producing an improved image that may enable physicians to better diagnose patients.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Used as an ultrasound contrast imaging in cardiology and radiology.","Toxicity":"There is new temporal evidence that perflutren may be associated with new-onset seizure activity following perflutren microbubble contrast injection during dobutamine-atropine stress echocardiography. [PMID: 23432576]","MechanismOfAction":"Perflutren is comprised of gas-filled microspheres that are injected or infused into the body. When exposed to ultrasound waves, the microspheres resonate and \"echo\" strong signals back to the ultrasound machine. The difference in density between the gas-filled bubbles and the blood around them creates an increased level of contrast visible in the resulting ultrasound image. During echocardiography, activated Perflutren enhances images of the inner edges or borders of the heart, producing an improved image that may enable physicians to better diagnose patients.","Pharmacodynamics":"Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. It provide contrast enhancement of the endocardial borders during echocardiography. The perflutren lipid microspheres exhibit lower acoustic impedance than blood and enhance the intrinsic backscatter of blood.","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB06708"},{"ID":"DB00864"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00557","Name":"Hydroxyzine","DrugType":"small molecule","HalfLife":"20 to 25 hours","Description":"A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite cetirizine, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For symptomatic relief of anxiety and tension associated with psychoneurosis and as an adjunct in organic disease states in which anxiety is manifested. Useful in the management of pruritus due to allergic conditions such as chronic urticaria.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 950 mg/kg. Symptoms of overexposure include hypersedation.","MechanismOfAction":"Hydroxyzine competes with histamine for binding at H\u003csub\u003e1\u003c/sub\u003e-receptor sites on the effector cell surface, resulting in suppression of histaminic edema, flare, and pruritus. The sedative properties of hydroxyzine occur at the subcortical level of the CNS. Secondary to its central anticholinergic actions, hydroxyzine may be effective as an antiemetic.","Pharmacodynamics":"Hydroxyzine, a piperazine antihistamine structurally related to buclizine, cyclizine, and meclizine, is used to treat histamine-mediated pruritus or pruritus due to allergy, nausea and vomiting, and, in combination with an opiate agonist, anxiolytic pain. Hydroxyzine is also used as a perioperative sedative and anxiolytic and to manage acute alcohol withdrawal. Hydroxyzine's active metabolite, cetirizine, is also used as an H\u003csub\u003e1\u003c/sub\u003e-antagonist.","Absorption":"Rapidly absorbed from the gastrointestinal tract","Interactions":[{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01551"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000343","Name":"Hydroxyzine hydrochloride"},{"ID":"DBSALT000984","Name":"Hydroxyzine pamoate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00558","Name":"Zanamivir","DrugType":"small molecule","HalfLife":"2.5-5.1 hours","Description":"A guanido-neuraminic acid that is used to inhibit neuraminidase. [PubChem]","Classification":{"Description":"This compound belongs to the pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.","DirectParent":"Pyranoid Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"For the prevention and treatment of influenza A and B.","Toxicity":"","MechanismOfAction":"The proposed mechanism of action of zanamivir is via inhibition of influenza virus neuraminidase with the possibility of alteration of virus particle aggregation and release. By binding and inhibiting the neuraminidase protein, the drug renders the influenza virus unable to escape its host cell and infect others.","Pharmacodynamics":"Zanamivir, an antiviral agent, is a neuraminidase inhibitor indicated for treatment of uncomplicated acute illness due to influenza A and B virus in adults and pediatric patients 7 years and older who have been symptomatic for no more than 2 days. Zanamivir has also been shown to significantly inhibit the human sialidases NEU3 and NEU2 in the micromolar range (Ki 3.7 +/-0.48 and 12.9+/-0.07 microM, respectively), which could account for some of the rare side effects of zanamivir.","Absorption":"Absolute bioavailability is very low following oral administration (2%). Following oral inhalation, bioavailability is 4% to 17%.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00559","Name":"Bosentan","DrugType":"small molecule","HalfLife":"Terminal elimination half-life is about 5 hours in healthy adult subjects.","Description":"Bosentan is a dual endothelin receptor antagonist important in the treatment of pulmonary artery hypertension (PAH). It is licensed in the United States, the European Union and other countries by Actelion Pharmaceuticals for the management of PAH under the trade name Tracleer\u0026reg;. Bosentan is used to treat pulmonary hypertension by blocking the action of endothelin molecules that would otherwise promote narrowing of the blood vessels and lead to high blood pressure.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in the treatment of pulmonary arterial hypertension (PAH), to improve exercise ability and to decrease the rate of clinical worsening (in patients with WHO Class III or IV symptoms).","Toxicity":"Bosentan has been given as a single dose of up to 2400 mg in normal volunteers, or up to 2000 mg/day for 2 months in patients, without any major clinical consequences. The most common side effect was headache of mild to moderate intensity. In the cyclosporine A interaction study, in which doses of 500 and 1000 mg b.i.d. of bosentan were given concomitantly with cyclosporine A, trough plasma concentrations of bosentan increased 30-fold, resulting in severe headache, nausea, and vomiting, but no serious adverse events. Mild decreases in blood pressure and increases in heart rate were observed. There is no specific experience of overdosage with bosentan beyond the doses described above. Massive overdosage may result in pronounced hypotension requiring active cardiovascular support.","MechanismOfAction":"Endothelin-1 (ET-1) is a neurohormone, the effects of which are mediated by binding to ET\u003csub\u003eA\u003c/sub\u003e and ET\u003csub\u003eB\u003c/sub\u003e receptors in the endothelium and vascular smooth muscle. ET-1 concentrations are elevated in plasma and lung tissue of patients with pulmonary arterial hypertension, suggesting a pathogenic role for ET-1 in this disease. Bosentan is a specific and competitive antagonist at endothelin receptor types ET\u003csub\u003eA\u003c/sub\u003e and ET\u003csub\u003eB\u003c/sub\u003e. Bosentan has a slightly higher affinity for ET\u003csub\u003eA\u003c/sub\u003e receptors than for ET\u003csub\u003eB\u003c/sub\u003e receptors.","Pharmacodynamics":"Bosentan belongs to a class of drugs known as endothelin receptor antagonists (ERAs). Patients with PAH have elevated levels of endothelin, a potent blood vessel constrictor, in their plasma and lung tissue. Bosentan blocks the binding of endothelin to its receptors, thereby negating endothelin's deleterious effects.","Absorption":"Absolute bioavailability is approximately 50% and food does not affect absorption.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB01076"},{"ID":"DB00439"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB08866"},{"ID":"DB00977"},{"ID":"DB01016"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB00603"},{"ID":"DB01357"},{"ID":"DB00717"},{"ID":"DB01656"},{"ID":"DB00641"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB01124"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB08867"},{"ID":"DB05294"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00560","Name":"Tigecycline","DrugType":"small molecule","HalfLife":"27-43 hours","Description":"Tigecycline is a glycylcycline antibiotic developed and marketed by Wyeth under the brand name Tygacil. It was given a U.S. Food and Drug Administration (FDA) fast-track approval and was approved on June 17, 2005. It was developed in response to the growing prevalence of antibiotic resistance in bacteria such as Staphylococcus aureus.","Classification":{"Description":"This compound belongs to the naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.","DirectParent":"Naphthacenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"For the treatment of infections caused by susceptible strains of the designated microorganisms in the following conditions: Complicated skin and skin structure infections caused by \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eEnterococcus faecalis\u003c/i\u003e (vancomycin-susceptible isolates only), \u003ci\u003eStaphylococcus aureus\u003c/i\u003e (methicillin-susceptible and -resistant isolates), \u003ci\u003eStreptococcus agalactiae\u003c/i\u003e, \u003ci\u003eStreptococcus anginosus\u003c/i\u003e grp. (includes \u003ci\u003eS. anginosus\u003c/i\u003e, \u003ci\u003eS. intermedius\u003c/i\u003e, and \u003ci\u003eS. constellatus\u003c/i\u003e), \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e and \u003ci\u003eBacteroides fragilis\u003c/i\u003e. Complicated intra-abdominal infections caused by \u003ci\u003eCitrobacter freundii\u003c/i\u003e, \u003ci\u003eEnterobacter cloacae\u003c/i\u003e, \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eKlebsiella oxytoca\u003c/i\u003e, \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, \u003ci\u003eEnterococcus faecalis\u003c/i\u003e (vancomycin-susceptible isolates only), \u003ci\u003eStaphylococcus aureus\u003c/i\u003e (methicillin-susceptible isolates only), \u003ci\u003eStreptococcus anginosus\u003c/i\u003e grp. (includes \u003ci\u003eS. anginosus\u003c/i\u003e, \u003ci\u003eS. intermedius\u003c/i\u003e, and \u003ci\u003eS. constellatus\u003c/i\u003e), \u003ci\u003eBacteroides fragilis\u003c/i\u003e, \u003ci\u003eBacteroides thetaiotaomicron\u003c/i\u003e, \u003ci\u003eBacteroides uniformis\u003c/i\u003e, \u003ci\u003eBacteroides vulgatus\u003c/i\u003e, \u003ci\u003eClostridium perfringens\u003c/i\u003e, and \u003ci\u003ePeptostreptococcus micros\u003c/i\u003e.","Toxicity":"Since glycylcyclines are similar to tetracyclines, they share many of the same side effects and contraindications as tetracyclines. These side effects may include nausea/vomiting, headache, photosensitivity, discoloration of growing teeth, and fetal damage.","MechanismOfAction":"Tigecycline, a glycylcycline, inhibits protein translation in bacteria by binding to the 30S ribosomal subunit and blocking entry of amino-acyl tRNA molecules into the A site of the ribosome. This prevents incorporation of amino acid residues into elongating peptide chains. Tigecycline carries a glycylamido moiety attached to the 9-position of minocycline. The substitution pattern is not present in any naturally occurring or semisynthetic tetracycline and imparts certain microbiologic properties to tigecycline. Tigecycline is not affected by the two major tetracycline resistance mechanisms, ribosomal protection and efflux. Accordingly, tigecycline has demonstrated in vitro and in vivo activity against a broad spectrum of bacterial pathogens. There has been no cross resistance observed between tigecycline and other antibiotics. Tigecycline is not affected by resistance mechanisms such as beta-lactamases (including extended spectrum beta-lactamases), target site modifications, macrolide efflux pumps or enzyme target changes (e.g. gyrase/topoisomerase). In vitro studies have not demonstrated antagonism between tigecycline and other commonly used antibacterial drugs. In general, tigecycline is considered bacteriostatic.","Pharmacodynamics":"Tigecycline is the first clinically-available drug in a new class of antibiotics called the glycylcyclines. Glycylcyclines are a new class of antibiotics derived from tetracycline. These tetracycline analogues are specifically designed to overcome two common mechanisms of tetracycline resistance, namely resistance mediated by acquired efflux pumps and/or ribosomal protection. Glycylcycline antibiotics have a similar mechanism of action as tetracycline antibiotics. Both classes of antibiotics bind to the 30S ribosomal subunit to prevent the amino-acyl tRNA from binding to the A site of the ribosome. However, the glycylcyclines appear to bind more effectively than the tetracyclines.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00307"},{"ID":"DB00266"},{"ID":"DB00755"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00712","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00560","DB01972","DB02431","DB03685"]}]},{"ID":"DB00561","Name":"Doxapram","DrugType":"small molecule","HalfLife":"","Description":"A central respiratory stimulant with a brief duration of action. (From Martindale, The Extra Pharmocopoeia, 30th ed, p1225)","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For use as a temporary measure in hospitalized patients with acute respiratory insufficiency superimposed on chronic obstructive pulmonary disease.","Toxicity":"Intravenous LD\u003csub\u003e50\u003c/sub\u003e values in the mouse and rat were approximately 75 mg/kg and in the cat and dog were 40 to 80 mg/kg. Symptoms of overdosage are extensions of the pharmacologic effects of the drug. Excessive pressor effect, tachycardia, skeletal muscle hyperactivity, and enhanced deep tendon reflexes may be early signs of overdosage.","MechanismOfAction":"Doxapram produces respiratory stimulation mediated through the peripheral carotid chemoreceptors. It is thought to stimulate the carotid body by inhibiting certain potassium channels.","Pharmacodynamics":"Doxapram is an analeptic agent (a stimulant of the central nervous system). The respiratory stimulant action is manifested by an increase in tidal volume associated with a slight increase in respiratory rate. A pressor response may result following doxapram administration. Provided there is no impairment of cardiac function, the pressor effect is more marked in hypovolemic than in normovolemic states. The pressor response is due to the improved cardiac output rather than peripheral vasoconstriction. Following doxapram administration, an increased release of catecholamines has been noted.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000643","Name":"Doxapram Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00562","Name":"Benzthiazide","DrugType":"small molecule","HalfLife":"","Description":"Benzthiazide is used to treat hypertension and edema. Like other thiazides, benzthiazide promotes water loss from the body (diuretics). They inhibit Na+/Cl- reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue.","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"For the treatment of high blood pressure and management of edema.","Toxicity":"Symptoms of overdose include nausea, vomiting, fatigue, urinary problems and drowsiness.","MechanismOfAction":"As a diuretic, benzthiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like benzthiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of benzthiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle.","Pharmacodynamics":"Benzthiazide is used to treat hypertension and edema. Like other thiazides, benzthiazide promotes water loss from the body (diuretics). They inhibit Na\u003csup\u003e+\u003c/sup\u003e/Cl\u003csup\u003e-\u003c/sup\u003e reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue.","Absorption":"Absorbed in the digestive tract.","Interactions":[{"ID":"DB00390"},{"ID":"DB01356"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00563","Name":"Methotrexate","DrugType":"small molecule","HalfLife":"Low doses (less than 30 mg/m^2): 3 to 10 hours; High doses: 8 to 15 hours.","Description":"An antineoplastic antimetabolite with immunosuppressant properties. It is an inhibitor of tetrahydrofolate dehydrogenase and prevents the formation of tetrahydrofolate, necessary for synthesis of thymidylate, an essential component of DNA. [PubChem]","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Methotrexate is indicated in the treatment of gestational choriocarcinoma, chorioadenoma destruens and hydatidiform mole. In acute lymphocytic leukemia, methotrexate is indicated in the prophylaxis of meningeal leukemia and is used in maintenance therapy in combination with other chemotherapeutic agents. Methotrexate is also indicated in the treatment of meningeal leukemia. Methotrexate is used alone or in combination with other anticancer agents in the treatment of breast cancer, epidermoid cancers of the head and neck, advanced mycosis fungoides (cutaneous T cell lymphoma), and lung cancer, particularly squamous cell and small cell types. Methotrexate is also used in combination with other chemotherapeutic agents in the treatment of advanced stage non-Hodgkin’s lymphomas. Methotrexate is indicated in the symptomatic control of severe, recalcitrant, disabling psoriasis. Methotrexate is indicated in the management of selected adults with severe, active rheumatoid arthritis (ACR criteria), or children with active polyarticular-course juvenile rheumatoid arthritis. ","Toxicity":"Symptoms of overdose include bone marrow suppression and gastrointestinal toxicity. LD\u003csub\u003e50\u003c/sub\u003e=43mg/kg(orally in rat).","MechanismOfAction":"Methotrexate anti-tumor activity is a result of the inhibition of folic acid reductase, leading to inhibition of DNA synthesis and inhibition of cellular replication. The mechanism involved in its activity against rheumatoid arthritis is not known.","Pharmacodynamics":"Methotrexate is an antineoplastic anti-metabolite. Anti-metabolites masquerade as purine or pyrimidine - which become the building blocks of DNA. They prevent these substances becoming incorporated in to DNA during the \"S\" phase (of the cell cycle), stopping normal development and division. Methotrexate inhibits folic acid reductase which is responsible for the conversion of folic acid to tetrahydrofolic acid. At two stages in the biosynthesis of purines and at one stage in the synthesis of pyrimidines, one-carbon transfer reactions occur which require specific coenzymes synthesized in the cell from tetrahydrofolic acid. Tetrahydrofolic acid itself is synthesized in the cell from folic acid with the help of an enzyme, folic acid reductase. Methotrexate looks a lot like folic acid to the enzyme, so it binds to it quite strongly and inhibits the enzyme. Thus, DNA synthesis cannot proceed because the coenzymes needed for one-carbon transfer reactions are not produced from tetrahydrofolic acid because there is no tetrahydrofolic acid. Methotrexate selectively affects the most rapidly dividing cells (neoplastic and psoriatic cells). Methotrexate is also indicated in the management of severe, active, classical, or definite rheumatoid arthritis.","Absorption":"Oral absorption is dose dependent in adults and leukemic pediatric patients. In adults, peak serum levels are reached within one to two hours. At doses of 30 mg/m^2 or less, methotrexate is generally well absorbed with a mean bioavailability of 60%. At doses greater than 80 mg/m^2, the absorption of the doses is significantly less due to a saturation effect. ","Interactions":[{"ID":"DB00945"},{"ID":"DB00459"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB01602"},{"ID":"DB01053"},{"ID":"DB01294"},{"ID":"DB00578"},{"ID":"DB01432"},{"ID":"DB00537"},{"ID":"DB00515"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00091"},{"ID":"DB00586"},{"ID":"DB00485"},{"ID":"DB00861"},{"ID":"DB00390"},{"ID":"DB00254"},{"ID":"DB06210"},{"ID":"DB00754"},{"ID":"DB00749"},{"ID":"DB00926"},{"ID":"DB00573"},{"ID":"DB00301"},{"ID":"DB00712"},{"ID":"DB01320"},{"ID":"DB01611"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB01397"},{"ID":"DB00939"},{"ID":"DB00784"},{"ID":"DB00532"},{"ID":"DB02443"},{"ID":"DB00948"},{"ID":"DB00461"},{"ID":"DB00607"},{"ID":"DB00788"},{"ID":"DB00338"},{"ID":"DB00991"},{"ID":"DB00417"},{"ID":"DB00812"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB00554"},{"ID":"DB01604"},{"ID":"DB01032"},{"ID":"DB01168"},{"ID":"DB06372"},{"ID":"DB00533"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB01298"},{"ID":"DB00359"},{"ID":"DB06150"},{"ID":"DB01299"},{"ID":"DB01581"},{"ID":"DB01582"},{"ID":"DB00576"},{"ID":"DB01015"},{"ID":"DB00891"},{"ID":"DB06147"},{"ID":"DB00263"},{"ID":"DB00605"},{"ID":"DB00469"},{"ID":"DB00759"},{"ID":"DB01600"},{"ID":"DB01607"},{"ID":"DB00500"},{"ID":"DB00072"},{"ID":"DB00440"},{"ID":"DB01401"}],"Salts":[{"ID":"DBSALT000115","Name":"Methotrexate Sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00432","Drugs":["DB00116","DB00142","DB00158","DB00563","DB00650","DB01373"]}]},{"ID":"DB00564","Name":"Carbamazepine","DrugType":"small molecule","HalfLife":"Initial half-life values range from 25-65 hours, decreasing to 12-17 hours on repeated doses. ","Description":"An anticonvulsant used to control grand mal and psychomotor or focal seizures. Its mode of action is not fully understood, but some of its actions resemble those of phenytoin; although there is little chemical resemblance between the two compounds, their three-dimensional structure is similar. [PubChem]","Classification":{"Description":"This compound belongs to the dibenzazepines. These are compounds with two benzene rings connected by an azepine ring.","DirectParent":"Dibenzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":"Dibenzazepines"},"Indication":"For the treatment of epilepsy and pain associated with true trigeminal neuralgia. ","Toxicity":"Mild ingestions cause vomiting, drowsiness, ataxia, slurred speech, nystagmus, dystonic reactions, and hallucinations. Severe intoxications may produce coma, seizures, respiratory depression, and hypotension","MechanismOfAction":"Carbamazepine inhibits sustained repetitive firing by blocking use-dependent sodium channels. Pain relief is believed to be associated with blockade of synaptic transmission in the trigeminal nucleus and seizure control with reduction of post-tetanic potentiation of synaptic transmission in the spinal cord. Carbamazepine also possesses anticholinergic, central antidiuretic, antiarrhythmic, muscle relaxant, antidepressant (possibly through blockade of norepinephrine release), sedative, and neuromuscular-blocking properties.","Pharmacodynamics":"Carbamazepine, an anticonvulsant structurally similar to tricyclic antidepressants, is used to treat partial seizures, tonic-clonic seizures, pain of neurologic origin such as trigeminal neuralgia, and psychiatric disorders including manic-depressive illness and aggression due to dementia. The response to carbamazepine is variable and may be due to its variable transport, especially across the blood-brain-barrier. The transporter that may confer drug resistance is RALBP1. ","Absorption":"In clinical studies, carbamazepine suspension, conventional tablets, and extended-release tablets delivered equivalent amounts of drug to the systemic circulation. However, it has been observed that the suspension is somewhat faster absorbed. Furthermore, the extended-release tablet is slightly slower than the conventional tablet. The bioavailability of the extended-release tablet is 89%, compared to the suspension. Plasma levels of carbamazepine are variable. The time to peak concentration for the different formulations are as follows:\r\nSuspension = 1.5 hours;\r\nConventional tablets = 4-5 hours;\r\nExtended-release tablets = 3-12 hours. ","Interactions":[{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB00321"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB01238"},{"ID":"DB06216"},{"ID":"DB01076"},{"ID":"DB00732"},{"ID":"DB06769"},{"ID":"DB08873"},{"ID":"DB01156"},{"ID":"DB06772"},{"ID":"DB00501"},{"ID":"DB01211"},{"ID":"DB00363"},{"ID":"DB00091"},{"ID":"DB06695"},{"ID":"DB08912"},{"ID":"DB01406"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00647"},{"ID":"DB00266"},{"ID":"DB00343"},{"ID":"DB01135"},{"ID":"DB01142"},{"ID":"DB00254"},{"ID":"DB00651"},{"ID":"DB06210"},{"ID":"DB00199"},{"ID":"DB08866"},{"ID":"DB00977"},{"ID":"DB06414"},{"ID":"DB04953"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00317"},{"ID":"DB00502"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB00982"},{"ID":"DB01167"},{"ID":"DB08820"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB00555"},{"ID":"DB01202"},{"ID":"DB00367"},{"ID":"DB08882"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB00422"},{"ID":"DB01336"},{"ID":"DB00916"},{"ID":"DB00683"},{"ID":"DB01226"},{"ID":"DB01149"},{"ID":"DB00717"},{"ID":"DB00540"},{"ID":"DB01303"},{"ID":"DB01062"},{"ID":"DB01337"},{"ID":"DB06589"},{"ID":"DB08901"},{"ID":"DB08901"},{"ID":"DB01058"},{"ID":"DB01369"},{"ID":"DB08896"},{"ID":"DB08864"},{"ID":"DB00734"},{"ID":"DB00503"},{"ID":"DB01656"},{"ID":"DB06201"},{"ID":"DB01104"},{"ID":"DB00641"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00277"},{"ID":"DB00208"},{"ID":"DB00932"},{"ID":"DB06212"},{"ID":"DB00273"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00427"},{"ID":"DB01361"},{"ID":"DB01199"},{"ID":"DB08867"},{"ID":"DB00313"},{"ID":"DB05294"},{"ID":"DB01339"},{"ID":"DB08881"},{"ID":"DB00661"},{"ID":"DB06684"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00246"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00634","Drugs":["DB00564","DB00776"]}]},{"ID":"DB00565","Name":"Cisatracurium Besylate","DrugType":"small molecule","HalfLife":"Elimination half-life of 22 minutes.","Description":"Cisatracurium Besylate is a nondepolarizing skeletal muscle relaxant for intravenous administration. Cisatracurium Besylate acts on cholinergic receptors, blocking neuromuscular transmission. This action is antagonized by acetylcholinesterase inhibitors such as neostigmine. The neuromuscular block produced by cisatracurium besylate is readily antagonized by anticholinesterase agents once recovery has started. As with other nondepolarizing neuromuscular blocking agents, the more profound the neuromuscular block at the time of reversal, the longer the time required for recovery of neuromuscular function. Compared to other neuromuscular blocking agents, it is intermediate in its onset and duration of action.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For inpatients and outpatients as an adjunct to general anesthesia, to facilitate tracheal intubation, and to provide skeletal muscle relaxation during surgery or mechanical ventilation in the ICU.","Toxicity":"Overdosage with neuromuscular blocking agents may result in neuromuscular block beyond the time needed for surgery and anesthesia.","MechanismOfAction":"Cisatracurium Besylate binds to the nicotinic acetycholine (cholinergic) receptors in the motor endplate and blocks access to the receptors. In the process of binding, the receptor is actually activated - causing a process known as depolarization. Since it is not degraded in the neuromuscular junction, the depolarized membrane remains depolarized and unresponsive to any other impulse, causing muscle paralysis.","Pharmacodynamics":"Cisatracurium Besylate is a nondepolarizing skeletal muscle relaxant for intravenous administration. Cisatracurium Besylate acts on cholinergic receptors, blocking neuromuscular transmission. This action is antagonized by acetylcholinesterase inhibitors such as neostigmine. The neuromuscular block produced by cisatracurium besylate is readily antagonized by anticholinesterase agents once recovery has started. As with other nondepolarizing neuromuscular blocking agents, the more profound the neuromuscular block at the time of reversal, the longer the time required for recovery of neuromuscular function. Compared to other neuromuscular blocking agents, it is intermediate in its onset and duration of action.","Absorption":"","Interactions":[{"ID":"DB01111"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00566","Name":"Succimer","DrugType":"small molecule","HalfLife":"48 hours","Description":"A mercaptodicarboxylic acid used as an antidote to heavy metal poisoning because it forms strong chelates with them. [PubChem]","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"For the treatment of lead poisoning in pediatric patients with blood lead levels above 45 \u0026micro;g/dL. May also be used to treat mercury or arsenic poisoning.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in mice is over 5011 mg/kg. Doses of 2300 mg/kg in the rat and 2400 mg/kg in the mouse produced ataxia, convulsions, labored respiration and frequently death. No case of overdosage has been reported in humans. Limited data indicate that succimer is dialyzable.","MechanismOfAction":"Succimer is a heavy metal chelator. It binds with high specificity to ions of lead in the blood to form a water-soluble complex that is subsequently excreted by the kidneys. Succimer can also chelate mercury, cadmium, and arsenic in this manner.","Pharmacodynamics":"Succimer is an orally active, heavy metal chelating agent. It forms water soluble chelates and, consequently, increases the urinary excretion of lead. Succimer is not to be used for prophylaxis of lead poisoning in a lead-containing environment. In addition, the use of succimer should always be accompanied by identification and removal of the source of the lead exposure.","Absorption":"Rapid but variable.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00567","Name":"Cephalexin","DrugType":"small molecule","HalfLife":"1 hour","Description":"A semisynthetic cephalosporin antibiotic with antimicrobial activity similar to that of cephaloridine or cephalothin, but somewhat less potent. It is effective against both gram-positive and gram-negative organisms. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of respiratory tract infections caused by \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e and \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e; otitis media due to \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e, \u003ci\u003eStaphylococcus aureus\u003c/i\u003e, \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e, and \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e; skin and skin structure infections caused by \u003ci\u003eStaphylococcus aureus\u003c/i\u003e and/or \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e; bone infections caused by \u003ci\u003eStaphylococcus aureus\u003c/i\u003e and/or \u003ci\u003eProteus mirabilis\u003c/i\u003e; genitourinary tract infections, including acute prostatitis, caused by \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eProteus mirabilis\u003c/i\u003e, and \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e.","Toxicity":"Symptoms of overdose include blood in the urine, diarrhea, nausea, upper abdominal pain, and vomiting. The oral median lethal dose of cephalexin in rats is \u003e5000 mg/kg.","MechanismOfAction":"Cephalexin, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cephalexin interferes with an autolysin inhibitor.","Pharmacodynamics":"Cephalexin (also called Cefalexin) is a first generation cephalosporin antibiotic. It is one of the most widely prescribed antibiotics, often used for the treatment of superficial infections that result as complications of minor wounds or lacerations. It is effective against most gram-positive bacteria.","Absorption":"Well absorbed from the gastrointestinal tract","Interactions":[{"ID":"DB01032"}],"Salts":[{"ID":"DBSALT000261","Name":"Cefalexin Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00568","Name":"Cinnarizine","DrugType":"small molecule","HalfLife":"","Description":"Cinnarizine is an anti-histaminic drug which is mainly used for the control of vomiting due to motion sickness. Cinnarizine was first synthesized by Janssen Pharmaceutica in 1955.\r\n\r\nIt acts by interfering with the signal transmission between vestibular apparatus of the inner ear and the vomiting centre of the hypothalamus. The disparity of signal processing between inner ear motion receptors and the visual senses is abolished, so that the confusion of brain whether the individual is moving or standing is reduced. Vomiting in motion sickness is actually a physiological compensatory mechanism of the brain to keep the individual from moving so that it can adjust to the signal perception.\r\n\r\nCinnarizine could be also viewed as a nootropic drug because of its vasorelaxating abilities (due to calcium channel blockage), which happen mostly in brain. It is also effectively combined with other nootropics, primarily piracetam; in such combination each drug potentiate the other in boosting brain oxygen supply.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of vertigo/meniere's disease, nausea and vomiting, motion sickness and also useful for vestibular symptoms of other origins.","Toxicity":"","MechanismOfAction":"Cinnarizine inhibits contractions of vascular smooth muscle cells by blocking L-type and T-type voltage gated calcium channels. Cinnarizine has also been implicated in binding to dopamine D2 receptors, histamine H1 receptors, and muscarinic acetylcholine receptors. ","Pharmacodynamics":"Cinnarizine is an antihistamine and a calcium channel blocker. Histamines mediate a number of activities such as contraction of smooth muscle of the airways and gastrointestinal tract, vasodilatation, cardiac stimulation, secretion of gastric acid, promotion of interleukin release and chemotaxis of eosinophils and mast cells. Competitive antagonists at histamine H1 receptors may be divided into first (sedating) and second (non-sedating) generation agents. Some, such as Cinnarizine also block muscarinic acetylcholine receptors and are used as anti-emetic agents. Cinnarizine through its calcium channel blocking ability also inhibits stimulation of the vestibular system.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00569","Name":"Fondaparinux sodium","DrugType":"small molecule","HalfLife":"17-21 hours","Description":"Fondaparinux (Arixtra) is a synthetic pentasaccharide anticoagulant. Apart from the O-methyl group at the reducing end of the molecule, the identity and sequence of the five monomeric sugar units contained in fondaparinux is identical to a sequence of five monomeric sugar units that can be isolated after either chemical or enzymatic cleavage of the polymeric glycosaminoglycan heparin and heparan sulfate (HS). This monomeric sequence in heparin and HS is thought to form the high affinity binding site for the natural anti-coagulant factor, antithrombin III (ATIII). Binding of heparin/HS to ATIII has been shown to increase the anti-coagulant activity of antithrombin III 1000-fold. Fondaparinux potentiates the neutralizing action of ATIII on activated Factor X 300-fold. Fondaparinux may be used: to prevent venous thromboembolism in patients who have undergone orthopedic surgery of the lower limbs (e.g. hip fracture, hip replacement and knee surgery); to prevent VTE in patients undergoing abdominal surgery who are are at high risk of thromboembolic complications; in the treatment of deep vein thrombosis (DVT) and pumonary embolism (PE); in the management of unstable angina (UA) and non-ST segment elevation myocardial infarction (NSTEMI); and in the management of ST segment elevation myocardial infarction (STEMI).","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"Approved for: (1) prophylaxis of VTE for up to one month post surgery in patients undergoing orthopedic surgery of the lower limbs such as hip fracture, hip replacement and knee surgery; (2) prophylaxis of VTE patients undergoing abdominal surgery who are at high risk of thromboembolic complications (e.g. patients undergoing abdominal cancer surgery); (3) treatment of acute DVT and PE; (4) management of UA and NSTEMI for the prevention of death and subsequent myocardial infarction (MI); and (5) management of STEMI for the prevention of death and myocardial reinfarction in patients who are managed with thrombolytics or who are initially to receive no form of reperfusion therapy. Fondaparinux should not be used as the sole anticoagulant during percutaneous coronary intervention (PCI) due to an increased risk of guiding catheter thrombosis. ","Toxicity":"As with other anticoagulants, the main concern is increased bleed risk. The risk of hemorrhage may increase with decreased renal function, body mass less than 50 kg, and moderate to severe hepatic function. ","MechanismOfAction":"The antithrombotic activity of fondaparinux is the result of ATIII-mediated selective inhibition of Factor Xa. By selectively binding to ATIII, Fondaparinux potentiates (about 300 times) the neutralization of Factor Xa by ATIII. Neutralization of Factor Xa interrupts the blood coagulation cascade and thus inhibits thrombin formation and thrombus development. It is thought that fondaparinux is unlikely to induce thrombocytopenia via a heparin-induced thrombocytopenia (HIT)-like mechanism given its chemical structure (PMID 19825921). As a result, fondaparinux has been used as an alternative anticoagulant in heparin-induced thrombocytopenia (HIT) patients (PMID 19737996, 19432027, 18217156). However, it is important to note that rare cases of HIT have been reported in patients treated with fondaparinux (PMID 20351685, 20351686). ","Pharmacodynamics":"Fondaparinux binds specifically to the natural anticoagulant factor, ATIII. Binding to ATIII potentiates the neutralizing action of ATIII on Factor Xa 300-times. Neutralization of Factor Xa decreases the conversion of prothrombin to thrombin, which subsequently decreases the conversion of fibrinogen to fibrin (loose meshwork). The decrease in thrombin also decreases the activation of Factor XIII, which decreases the conversion of fibrin in its loose meshwork form to its stabilized meshwork form. Disruption of the coagulation cascade effectively decreases the formation of blood clots. Fondaparinux does not inactivate thrombin (activated Factor II). According to the manufacturer, fondaparinux has no known effect on platelet function. In studies comparing fondaparinux to enoxaparin, decreases in platelet levels were observed in similar numbers of patients from both groups (2-5%) (PMID 11794148, 12049860). At the recommended dose, Fondaparinux does not affect fibrinolytic activity or bleeding time. There is no antidote for fondaparinux. Monitoring of the anticoagulant activity of fondaparinux is not generally required. The anti-factor Xa assay may be used to monitor therapy in special populations such as those with renal impairment or who are pregnant. Complete blood count (CBC) and kidney function should be monitored during treatment. ","Absorption":"100% bioavailability when administered subcutaneously","Interactions":[{"ID":"DB00055"},{"ID":"DB01381"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00273","Drugs":["DB00569","DB01373"]}]},{"ID":"DB00570","Name":"Vinblastine","DrugType":"small molecule","HalfLife":"Triphasic: 35 min, 53 min, and 19 hours","Description":"Antitumor alkaloid isolated from Vinca rosea. (Merck, 11th ed.)","Classification":{"Description":"This compound belongs to the rhazinilam alkaloids.","DirectParent":"Rhazinilam Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Rhazinilam Alkaloids","SubClass":""},"Indication":"For treatment of breast cancer, testicular cancer, lymphomas, neuroblastoma, Hodgkin's and non-Hodgkin's lymphomas, mycosis fungoides, histiocytosis, and Kaposi's sarcoma.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 423 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 305 mg/kg.","MechanismOfAction":"The antitumor activity of vinblastine is thought to be due primarily to inhibition of mitosis at metaphase through its interaction with tubulin. Vinblastine binds to the microtubular proteins of the mitotic spindle, leading to crystallization of the microtubule and mitotic arrest or cell death.","Pharmacodynamics":"Vinblastine is a vinca alkaloid antineoplastic agent. The vinca alkaloids are structurally similar compounds comprised of 2 multiringed units: vindoline and catharanthine. The vinca alkaloids have become clinically useful since the discovery of their antitumour properties in 1959. Initially, extracts of the periwinkle plant (\u003ci\u003eCatharanthus roseus\u003c/i\u003e) were investigated because of putative hypoglycemic properties, but were noted to cause marrow suppression in rats and antileukemic effects \u003ci\u003ein vitro\u003c/i\u003e. Vinblastine has some immunosuppressant effect. The vinca alkaloids are considered to be cell cycle phase-specific.","Absorption":"","Interactions":[{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB06695"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB00954"},{"ID":"DB00199"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01097"},{"ID":"DB01601"},{"ID":"DB01110"},{"ID":"DB00305"},{"ID":"DB00108"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB00252"},{"ID":"DB01263"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB06145"},{"ID":"DB00976"},{"ID":"DB01036"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000644","Name":"Vinblastine Sulfate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00436","Drugs":["DB00570"]}]},{"ID":"DB00571","Name":"Propranolol","DrugType":"small molecule","HalfLife":"4 hours","Description":"A widely used non-cardioselective beta-adrenergic antagonist. Propranolol is used in the treatment or prevention of many disorders including acute myocardial infarction, arrhythmias, angina pectoris, hypertension, hypertensive emergencies, hyperthyroidism, migraine, pheochromocytoma, menopause, and anxiety. [PubChem]","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For the prophylaxis of migraine.","Toxicity":"Symptoms of overdose include bradycardia, cardiac failure, hypotension, and brochospasm. LD\u003csub\u003e50\u003c/sub\u003e=565 mg/kg (orally in mice).","MechanismOfAction":"Propranolol competes with sympathomimetic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart, inhibiting sympathetic stimulation. This results in a reduction in resting heart rate, cardiac output, systolic and diastolic blood pressure, and reflex orthostatic hypotension.","Pharmacodynamics":"Propranolol, the prototype of the beta-adrenergic receptor antagonists, is a competitive, nonselective beta-blocker similar to nadolol without intrinsic sympathomimetic activity. Propanolol is a racemic compound; the l-isomer is responsible for adrenergic blocking activity.","Absorption":"Propranolol is almost completely absorbed from the GI tract; however, plasma concentrations attained are quite variable among individuals.","Interactions":[{"ID":"DB00414"},{"ID":"DB01223"},{"ID":"DB01558"},{"ID":"DB00477"},{"ID":"DB00672"},{"ID":"DB00501"},{"ID":"DB00215"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB04855"},{"ID":"DB00651"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB00502"},{"ID":"DB01275"},{"ID":"DB01050"},{"ID":"DB05039"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00934"},{"ID":"DB00933"},{"ID":"DB00968"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB01303"},{"ID":"DB00715"},{"ID":"DB01174"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB00794"},{"ID":"DB01366"},{"ID":"DB01182"},{"ID":"DB00912"},{"ID":"DB01045"},{"ID":"DB00953"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB01104"},{"ID":"DB01162"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB01030"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT000549","Name":"Propranolol Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00572","Name":"Atropine","DrugType":"small molecule","HalfLife":"3.0 \u0026plusmn; 0.9 hours in adults. The half-life of atropine is slightly shorter (approximately 20 minutes) in females than males.","Description":"An alkaloid, originally from Atropa belladonna, but found in other plants, mainly solanaceae. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For the treatment of poisoning by susceptible organophosphorous nerve agents having cholinesterase activity as well as organophosphorous or carbamate insecticides.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 75 mg/kg. Symptoms of overdose includes widespread paralysis of parasympathetically innervated organs. Dry mucous membranes, widely dilated and nonresponsive pupils, tachycardia, fever and cutaneous flush are especially prominent, as are mental and neurological symptoms. In instances of severe intoxication, respiratory depression, coma, circulatory collapse and death may occur.","MechanismOfAction":"Atropine binds to and inhibit muscarinic acetylcholine receptors, producing a wide range of anticholinergic effects.","Pharmacodynamics":"Atropine, a naturally occurring belladonna alkaloid, is a racemic mixture of equal parts of d- and l-hyoscyamine, whose activity is due almost entirely to the levo isomer of the drug. Atropine is commonly classified as an anticholinergic or antiparasympathetic (parasympatholytic) drug. More precisely, however, it is termed an antimuscarinic agent since it antagonizes the muscarine-like actions of acetylcholine and other choline esters. Adequate doses of atropine abolish various types of reflex vagal cardiac slowing or asystole. The drug also prevents or abolishes bradycardia or asystole produced by injection of choline esters, anticholinesterase agents or other parasympathomimetic drugs, and cardiac arrest produced by stimulation of the vagus. Atropine may also lessen the degree of partial heart block when vagal activity is an etiologic factor. Atropine in clinical doses counteracts the peripheral dilatation and abrupt decrease in blood pressure produced by choline esters. However, when given by itself, atropine does not exert a striking or uniform effect on blood vessels or blood pressure.","Absorption":"Atropine is rapidly and well absorbed after intramuscular administration. Atropine disappears rapidly from the blood and is distributed throughout the various body tissues and fluids.","Interactions":[{"ID":"DB08810"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000281","Name":"Atropine Sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00573","Name":"Fenoprofen","DrugType":"small molecule","HalfLife":"Plasma half-life is approximately 3 hours.","Description":"An anti-inflammatory analgesic and antipyretic highly bound to plasma proteins. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"For relief of the signs and symptoms of rheumatoid arthritis and osteoarthritis. Also for the relief of mild to moderate pain.","Toxicity":"Symptoms of overdose appear within several hours and generally involve the gastrointestinal and central nervous systems. They include dyspepsia, nausea, vomiting, abdominal pain, dizziness, headache, ataxia, tinnitus, tremor, drowsiness, and confusion. Hyperpyrexia, tachycardia, hypotension, and acute renal failure may occur rarely following overdose. Respiratory depression and metabolic acidosis have also been reported following overdose with certain NSAIDs.","MechanismOfAction":"Fenoprofen's exact mode of action is unknown, but it is thought that prostaglandin synthetase inhibition is involved. Fenoprofen has been shown to inhibit prostaglandin synthetase isolated from bovine seminal vesicles.","Pharmacodynamics":"Fenoprofen is a propionic acid derivative with analgesic, antiinflammatory and antipyretic properties. Fenoprofen inhibits prostaglandin synthesis by decreasing the enzyme needed for biosynthesis. In patients with rheumatoid arthritis, the anti-inflammatory action of fenoprofen has been evidenced by relief of pain, increase in grip strength, and reductions in joint swelling, duration of morning stiffness, and disease activity (as assessed by both the investigator and the patient). In patients with osteoarthritis, the anti-inflammatory and analgesic effects of fenoprofen have been demonstrated by reduction in tenderness as a response to pressure and reductions in night pain, stiffness, swelling, and overall disease activity (as assessed by both the patient and the investigator). These effects have also been demonstrated by relief of pain with motion and at rest and increased range of motion in involved joints. In patients with rheumatoid arthritis and osteoarthritis, clinical studies have shown fenoprofen to be comparable to aspirin in controlling the aforementioned measures of disease activity, but mild gastrointestinal reactions (nausea, dyspepsia) and tinnitus occurred less frequently in patients treated with fenoprofen than in aspirin-treated patients. It is not known whether fenoprofen causes less peptic ulceration than does aspirin. In patients with pain, the analgesic action of fenoprofen has produced a reduction in pain intensity, an increase in pain relief, improvement in total analgesia scores, and a sustained analgesic effect.","Absorption":"Rapidly absorbed under fasting conditions, and peak plasma levels of 50 \u0026micro;g/mL are achieved within 2 hours after oral administration of 600 mg doses.","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB01381"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT001038","Name":"Fenoprofen calcium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00696","Drugs":["DB00142","DB00143","DB00573","DB01373","DB01593","DB04557"]}]},{"ID":"DB00574","Name":"Fenfluramine","DrugType":"small molecule","HalfLife":"20 hours","Description":"Fenfluramine was withdrawn from the U.S. market in 1997 after reports of heart valve disease and pulmonary hypertension, including a condition known as cardiac fibrosis.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the management of exogenous obesity as a short-term (a few weeks) adjunct in a regimen of weight reduction based on caloric restriction.","Toxicity":"Agitation and drowsiness, confusion, flushing, tremor (or shivering), fever, sweating, abdominal pain, hyperventilation, and dilated non-reactive pupils seem frequent in fenfluramine overdosage. Reflexes may be either exaggerated or depressed and some patients may have rotary nystagmus. Tachycardia may be present, but blood pressure may be normal or only slightly elevated. Convulsions, coma, and ventricular extrasystoles, culminating in ventricular fibrillation, and cardiac arrest, may occur at higher dosages. Less than 5 mg/kg are toxic to humans. Five-ten mg/kg may produce coma and convulsions. Reported single overdoses have ranged from 300 to 2000 mg; the lowest reported fatal dose was a few hundred mg in a small child, and the highest reported nonfatal dose was 1800 mg in an adult. Most deaths were apparently due to respiratory failure and cardiac arrest. Toxic effects will appear within 30 to 60 minutes and may progress rapidly to potentially fatal complications in 90 to 240 minutes. Symptoms may persist for extended periods depending upon the dose ingested.","MechanismOfAction":"Fenfluramine binds to the serotonin reuptake pump. This causes inhbition of serotonin uptake and release of serotonin. The increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates.","Pharmacodynamics":"Used to treat obesity, Fenfluramine decreases caloric intake by increasing serotonin levels in the brain's synapses. Fenfluramine acts as a serotonin reuptake inhibitor. It also causes release of serotonin from the synaptosomes. This in turn increases serotonin transmission in the feeding centre of the brain which suppresses appetite.","Absorption":"Fenfluramine is well-absorbed from the gastrointestinal tract, and a maximal anorectic effect is generally seen after 2 to 4 hours.","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00477"},{"ID":"DB00392"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01306"},{"ID":"DB01307"},{"ID":"DB01309"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB00777"},{"ID":"DB01367"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00285"}],"Salts":[{"ID":"DBSALT000802","Name":"Fenfluramine hydrochloride"}],"Groups":{"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB00575","Name":"Clonidine","DrugType":"small molecule","HalfLife":"6-20 hours; 40-60% is excreted in urine unchanged, 20% is excreted in feces. Less than 10% is excreted by \u003ci\u003ep\u003c/i\u003e-hydroxyclonidine. ","Description":"Clonidine, an imidazoline-derivative hypotensive agent is a centrally-acting \u0026alpha;\u003csub\u003e2\u003c/sub\u003e-adrenergic agonist. It crosses the blood-brain barrier and acts in the hypothalamus to induce a decrease in blood pressure. It may also be administered as an epidural infusion as an adjunct treatment in the management of severe cancer pain that is not relieved by opiate analgesics alone. Clonidine may be used for differential diagnosis of pheochromocytoma in hypertensive patients. Other uses for clonidine include prophylaxis of vascular migraine headaches, treatment of severe dysmenorrhea, management of vasomotor symptoms associated with menopause, rapid detoxification in the management of opiate withdrawal, treatment of alcohol withdrawal used in conjunction with benzodiazepines, management of nicotine dependence, topical use to reduce intraocular pressure in the treatment of open-angle and secondary glaucoma and hemorrhagic glaucoma associated with hypertension, and in the treatment of attention-deficit hyperactivity disorder (ADHD). Clonidine also exhibits some peripheral activity. ","Classification":{"Description":"This compound belongs to the dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.","DirectParent":"Dichlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"May be used as an adjunct in the treatment of hypertension, as an epidural infusion as an adjunct treatment in the management of severe cancer pain that is not relieved by opiate analgesics alone, for differential diagnosis of pheochromocytoma in hypertensive patients, prophylaxis of vascular migraine headaches, treatment of severe dysmenorrhea, management of vasomotor symptoms associated with menopause, rapid detoxification in the management of opiate withdrawal, treatment of alcohol withdrawal used in conjunction with benzodiazepines, management of nicotine dependence, topical use to reduce intraocular pressure in the treatment of open-angle and secondary glaucoma and hemorrhagic glaucoma associated with hypertension, and in the treatment of attention-deficit hyperactivity disorder (ADHD).","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e is 150 mg/kg in rat and 30 mg/kg in dog. Symptoms of overdose include constriction of pupils of the eye, drowsiness, high blood pressure followed by a drop in pressure, irritability, low body temperature, slowed breathing, slowed heartbeat, slowed reflexes, and weakness.","MechanismOfAction":"See Pharmacology section above. ","Pharmacodynamics":"Clonidine is an \u0026alpha;-adrenergic agent that acts specifically on \u0026alpha;\u003csub\u003e2\u003c/sub\u003e-receptors. \u0026alpha;\u003csub\u003e2\u003c/sub\u003e-receptors regulate a number of signaling pathways mediated by multiple G\u003csub\u003ei\u003c/sub\u003e proteins, G\u0026alpha;\u003csub\u003ei1\u003c/sub\u003e, G\u0026alpha;\u003csub\u003ei2\u003c/sub\u003e, and G\u0026alpha\u003csub\u003ei3\u003c/sub\u003e. Stimulation of \u0026alpha;\u003csub\u003e2\u003c/sub\u003e-receptors mediates effects such as inhibition of adenylyl cyclase, stimulation fo phospholipase D, stimulation of mitogen-activated protein kinases, stimulation of K\u003csup\u003e+\u003c/sup\u003e currents and inhibition of Ca\u003csup\u003e2+\u003c/sup\u003e currents. Three G-protein coupled \u0026alpha;\u003csub\u003e2\u003c/sub\u003e-receptor subtypes have been identified: \u0026alpha;\u003csub\u003e2A\u003c/sub\u003e, \u0026alpha;\u003csub\u003e2B\u003c/sub\u003e, and \u0026alpha;\u003csub\u003e2C\u003c/sub\u003e. Each subtype has a unique pattern of tissue distribution in the central nervous system and peripheral tissues. The \u0026alpha;\u003csub\u003e2A\u003c/sub\u003e-receptor is widely distributed throughout the central nervous system; it is found in the locus coeruleus, brain stem nuclei, cerebral cortex, septum, hypothalamus, and hippocampus. \u0026alpha;\u003csub\u003e2A\u003c/sub\u003e-receptors are also expressed in the kidneys, spleen, thymus, lung and salivary glands. The \u0026alpha;\u003csub\u003e2C\u003c/sub\u003e-receptor is primarily expressed in the central nervous system, including the striatum, olfactory tubercle, hippocampus and cerebral cortex. Low levels of the \u0026alpha;\u003csub\u003e2C\u003c/sub\u003e-subtype are also found in the kidneys. The \u0026alpha;\u003csub\u003e2B\u003c/sub\u003e-receptor is located primarily in the periphery (kidney, liver, lung and heart) with low levels of expression in the thalamic nuclei of the central nervous system. The \u0026alpha;\u003csub\u003e2A\u003c/sub\u003e- and \u0026alpha;\u003csub\u003e2C\u003c/sub\u003e-receptors are located presynaptically and inhibit the released of noradrenaline from sympathetic nerves. Stimulation of these receptors decreases sympathetic tone, resulting in decreases in blood pressure and heart rate. Sedation and analgesia is mediated by centrally located \u0026alpha;\u003csub\u003e2A\u003c/sub\u003e-receptors, while peripheral \u0026alpha;\u003csub\u003e2B\u003c/sub\u003e-receptors mediate constriction of vascular smooth muscle. \u0026alpha;\u003csub\u003e2A\u003c/sub\u003e-Receptors also mediate essential components of the analgesic effect of nitrous oxide in the spinal cord. Clonidine stimulates all three \u0026alpha;\u003csub\u003e2\u003c/sub\u003e-receptor subtypes with similar potency. Its actions in the nervous system decreases blood pressure in patients with hypertension and decreases sympathetic overactivity in patients undergoing opioid withdrawal. Clonidine is also a potent sedative and analgesic and can prevent post-operative shivering in intensive and post-operative care. Its use in differential diagnosis of pheochromocytoma owes to the fact that hypertension in patients with pheochromocytoma is refractory to antihypertensive treatment with clonidine. ","Absorption":"Well absorbed following oral administration. Bioavailability following chronic administration is approximately 65%.","Interactions":[{"ID":"DB01193"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00187"},{"ID":"DB00458"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB04896"},{"ID":"DB00370"},{"ID":"DB01203"},{"ID":"DB00540"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00344"},{"ID":"DB00489"},{"ID":"DB00373"},{"ID":"DB00374"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT000538","Name":"Clonidine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00576","Name":"Sulfamethizole","DrugType":"small molecule","HalfLife":"3-8 hours","Description":"A sulfathiazole antibacterial agent. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of urinary tract infection","Toxicity":"","MechanismOfAction":"Sulfamethizole is a competitive inhibitor of bacterial enzyme dihydropteroate synthetase. The normal para-aminobenzoic acid (PABA) substrate is prevented from binding. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Pharmacodynamics":"Sulfamethizole is a sulfonamide antibiotic. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"Rapidly absorbed.","Interactions":[{"ID":"DB00672"},{"ID":"DB01320"},{"ID":"DB06146"},{"ID":"DB00563"},{"ID":"DB00252"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00577","Name":"Valaciclovir","DrugType":"small molecule","HalfLife":"2.5-3.3 hours","Description":"Valaciclovir (INN) or valacyclovir (USAN) is an antiviral drug used in the management of herpes simplex and herpes zoster (shingles). It is a prodrug, being converted in vivo to aciclovir. It is marketed by GlaxoSmithKline under the trade name Valtrex or Zelitrex. [Wikipedia]","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment or suppression of cold sores (herpes labialis), herpes zoster (shingles), genital herpes in immunocompetent individuals, and recurrent genital herpes in HIV-infected individuals.","Toxicity":"Adverse effects of overexposure might include headache and nausea.","MechanismOfAction":"Valaciclovir is phosphorylated by viral thymidine kinase to acyclovir triphosphate (the active metabolite) which then inhibits herpes viral DNA replication by competitive inhibition of viral DNA polymerase, and by incorporation into and termination of the growing viral DNA chain. When used as a substrate for viral DNA polymerase, acyclovir triphosphate competitively inhibits dATP leading to the formation of 'faulty' DNA. This is where acyclovir triphosphate is incorporated into the DNA strand replacing many of the adenosine bases. This results in the prevention of DNA synthesis, as phosphodiester bridges can longer to be built, destabilizing the strand.","Pharmacodynamics":"Valaciclovir (INN) or Valacyclovir (USAN) is a prodrug and synthetic purine nucleoside analogue with inhibitory activity against herpes simplex virus types 1 (HSV-1), 2 (HSV-2), varicella-zoster virus (VZV), Epstein-Barr virus (EBV), and cytomegalovirus (CMV). Valaciclovir is almost completely converted to acyclovir and L-valine. The inhibitory activity of valaciclovir is highly selective due to its affinity for the enzyme thymidine kinase (TK) encoded by HSV and VZV. This viral enzyme converts acyclovir into acyclovir monophosphate, which is then converted into acyclovir diphosphate and triphosphate by cellular enzymes. Acyclovir is selectively converted to the active triphosphate form by cells infected with herpes viruses.","Absorption":"After oral administration, valaciclovir hydrochloride is rapidly absorbed from the gastrointestinal tract. The absolute bioavailability of acyclovir after administration of valaciclovir is 54.5% \u0026plusmn; 9.1%.","Interactions":null,"Salts":[{"ID":"DBSALT000289","Name":"Valaciclovir Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00578","Name":"Carbenicillin","DrugType":"small molecule","HalfLife":"1 hour","Description":"Broad-spectrum semisynthetic penicillin derivative used parenterally. It is susceptible to gastric juice and penicillinase and may damage platelet function. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of acute and chronic infections of the upper and lower urinary tract and in asymptomatic bacteriuria due to susceptible strains of bacteria.","Toxicity":"Carbenicillin blood levels achievable are very low, and toxic reactions as a function of overdosage should not occur systematically. The oral LD\u003csub\u003e50\u003c/sub\u003e in mice is 3,600 mg/kg, in rats 2,000 mg/kg, and in dogs is in excess of 500 mg/kg. The lethal human dose is not known. Symptoms of overdose include diarrhea, nausea, stomach upset, and vomiting.","MechanismOfAction":"Free carbenicillin is the predominant pharmacologically active fraction of the salt. Carbenicillin exerts its antibacterial activity by interference with final cell wall synthesis of susceptible bacteria. Penicillins acylate the penicillin-sensitive transpeptidase C-terminal domain by opening the lactam ring. This inactivation of the enzyme prevents the formation of a cross-link of two linear peptidoglycan strands, inhibiting the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that carbenicillin interferes with an autolysin inhibitor.","Pharmacodynamics":"Carbenicillin is a semisynthetic penicillin. Though carbenicillin provides substantial \u003ci\u003ein vitro\u003c/i\u003e activity against a variety of both gram-positive and gram-negative microorganisms, the most important aspect of its profile is in its antipseudomonal and antiproteal activity. Because of the high urine levels obtained following administration, carbenicillin has demonstrated clinical efficacy in urinary infections due to susceptible strains of: \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eProteus mirabilis\u003c/i\u003e, \u003ci\u003eProteus vulgaris\u003c/i\u003e, \u003ci\u003eMorganella morganii\u003c/i\u003e, \u003ci\u003ePseudomonas\u003c/i\u003e species, \u003ci\u003eProvidencia rettgeri\u003c/i\u003e, \u003ci\u003eEnterobacter\u003c/i\u003e species, and \u003ci\u003eEnterococci\u003c/i\u003e (\u003ci\u003eS. faecalis\u003c/i\u003e).","Absorption":"Rapidly absorbed from the small intestine following oral administration. Oral bioavailability is 30 to 40%.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00579","Name":"Mazindol","DrugType":"small molecule","HalfLife":"10-13 hours","Description":"Mazindol is a tricyclic anorexigenic agent unrelated to and less toxic than amphetamine, but with some similar side effects. It inhibits uptake of catecholamines and blocks the binding of cocaine to the dopamine uptake transporter. Mazindol is only approved in the United States for the treatment of Duchenne muscular dystrophy, and is not marketed or available in the United States for use in the treatment of obesity.","Classification":{"Description":"This compound belongs to the isoindoles. These are heteropolycyclic compounds whose structure contain isoindole, a benzo-fused pyrrole.","DirectParent":"Isoindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindoles"},"Indication":"Used in short-term (a few weeks) treatment of exogenous obesity in conjunction with a regimen of weight reduction based on caloric restriction, exercise, and behavior modification in patients with a body mass index of 30 kg of body weight per height in meters squared (kg/m\u003csup\u003e2\u003c/sup\u003e) or in patients with a body mass index of 27 kg/m\u003csup\u003e2\u003c/sup\u003e in the presence of risk factors such as hypertension, diabetes, or hyperlipidemia.","Toxicity":"Symptoms of a mazindol overdose include restlessness, tremor, rapid breathing, confusion, hallucinations, panic, aggressiveness, nausea, vomiting, diarrhea, an irregular heartbeat, and seizures.","MechanismOfAction":"Although the mechanism of action of the sympathomimetics in the treatment of obesity is not fully known, these medications have pharmacological effects similar to those of amphetamines. Unlike other sympathomimetic appetite suppressants such as phentermine, mazindol is thought to inhibit the reuptake of norepinephrine rather than to cause its release.","Pharmacodynamics":"Mazindol is a sympathomimetic amine, which is similar to an amphetamine. Mazindol stimulates the central nervous system (nerves and brain), which increases your heart rate and blood pressure and decreases your appetite. Sympathomimetic appetite suppressants are used in the short-term treatment of obesity. Their appetite-reducing effect tends to decrease after a few weeks. Because of this, these medicines are useful only during the first few weeks of a weight-loss program.","Absorption":"","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00477"},{"ID":"DB00392"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB00777"},{"ID":"DB01367"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00285"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00580","Name":"Valdecoxib","DrugType":"small molecule","HalfLife":"8-11 hours","Description":"Valdecoxib was removed from the Canadian, U.S., and E.U. markets in 2005 due to concerns about possible increased risk of heart attack and stroke.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the treatment of osteoarthritis and dysmenorrhoea","Toxicity":"Symptoms following acute NSAID overdoses are usually limited to lethargy, drowsiness, nausea, vomiting, and epigastric pain, which are generally reversible with supportive care. Gastrointestinal bleeding can occur. Hypertension, acute renal failure, respiratory depression and coma may occur, but are rare.","MechanismOfAction":"Both COX-1 and COX-2 catalyze the conversion of arachidonic acid to prostaglandin (PG) H2, the precursor of PGs and thromboxane. Valdecoxib selectively inhibits the cyclooxygenase-2 (COX-2) enzyme, important for the mediation of inflammation and pain. Unlike non-selective NSAIDs, valdecoxib does not inhibit platelet aggregation.","Pharmacodynamics":"Valdecoxib, a selective cyclooxygenase-2 (COX-2) inhibitor, is classified as a nonsteroidal anti-inflammatory drug (NSAID). Valdecoxib is used for its anti-inflammatory, analgesic, and antipyretic activities in the management of osteoarthritis (OA) and for the treatment of dysmenorrhea or acute pain. Unlike celecoxib, valdecoxib lacks a sulfonamide chain and does not require CYP450 enzymes for metabolism.","Absorption":"Oral bioavailability is 83%.","Interactions":[{"ID":"DB00196"},{"ID":"DB01026"},{"ID":"DB01356"}],"Salts":null,"Groups":{"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB00581","Name":"Lactulose","DrugType":"small molecule","HalfLife":"1.7-2 hours","Description":"A synthetic disaccharide used in the treatment of constipation and hepatic encephalopathy. It has also been used in the diagnosis of gastrointestinal disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p887)","Classification":{"Description":"This compound belongs to the mixed pentose/hexose disaccharides. These are disaccharides containing both an hexose and a pentose.","DirectParent":"Mixed Pentose/Hexose Disaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"For the treatment of constipation and hepatic encephalopathy.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=18.2 g/kg (oral, rat). Side effects include diarrhea and resultant dehydration.","MechanismOfAction":"Lactulose is a synthetic sugar used in the treatment of constipation and liver disease. It consists of the monosaccharides fructose and galactose. In the colon, lactulose is broken down primarily to lactic acid, and also to small amounts of formic and acetic acids, by the action of via evolved-beta galactosidase from colonic bacteria, which results in an increase in osmotic pressure and slight acidification of the colonic contents. This in turn causes an increase in stool water content and softens the stool. In treating heptic diseases (hepatic encephalopathy) it is thought that lactulose draws out ammonia from the body in the same way that it draws out water into the colon.","Pharmacodynamics":"Therapeutically, lactulose has laxative and ammonia-detoxifying actions. In treating constipation lactulose metabolites draw water into the bowel, causing a cathartic effect through osmotic action.","Absorption":"Poorly absorbed from the gastrointestinal tract as no human enzyme that is capable of hydrolysis of this disaccharide is present in human gastrointestinal tissue.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00582","Name":"Voriconazole","DrugType":"small molecule","HalfLife":"","Description":"Voriconazole (Vfend®, Pfizer) is a triazole antifungal medication used to treat serious fungal infections. It is used to treat invasive fungal infections that are generally seen in patients who are immunocompromised. These include invasive candidiasis, invasive aspergillosis, and emerging fungal infections.","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"For the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by \u003ci\u003eScedosporium apiospermum\u003c/i\u003e and \u003ci\u003eFusarium\u003c/i\u003e spp.","Toxicity":"The minimum lethal oral dose in mice and rats was 300 mg/kg (equivalent to 4 and 7 times the recommended maintenance dose (RMD), based on body surface area). At this dose, clinical signs observed in both mice and rats included salivation, mydriasis, titubation (loss of balance while moving), depressed behavior, prostration, partially closed eyes, and dyspnea. Other signs in mice were convulsions, corneal opacification and swollen abdomen.","MechanismOfAction":"Voriconazole binds and inhibits ergosterol synthesis by inhibiting CYP450-dependent 14-alpha sterol demethylase. The inhibition of 14-alpha sterol demethylase results in a depletion of ergosterol in fungal cell membrane.","Pharmacodynamics":"Voriconazole is a triazole antifungal agent indicated for use in the treatment of fungal infections including invasive aspergillosis, esophageal candidiasis, and serious fungal infections caused by \u003ci\u003eScedosporium apiospermum\u003c/i\u003e (asexual form of \u003ci\u003ePseudallescheria boydii\u003c/i\u003e) and \u003ci\u003eFusarium\u003c/i\u003e spp. including \u003ci\u003eFusarium solani\u003c/i\u003e. Fungal plasma membranes are similar to mammalian plasma membranes, differing in having the nonpolar sterol ergosterol, rather than cholesterol, as the principal sterol. Membrane sterols such as ergosterol provide structure, modulation of membrane fluidity, and possibly control of some physiologic events. Voriconazole effects the formation of the fungal plasma membrane by indirectly inhibiting the biosynthesis of ergosterol. This results in plasma membrane permeability changes and inhibition of growth.","Absorption":"The oral bioavailability is estimated to be 96% (CV 13%).","Interactions":[{"ID":"DB00106"},{"ID":"DB05812"},{"ID":"DB00802"},{"ID":"DB00346"},{"ID":"DB00918"},{"ID":"DB00404"},{"ID":"DB06403"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00381"},{"ID":"DB01351"},{"ID":"DB00543"},{"ID":"DB00701"},{"ID":"DB06605"},{"ID":"DB00714"},{"ID":"DB00673"},{"ID":"DB01238"},{"ID":"DB06413"},{"ID":"DB01169"},{"ID":"DB06697"},{"ID":"DB06216"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB00865"},{"ID":"DB00612"},{"ID":"DB00188"},{"ID":"DB00559"},{"ID":"DB01558"},{"ID":"DB01200"},{"ID":"DB01222"},{"ID":"DB00921"},{"ID":"DB00490"},{"ID":"DB01008"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB06772"},{"ID":"DB00248"},{"ID":"DB00136"},{"ID":"DB01101"},{"ID":"DB00564"},{"ID":"DB00475"},{"ID":"DB00608"},{"ID":"DB01114"},{"ID":"DB00672"},{"ID":"DB01410"},{"ID":"DB01166"},{"ID":"DB01012"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB00349"},{"ID":"DB01242"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00907"},{"ID":"DB01394"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB00250"},{"ID":"DB00496"},{"ID":"DB01264"},{"ID":"DB01254"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB01234"},{"ID":"DB00829"},{"ID":"DB00586"},{"ID":"DB00900"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB01248"},{"ID":"DB00204"},{"ID":"DB00757"},{"ID":"DB01142"},{"ID":"DB00997"},{"ID":"DB04855"},{"ID":"DB04855"},{"ID":"DB00450"},{"ID":"DB00625"},{"ID":"DB00216"},{"ID":"DB00700"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB01215"},{"ID":"DB00402"},{"ID":"DB00593"},{"ID":"DB00773"},{"ID":"DB06414"},{"ID":"DB01590"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB00813"},{"ID":"DB01195"},{"ID":"DB00322"},{"ID":"DB00196"},{"ID":"DB00180"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00690"},{"ID":"DB00712"},{"ID":"DB00499"},{"ID":"DB00588"},{"ID":"DB01319"},{"ID":"DB00529"},{"ID":"DB01320"},{"ID":"DB01044"},{"ID":"DB00317"},{"ID":"DB01241"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB01050"},{"ID":"DB00308"},{"ID":"DB01181"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00224"},{"ID":"DB00328"},{"ID":"DB00762"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB00270"},{"ID":"DB08820"},{"ID":"DB04845"},{"ID":"DB01221"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB00281"},{"ID":"DB01601"},{"ID":"DB00227"},{"ID":"DB00408"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB04835"},{"ID":"DB00784"},{"ID":"DB00358"},{"ID":"DB00814"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB01403"},{"ID":"DB00353"},{"ID":"DB01110"},{"ID":"DB00683"},{"ID":"DB00370"},{"ID":"DB00745"},{"ID":"DB00680"},{"ID":"DB00218"},{"ID":"DB00731"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01115"},{"ID":"DB04868"},{"ID":"DB00393"},{"ID":"DB00401"},{"ID":"DB01054"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00104"},{"ID":"DB00338"},{"ID":"DB01229"},{"ID":"DB00738"},{"ID":"DB00556"},{"ID":"DB01186"},{"ID":"DB03575"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB01621"},{"ID":"DB00554"},{"ID":"DB08901"},{"ID":"DB01588"},{"ID":"DB01058"},{"ID":"DB00794"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB08896"},{"ID":"DB00912"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00734"},{"ID":"DB00503"},{"ID":"DB06228"},{"ID":"DB08877"},{"ID":"DB00938"},{"ID":"DB01232"},{"ID":"DB06335"},{"ID":"DB01105"},{"ID":"DB00203"},{"ID":"DB06207"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB06268"},{"ID":"DB01591"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB06145"},{"ID":"DB01323"},{"ID":"DB00708"},{"ID":"DB00263"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01124"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB06684"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00583","Name":"L-Carnitine","DrugType":"small molecule","HalfLife":"17.4 hours (elimination) following a single intravenous dose.\r\n","Description":"Constituent of striated muscle and liver. It is used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias. [PubChem]","Classification":{"Description":"This compound belongs to the carnitines. These are organic compounds containing the quaternary ammonium compound carnitine.","DirectParent":"Carnitines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Carnitines"},"Indication":"For treatment of primary systemic carnitine deficiency, a genetic impairment of normal biosynthesis or utilization of levocarnitine from dietary sources, or for the treatment of secondary carnitine deficiency resulting from an inborn error of metabolism such as glutaric aciduria II, methyl malonic aciduria, propionic acidemia, and medium chain fatty acylCoA dehydrogenase deficiency. Used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias. Parenteral levocarnitine is indicated for the prevention and treatment of carnitine deficiency in patients with end-stage renal disease.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e \u003e 8g/kg (mouse, oral). Adverse effects include hypertension, fever, tachycardia and seizures.","MechanismOfAction":"Levocarnitine can be synthesised within the body from the amino acids lysine or methionine. Vitamin C (ascorbic acid) is essential to the synthesis of carnitine. Levocarnitine is a carrier molecule in the transport of long chain fatty acids across the inner mitochondrial membrane. It also exports acyl groups from subcellular organelles and from cells to urine before they accumulate to toxic concentrations. Only the L isomer of carnitine (sometimes called vitamin BT) affects lipid metabolism. Levocarnitine is handled by several proteins in different pathways including carnitine transporters, carnitine translocases, carnitine acetyltransferases and carnitine palmitoyltransferases.","Pharmacodynamics":"Levocarnitine is a carrier molecule in the transport of long chain fatty acids across the inner mitochondrial membrane. It also exports acyl groups from subcellular organelles and from cells to urine before they accumulate to toxic concentrations. Lack of carnitine can lead to liver, heart, and muscle problems. Carnitine deficiency is defined biochemically as abnormally low plasma concentrations of free carnitine, less than 20 \u0026micro;mol/L at one week post term and may be associated with low tissue and/or urine concentrations. Further, this condition may be associated with a plasma concentration ratio of acylcarnitine/levocarnitine greater than 0.4 or abnormally elevated concentrations of acylcarnitine in the urine. Only the L isomer of carnitine (sometimes called vitamin BT) affects lipid metabolism. The \"vitamin BT\" form actually contains D,L-carnitine, which competitively inhibits levocarnitine and can cause deficiency. Levocarnitine can be used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias.","Absorption":"Absolute bioavailability is 15% (tablets or solution).\r\nTime to maximum plasma concentration was found to be 3.3 hours. ","Interactions":null,"Salts":[{"ID":"DBSALT001037","Name":"L-Carnitin Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00539","Drugs":["DB00583"]},{"ID":"SMP00235","Drugs":["DB00583"]},{"ID":"SMP00545","Drugs":["DB00583"]},{"ID":"SMP00538","Drugs":["DB00583"]},{"ID":"SMP00185","Drugs":["DB00583"]},{"ID":"SMP00542","Drugs":["DB00583"]},{"ID":"SMP00181","Drugs":["DB00583"]},{"ID":"SMP00541","Drugs":["DB00583"]},{"ID":"SMP00051","Drugs":["DB00583"]},{"ID":"SMP00540","Drugs":["DB00583"]},{"ID":"SMP00052","Drugs":["DB00583"]},{"ID":"SMP00482","Drugs":["DB00583","DB03193"]},{"ID":"SMP00517","Drugs":["DB00583"]},{"ID":"SMP00516","Drugs":["DB00583"]},{"ID":"SMP00030","Drugs":["DB00126","DB00139","DB00583","DB01592"]},{"ID":"SMP00465","Drugs":["DB00118","DB00126","DB00139","DB00145","DB00583","DB01592"]}]},{"ID":"DB00584","Name":"Enalapril","DrugType":"small molecule","HalfLife":"\u003c 2 hours for unchanged enalapril in health individuals, may be increased in those with congestive heart failure (3.4 and 5.8 hours for single 5- and 10-mg doses, respectively). The average terminal half life of enalaprilat is 35-38 hours. The effective half life following multiple doses is 11-14 hours. ","Description":"Enalapril is a prodrug that belongs to the angiotensin-converting enzyme (ACE) inhibitor class of medications. It is rapidly metabolized in the liver to enalaprilat following oral administration. Enalaprilat is a potent, competitive inhibitor of ACE, the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Enalapril may be used to treat essential or renovascular hypertension and symptomatic congestive heart failure. ","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of essential or renovascular hypertension and symptomatic congestive heart failure. It may be used alone or in combination with thiazide diuretics.","Toxicity":"Overdosage may result in marked hypotension and stupor. Most common adverse effects include hypotension, headache, dizziness and fatigue. ","MechanismOfAction":"There are two isoforms of ACE: the somatic isoform, which exists as a glycoprotein comprised of a single polypeptide chain of 1277; and the testicular isoform, which has a lower molecular mass and is thought to play a role in sperm maturation and binding of sperm to the oviduct epithelium. Somatic ACE has two functionally active domains, N and C, which arise from tandem gene duplication. Although the two domains have high sequence similarity, they play distinct physiological roles. The C-domain is predominantly involved in blood pressure regulation while the N-domain plays a role in hematopoietic stem cell differentiation and proliferation. ACE inhibitors bind to and inhibit the activity of both domains, but have much greater affinity for and inhibitory activity against the C-domain. Enalaprilat, the principle active metabolite of enalapril, competes with ATI for binding to ACE and inhibits and enzymatic proteolysis of ATI to ATII. Decreasing ATII levels in the body decreases blood pressure by inhibiting the pressor effects of ATII as described in the Pharmacology section above. Enalapril also causes an increase in plasma renin activity likely due to a loss of feedback inhibition mediated by ATII on the release of renin and/or stimulation of reflex mechanisms via baroreceptors. Enalaprilat's affinity for ACE is approximately 200,000 times greater than that of ATI and 300-1000 times greater than that enalapril. ","Pharmacodynamics":"Enalapril is a prodrug that is rapidly metabolized by liver esterases to enalaprilat following oral administration. Enalapril itself has little pharmacologic activity. Enalaprilat lowers blood pressure by antagonizing the effect of the RAAS. The RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from the granular cells of the juxtaglomerular apparatus in the kidneys. In the blood stream, renin cleaves circulating angiotensinogen to ATI, which is subsequently cleaved to ATII by ACE. ATII increases blood pressure using a number of mechanisms. First, it stimulates the secretion of aldosterone from the adrenal cortex. Aldosterone travels to the distal convoluted tubule (DCT) and collecting tubule of nephrons where it increases sodium and water reabsorption by increasing the number of sodium channels and sodium-potassium ATPases on cell membranes. Second, ATII stimulates the secretion of vasopressin (also known as antidiuretic hormone or ADH) from the posterior pituitary gland. ADH stimulates further water reabsorption from the kidneys via insertion of aquaporin-2 channels on the apical surface of cells of the DCT and collecting tubules. Third, ATII increases blood pressure through direct arterial vasoconstriction. Stimulation of the Type 1 ATII receptor on vascular smooth muscle cells leads to a cascade of events resulting in myocyte contraction and vasoconstriction. In addition to these major effects, ATII induces the thirst response via stimulation of hypothalamic neurons. ACE inhibitors inhibit the rapid conversion of ATI to ATII and antagonize RAAS-induced increases in blood pressure. ACE (also known as kininase II) is also involved in the enzymatic deactivation of bradykinin, a vasodilator. Inhibiting the deactivation of bradykinin increases bradykinin levels and may sustain the effects of enalaprilat by causing increased vasodilation and decreased blood pressure.","Absorption":"55-75%, absorption is unaffected by food; enalaprilat (clinically administered IV) is poorly absorbed, 3-12%, due to its high polarity. ","Interactions":[{"ID":"DB00594"},{"ID":"DB08822"},{"ID":"DB01395"},{"ID":"DB06196"},{"ID":"DB00046"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB01045"},{"ID":"DB00421"},{"ID":"DB00697"},{"ID":"DB00684"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":[{"ID":"DBSALT001036","Name":"Enalapril Maleate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00148","Drugs":["DB00584","DB01593"]},{"ID":"SMP00593","Drugs":["DB00584","DB01593"]}]},{"ID":"DB00585","Name":"Nizatidine","DrugType":"small molecule","HalfLife":"1-2 hours","Description":"A histamine H2 receptor antagonist with low toxicity that inhibits gastric acid secretion. The drug is used for the treatment of duodenal ulcers. [PubChem]","Classification":{"Description":"This compound belongs to the 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 4 only.","DirectParent":"2,4-disubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, active benign gastric ulcer, and active duodenal ulcer.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 301 mg/kg. Symptoms of overdose include cholinergic-type effects including lacrimation, salivation, emesis, miosis, and diarrhea.","MechanismOfAction":"Nizatidine competes with histamine for binding at the H\u003csub\u003e2\u003c/sub\u003e-receptors on the gastric basolateral membrane of parietal cells. Competitive inhibition results in reduction of basal and nocturnal gastric acid secretions. The drug also decreases the gastric acid response to stimuli such as food, caffeine, insulin, betazole, or pentagastrin.","Pharmacodynamics":"Nizatidine is a competitive, reversible inhibitor of histamine at the histamine H2-receptors, particularly those in the gastric parietal cells. By inhibiting the action of histamine on stomach cells, nizatidine reduces stomach acid production. Nizatidine had no demonstrable antiandrogenic action. Full-dose therapy for the problems treated by nizatidine lasts no longer than 8 weeks. It has been demonstrated that treatment with a reduced dose of nizatidine is effective as maintenance therapy following healing of active duodenal ulcers.","Absorption":"Rapid (bioavailability of nizatidine exceeds 70%)","Interactions":[{"ID":"DB01072"},{"ID":"DB01066"},{"ID":"DB00467"},{"ID":"DB01167"},{"ID":"DB01026"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00233","Drugs":["DB00585","DB01345","DB01593"]}]},{"ID":"DB00586","Name":"Diclofenac","DrugType":"small molecule","HalfLife":"2 hours","Description":"A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For the acute and chronic treatment of signs and symptoms of osteoarthritis and rheumatoid arthritis.","Toxicity":"Symptoms of overdose include loss of consciousness, increased intracranial pressure, and aspiration pneumonitis. LD\u003csub\u003e50\u003c/sub\u003e=390mg/kg (orally in mice)","MechanismOfAction":"The antiinflammatory effects of diclofenac are believed to be due to inhibition of both leukocyte migration and the enzyme cylooxygenase (COX-1 and COX-2), leading to the peripheral inhibition of prostaglandin synthesis. As prostaglandins sensitize pain receptors, inhibition of their synthesis is responsible for the analgesic effects of diclofenac. Antipyretic effects may be due to action on the hypothalamus, resulting in peripheral dilation, increased cutaneous blood flow, and subsequent heat dissipation.","Pharmacodynamics":"Diclofenac is an acetic acid nonsteroidal antiinflammatory drug (NSAID) with analgesic and antipyretic properties. Diclofenac is used to treat pain, dysmenorrhea, ocular inflammation, osteoarthritis, rheumatoid arthritis, ankylosing spondylitis, and actinic keratosis","Absorption":"Completely absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB06781"},{"ID":"DB06210"},{"ID":"DB01381"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB01045"},{"ID":"DB00382"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00697"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB06684"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000864","Name":"Diclofenac potassium"},{"ID":"DBSALT000466","Name":"Diclofenac sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00093","Drugs":["DB00142","DB00143","DB00586","DB01373","DB01593","DB04557"]}]},{"ID":"DB00587","Name":"Cinalukast","DrugType":"small molecule","HalfLife":"","Description":"Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For Protection against second- phase inflamation in exercise-induced bronchoconstriction and Asthma.","Toxicity":"","MechanismOfAction":"Binds to the cysteinyl leukotriene receptor. The cysteinyl leukotrienes (LTC4, LTD\u003csub\u003e4\u003c/sub\u003e, LTE4) are products of arachidonic acid metabolism and are released from various cells, including mast cells and eosinophils. These eicosanoids bind to cysteinyl leukotriene receptors (CysLT) found in the human airway. Cysteinyl leukotrienes and leukotriene receptor occupation have been correlated with the pathophysiology of asthma, including airway edema, smooth muscle contraction, and altered cellular activity associated with the inflammatory process, which contribute to the signs and symptoms of asthma.","Pharmacodynamics":"Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD\u003csub\u003e4\u003c/sub\u003e) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD\u003csub\u003e4\u003c/sub\u003e at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00588","Name":"Fluticasone Propionate","DrugType":"small molecule","HalfLife":"Terminal elimination half-life = 7.8 hours ","Description":"Fluticasone propionate, a medium-potency synthetic corticosteroid, is used topically to relieve inflammatory and pruritic symptoms of dermatoses and psoriasis, intranasally to manage symptoms of allergic and non-allergic rhinitis, and orally for the treatment of asthma. Fluticasone proprionate is marketed under several different brand names such as Flonase®. Fluticasone propionate is also available as a combination product of azelastine hydrochloride and fluticasone propionate called Dymista™. Dymista™ is indicated in patients over 12 years old for symptomatic relief of seasonal allergic rhinitis.","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"Fluticasone propionate, a medium-potency synthetic corticosteroid, is used topically to relieve inflammatory and pruritic symptoms of dermatoses and psoriasis, intranasally to manage symptoms of allergic and non-allergic rhinitis, and orally for the maintenance treatment of asthma as prophylactic therapy and for patients requiring oral corticosteroid therapy for asthma.","Toxicity":"","MechanismOfAction":"Binds to the glucocorticoid receptor. Unbound corticosteroids cross the membranes of cells such as mast cells and eosinophils, binding with high affinity to glucocorticoid receptors (GR). The results include alteration of transcription and protein synthesis, a decreased release of leukocytic acid hydrolases, reduction in fibroblast proliferation, prevention of macrophage accumulation at inflamed sites, reduction of collagen deposition, interference with leukocyte adhesion to the capillary wall, reduction of capillary membrane permeability and subsequent edema, reduction of complement components, inhibition of histamine and kinin release, and interference with the formation of scar tissue. In the management of asthma, the glucocorticoid receptor complexes down-regulates proinflammatory mediators such as interleukin-(IL)-1, 3, and 5, and up-regulates anti-inflammatory mediators such as IkappaB [inhibitory molecule for nuclear factor kappaB1], IL-10, and IL-12. The antiinflammatory actions of corticosteroids are also thought to involve inhibition of cytosolic phospholipase A2 (through activation of lipocortin-1 (annexin)) which controls the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes.","Pharmacodynamics":"Fluticasone is an extremely potent vasoconstrictor and anti-inflammatory agent. Its effectiveness in inhaled forms is due to its direct local effect.","Absorption":"The extent of percutaneous absorption of topical corticosteroids is determined by many factors, including the vehicle and the integrity of the epidermal barrier.\r\nBioavailability, intranasal = \u003c2%;\r\nOral bioavailability is negligible and the major circulating entity is an inactive metabolite. ","Interactions":[{"ID":"DB00872"},{"ID":"DB08865"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT001035","Name":"Fluticasone Propionate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00589","Name":"Lisuride","DrugType":"small molecule","HalfLife":"","Description":"An ergot derivative that acts as an agonist at dopamine D2 receptors (dopamine agonists). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (serotonin agonists). [PubChem]","Classification":{"Description":"This compound belongs to the indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.","DirectParent":"Indoloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Indoloquinolines"},"Indication":"For the management of Parkinson's Disease","Toxicity":"","MechanismOfAction":"Lisuride is an anti-Parkinson drug chemically related to the dopaminergic ergoline Parkinson's drugs. Lisuride binds to the 5-HT(1A) and 5-HT(2A/2C) receptors. It is also thought to bind to the dopamine receptor and to act as a dopamine agonist. Evidence has also emerged that Lisuride also binds to the Histamine H1 receptor. Lisuride is also used to lower prolactin and, in low doses, to prevent migraine attacks. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001034","Name":"Lysuride Maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00590","Name":"Doxazosin","DrugType":"small molecule","HalfLife":"22 hours","Description":"Doxazosin is a quinazoline-derivative that selectively antagonizes postsynaptic \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors. It may be used to mild to moderate hypertension and in the management of symptomatic benign prostatic hyperplasia (BPH). \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-Receptors mediate contraction and hypertrophic growth of smooth muscle cells. Antagonism of these receptors leads to smooth muscle relaxation in the peripheral vasculature and prostate gland.","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For treatment and management of mild to moderate hypertension and urinary obstruction symptoms caused by BPH.","Toxicity":"Symptoms of overdose include hypotension. Oral LD\u003csub\u003e50\u003c/sub\u003e is greater than 1000 mg/kg in mice and rats.","MechanismOfAction":"Doxazosin acts by inhibiting the postsynaptic alpha(1)-adrenoceptors on vascular smooth muscle. This inhibits the vasoconstrictor effect of circulating and locally released catecholamines (epinephrine and norepinephrine), resulting in peripheral vasodilation.","Pharmacodynamics":"Doxazosin is an alpha-adrenergic blocking agent used to treat hypertension and benign prostatic hyperplasia. Accordingly, Doxazosin is a selective inhibitor of the alpha1 subtype of alpha adrenergic receptors. In the human prostate, Doxazosin antagonizes phenylephrine (alpha1 agonist)-induced contractions, \u003ci\u003ein vitro\u003c/i\u003e, and binds with high affinity to the alpha1c adrenoceptor, which is thought to be the predominant functional type in the prostate. Studies in normal human subjects have shown that Doxazosin competitively antagonized the pressor effects of phenylephrine (an alpha1 agonist) and the systolic pressor effect of norepinephrine. The antihypertensive effect of Doxazosin results from a decrease in systemic vascular resistance and the parent compound Doxazosin is primarily responsible for the antihypertensive activity.","Absorption":"65%","Interactions":[{"ID":"DB00820"},{"ID":"DB00706"},{"ID":"DB00374"},{"ID":"DB00862"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00591","Name":"Fluocinolone Acetonide","DrugType":"small molecule","HalfLife":"1.3-1.7 hours","Description":"A glucocorticoid derivative used topically in the treatment of various skin disorders. It is usually employed as a cream, gel, lotion, or ointment. It has also been used topically in the treatment of inflammatory eye, ear, and nose disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p732). It is also being investigated by Sivida and Alimera, under the brand name Medidur, as a sustained release intraocular implant for the treatment of diabetic macular edema.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. Also for the treatment of chronic non-infectious uveitis affecting the posterior segment of the eye (Retisert).","Toxicity":"","MechanismOfAction":"Fluocinolone Acetonide is a corticosteroid that binds to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Specifically glucocorticoids induce lipocortin-1 (annexin-1) synthesis, which then binds to cell membranes preventing the phospholipase A2 from coming into contact with its substrate arachidonic acid. This leads to diminished eicosanoid production. Cyclooxygenase (both COX-1 and COX-2) expression is also suppressed, potentiating the effect. In another words, the two main products in inflammation Prostaglandins and Leukotrienes are inhibited by the action of Glucocorticoids. Glucocorticoids also stimulate the lipocortin-1 escaping to the extracellular space, where it binds to the leukocyte membrane receptors and inhibits various inflammatory events: epithelial adhesion, emigration, chemotaxis, phagocytosis, respiratory burst and the release of various inflammatory mediators (lysosomal enzymes, cytokines, tissue plasminogen activator, chemokines etc.) from neutrophils, macrophages and mastocytes. Additionally the immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Like other glucocorticoid agents Fluocinolone acetonide acts as a physiological antagonist to insulin by decreasing glycogenesis (formation of glycogen). It also promotes the breakdown of lipids (lipolysis), and proteins, leading to the mobilization of extrahepatic amino acids and ketone bodies. This leads to increased circulating glucose concentrations (in the blood). There is also decreased glycogen formation in the liver.","Pharmacodynamics":"","Absorption":"Rapidly absorbed (15 minutes)","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00592","Name":"Piperazine","DrugType":"small molecule","HalfLife":"","Description":"Piperazine is an organic compound that consists of a six-membered ring containing two opposing nitrogen atoms. Piperazine exists as small alkaline deliquescent crystals with a saline taste.\r\n\r\nPiperazine was introduced to medicine as a solvent for uric acid. When taken into the body the drug is partly oxidized and partly eliminated unchanged. Outside the body, piperazine has a remarkable power to dissolve uric acid and producing a soluble urate, but in clinical experience it has not proved equally successful.\r\n\r\nPiperazine was first introduced as an anthelmintic in 1953. A large number of piperazine compounds have anthelmintic action. Their mode of action is generally by paralysing parasites, which allows the host body to easily remove or expel the invading organism.","Classification":{"Description":"This compound belongs to the diazinanes. These are organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen atoms.","DirectParent":"Diazinanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazinanes","SubClass":""},"Indication":"Used as alternative treatment for ascariasis caused by \u003ci\u003eAscaris lumbricoides\u003c/i\u003e (roundworm) and enterobiasis (oxyuriasis) caused by \u003ci\u003eEnterobius vermicularis\u003c/i\u003e (pinworm). It is also used to treat partial intestinal obstruction by the common roundworm, a condition primarily occurring in children.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 5 g/kg (Human, oral). Symptoms of overdose include muscle fatigue, seizures, and difficulty breathing.","MechanismOfAction":"Piperazine is a GABA receptor agonist. Piperzine binds directly and selectively to muscle membrane GABA receptors, presumably causing hyperpolarization of nerve endings, resulting in flaccid paralysis of the worm. While the worm is paralyzed, it is dislodged from the intestinal lumen and expelled live from the body by normal intestinal peristalsis.","Pharmacodynamics":"Piperazine is an anthelminthic especially useful in the treatment of partial intestinal obstruction caused by Ascaris worms, which is a condition primarily seen in children. Piperazine hydrate and piperazine citrate are the main anthelminthic piperazines.","Absorption":"Rapidly absorbed from the gastrointestinal tract","Interactions":null,"Salts":[{"ID":"DBSALT000775","Name":"Piperazine citrate"},{"ID":"DBSALT000773","Name":"Piperazine hexahydrate"},{"ID":"DBSALT000774","Name":"Piperazine hydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00593","Name":"Ethosuximide","DrugType":"small molecule","HalfLife":"53 hours","Description":"An anticonvulsant especially useful in the treatment of absence seizures unaccompanied by other types of seizures. [PubChem]","Classification":{"Description":"This compound belongs to the pyrrolidones. These are compounds containing a pyrrolidine ring which bears a ketone.","DirectParent":"Pyrrolidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Pyrrolidones"},"Indication":"For the treatment of petit mal epilepsy.","Toxicity":"Acute overdoses may produce nausea, vomiting, and CNS depression including coma with respiratory depression.","MechanismOfAction":"Binds to T-type voltage sensitive calcium channels. Voltage-sensitive calcium channels (VSCC) mediate the entry of calcium ions into excitable cells and are also involved in a variety of calcium-dependent processes, including muscle contraction, hormone or neurotransmitter release, gene expression, cell motility, cell division and cell death. The isoform alpha-1G gives rise to T-type calcium currents. T-type calcium channels belong to the \"low-voltage activated (LVA)\" group and are strongly blocked by mibefradil. A particularity of this type of channels is an opening at quite negative potentials and a voltage-dependent inactivation. T-type channels serve pacemaking functions in both central neurons and cardiac nodal cells and support calcium signaling in secretory cells and vascular smooth muscle. They may also be involved in the modulation of firing patterns of neurons which is important for information processing as well as in cell growth processes.","Pharmacodynamics":"Used in the treatment of epilepsy. Ethosuximide suppresses the paroxysmal three cycle per second spike and wave activity associated with lapses of consciousness which is common in absence (petit mal) seizures. The frequency of epileptiform attacks is reduced, apparently by depression of the motor cortex and elevation of the threshold of the central nervous system to convulsive stimuli.","Absorption":"Bioavailability following oral administration is 93%.","Interactions":[{"ID":"DB00976"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00594","Name":"Amiloride","DrugType":"small molecule","HalfLife":"Plasma half-life varies from 6 to 9 hours.","Description":"A pyrazine compound inhibiting sodium reabsorption through sodium channels in renal epithelial cells. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with diuretics to spare potassium loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705)","Classification":{"Description":"This compound belongs to the pyrazinecarboxamides. These are compounds containing a pyrazine ring which bears a carboxamide.","DirectParent":"Pyrazinecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"For use as adjunctive treatment with thiazide diuretics or other kaliuretic-diuretic agents in congestive heart failure or hypertension.","Toxicity":"No data are available in regard to overdosage in humans. The oral LD\u003csub\u003e50\u003c/sub\u003e of amiloride hydrochloride (calculated as the base) is 56 mg/kg in mice and 36 to 85 mg/kg in rats, depending on the strain. The most likely signs and symptoms to be expected with overdosage are dehydration and electrolyte imbalance.","MechanismOfAction":"Amiloride works by inhibiting sodium reabsorption in the distal convoluted tubules and collecting ducts in the kidneys by binding to the amiloride-sensitive sodium channels. This promotes the loss of sodium and water from the body, but without depleting potassium. Amiloride exerts its potassium sparing effect through the inhibition of sodium reabsorption at the distal convoluted tubule, cortical collecting tubule and collecting duct; this decreases the net negative potential of the tubular lumen and reduces both potassium and hydrogen secretion and their subsequent excretion. Amiloride is not an aldosterone antagonist and its effects are seen even in the absence of aldosterone.","Pharmacodynamics":"Amiloride, an antikaliuretic-diuretic agent, is a pyrazine-carbonyl-guanidine that is unrelated chemically to other known antikaliuretic or diuretic agents. It is an antihypertensive, potassium-sparing diuretic that was first approved for use in 1967 and helps to treat hypertension and congestive heart failure. The drug is often used in conjunction with thiazide or loop diuretics. Due to its potassium-sparing capacities, hyperkalemia (high blood potassium levels) are occasionally observed in patients taking amiloride. The risk is high in concurrent use of ACE inhibitors or spironolactone. Patients are also advised not to use potassium-containing salt replacements.","Absorption":"Readily absorbed following oral administration.","Interactions":[{"ID":"DB00542"},{"ID":"DB00796"},{"ID":"DB01197"},{"ID":"DB01340"},{"ID":"DB01341"},{"ID":"DB00584"},{"ID":"DB00700"},{"ID":"DB00876"},{"ID":"DB01342"},{"ID":"DB00492"},{"ID":"DB01029"},{"ID":"DB00722"},{"ID":"DB00678"},{"ID":"DB00691"},{"ID":"DB00790"},{"ID":"DB01344"},{"ID":"DB01345"},{"ID":"DB00881"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00178"},{"ID":"DB01347"},{"ID":"DB01348"},{"ID":"DB01349"},{"ID":"DB00966"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00177"}],"Salts":[{"ID":"DBSALT000270","Name":"Amiloride Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00133","Drugs":["DB00151","DB00594","DB01345","DB03904"]}]},{"ID":"DB00595","Name":"Oxytetracycline","DrugType":"small molecule","HalfLife":"","Description":"A tetracycline analog isolated from the actinomycete streptomyces rimosus and used in a wide variety of clinical conditions. [PubChem]","Classification":{"Description":"This compound belongs to the naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.","DirectParent":"Naphthacenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"Oxytetracycline is indicated for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including \u003ci\u003eMycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae\u003c/i\u003e (respiratory infections), and \u003ci\u003eDiplococcus pneumoniae\u003c/i\u003e.","Toxicity":"Adverse effects may include stomach or bowel upsets and rarely allergic reactions. Very rarely severe headache and vision problems may be signs of dangerous intracranial hypertenion.","MechanismOfAction":"Oxytetracycline inhibits cell growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Oxytetracycline is lipophilic and can easily pass through the cell membrane or passively diffuses through porin channels in the bacterial membrane.","Pharmacodynamics":"Oxytetracycline is known as a broad-spectrum antibiotic due to its activity against such a wide range of infections. It was the second of the tetracyclines to be discovered. Oxytetracycline, like other tetracyclines, is used to treat many infections common and rare. Its better absorption profile makes it preferable to tetracycline for moderately severe acne, but alternatives sould be sought if no improvement occurs by 3 months.","Absorption":"Readily absorbed following oral administration.","Interactions":[{"ID":"DB00459"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB01053"},{"ID":"DB01373"},{"ID":"DB00578"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00485"},{"ID":"DB00977"},{"ID":"DB00926"},{"ID":"DB00301"},{"ID":"DB00893"},{"ID":"DB00982"},{"ID":"DB01378"},{"ID":"DB00417"},{"ID":"DB00319"},{"ID":"DB01604"},{"ID":"DB01605"},{"ID":"DB01607"},{"ID":"DB00755"}],"Salts":[{"ID":"DBSALT000645","Name":"Oxytetracycline Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00293","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00595","DB01972","DB02431","DB03685"]}]},{"ID":"DB00596","Name":"Halobetasol Propionate","DrugType":"small molecule","HalfLife":"","Description":"Halobetasol propionate is thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. It is used for the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses.","Toxicity":"","MechanismOfAction":"Halobetasol propionate is thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. The initial interaction, however, is due to the drug binding to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes.","Pharmacodynamics":"","Absorption":"The extent of percutaneous absorption of topical corticosteroids is determined by many factors including the vehicle and the integrity of the epidermal barrier. Inflammation and/or other disease processes in the skin may increase percutaneous absorption.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00597","Name":"Gadoteridol","DrugType":"small molecule","HalfLife":"Distribution 12 minutes (mean), elimination 100 minutes (mean).","Description":"Gadoteridol provides contrast enhancement of the brain, spine and surrounding tissues resulting in improved visualization (compared with unenhanced MRI) of lesions with abnormal vascularity or those thought to cause a disruption of the normal blood brain barrier. Gadoteridol can also be used for whole body contrast enhanced MRI including the head, neck, liver, breast, musculoskeletal system and soft tissue pathologies. n MRI, visualization of normal and pathological brain tissue depends in part on variations in the radiofrequency signal intensity that occur with changes in proton density, alteration of the T1, and variation in T2. When placed in a magnetic field, gadoteridol shortens the T1 relaxation time in tissues where it accumulates. Abnormal vascularity or disruption of the blood-brain barrier allows accumulation of gadoteridol in lesions such as neoplasms, abscesses, and subacute infarcts.","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Gadoteridol is an MRI contrast agent used for contrast enhancement of the brain, spine and surrounding tissues resulting in improved visualization (compared with unenhanced MRI) of lesions with abnormal vascularity or those thought to cause a disruption of the normal blood brain barrier. Gadoteridol can also be used for whole body contrast enhanced MRI including the head, neck, liver, breast, musculoskeletal system and soft tissue pathologies.","Toxicity":"","MechanismOfAction":"Based on the behavior of protons when placed in a strong magnetic field, which is interpreted and transformed into images by magnetic resonance (MR) instruments. Paramagnetic agents have unpaired electrons that generate a magnetic field about 700 times larger than the proton's field, thus disturbing the proton's local magnetic field. When the local magnetic field around a proton is disturbed its relaxation process is altered. MR images are based on proton density and proton relaxation dynamics. MR instruments can record two different relaxation processes, the T1 (spin-lattice or longitudinal relaxation time) and T2 (spin-spin or transverse relaxation time). In MRI, visualization of normal and pathological brain tissue depends in part on variations in the radiofrequency signal intensity that occur with changes in proton density, alteration of the T1, and variation in T2. When placed in a magnetic field, gadoteridol shortens the T1 relaxation time in tissues where it accumulates. Gadoteridol does not cross the intact blood-brain barrier; therefore, it does not accumulate in normal brain tissue or in central nervous system (CNS) lesions that have not caused an abnormal blood-brain barrier (e.g., cysts, mature post-operative scars). Abnormal vascularity or disruption of the blood-brain barrier allows accumulation of gadoteridol in lesions such as neoplasms, abscesses, and subacute infarcts.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00598","Name":"Labetalol","DrugType":"small molecule","HalfLife":"6-8 hours","Description":"Blocker of both alpha- and beta-adrenergic receptors that is used as an antihypertensive. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"For the management of hypertension (alone or in combination with other classes of antihypertensive agents), as well as chronic stable angina pectoris and sympathetic overactivity syndrome associated with severe tetanus. Labetalol is used parenterally for immediate reduction in blood pressure in severe hypertension or in hypertensive crises when considered an emergency, for the control of blood pressure in patients with pheochromocytoma and pregnant women with preeclampsia, and to produce controlled hypotension during anesthesia to reduce bleeding resulting from surgical procedures.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 66 mg/kg (Rat, IV). Side effects or adverse reactions include dizziness when standing up, very low blood pressure, severely slow heartbeat, weakness, diminished sexual function, fatigue","MechanismOfAction":"Labetalol HCl combines both selective, competitive, alpha-1-adrenergic blocking and nonselective, competitive, beta-adrenergic blocking activity in a single substance. In man, the ratios of alpha- to beta- blockade have been estimated to be approximately 1:3 and 1:7 following oral and intravenous (IV) administration, respectively. The principal physiologic action of labetalol is to competitively block adrenergic stimulation of β-receptors within the myocardium (β1-receptors) and within bronchial and vascular smooth muscle (β2-receptors), and α1-receptors within vascular smooth muscle. This causes a decrease in systemic arterial blood pressure and systemic vascular resistance without a substantial reduction in resting heart rate, cardiac output, or stroke volume, apparently because of its combined α- and β-adrenergic blocking activity.","Pharmacodynamics":"Labetalol is an selective alpha-1 and non-selective beta adrenergic blocker used to treat high blood pressure. It works by blocking these adrenergic receptors, which slows sinus heart rate, decreases peripheral vascular resistance, and decreases cardiac output. Labetalol has two asymmetric centers and therefore, exists as a molecular complex of two diastereoisomeric pairs. Dilevalol, the R,R' stereoisomer, makes up 25% of racemic labetalol.","Absorption":"Completely absorbed (100%) from the gastrointestinal tract with peak plasma levels occurring 1 to 2 hours after oral administration. The absolute bioavailability of labetalol is increased when administered with food.","Interactions":[{"ID":"DB00414"},{"ID":"DB00672"},{"ID":"DB00501"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00228"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01159"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB06704"},{"ID":"DB00753"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB01366"},{"ID":"DB00912"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT000320","Name":"Labetalol Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00368","Drugs":["DB00598","DB01345","DB01373"]}]},{"ID":"DB00599","Name":"Thiopental","DrugType":"small molecule","HalfLife":"3-8 hours","Description":"A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration. It is also used for hypnosis and for the control of convulsive states. It has been used in neurosurgical patients to reduce increased intracranial pressure. It does not produce any excitation but has poor analgesic and muscle relaxant properties. Small doses have been shown to be anti-analgesic and lower the pain threshold. (From Martindale, The Extra Pharmacopoeia, 30th ed, p920)","Classification":{"Description":"This compound belongs to the thiobarbituric acid derivatives. These are organic compounds containing a 2-thioxodihydropyrimidine-4,6(1H,5H)-dione skeleton.","DirectParent":"Thiobarbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For use as the sole anesthetic agent for brief (15 minute) procedures, for induction of anesthesia prior to administration of other anesthetic agents, to supplement regional anesthesia, to provide hypnosis during balanced anesthesia with other agents for analgesia or muscle relaxation, for the control of convulsive states during or following inhalation anesthesia or local anesthesia, in neurosurgical patients with increased intracranial pressure, and for narcoanalysis and narcosynthesis in psychiatric disorders.","Toxicity":"Overdosage may occur from too rapid or repeated injections. Too rapid injection may be followed by an alarming fall in blood pressure even to shock levels. Apnea, occasional laryngospasm, coughing and other respiratory difficulties with excessive or too rapid injections may occur. Lethal blood levels may be as low as 1 mg/100 mL for short-acting barbiturates; less if other depressant drugs or alcohol are also present.","MechanismOfAction":"Thiopental binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Thiopental, a barbiturate, is used for the induction of anesthesia prior to the use of other general anesthetic agents and for induction of anesthesia for short surgical, diagnostic, or therapeutic procedures associated with minimal painful stimuli. Thiopental is an ultrashort-acting depressant of the central nervous system which induces hypnosis and anesthesia, but not analgesia. It produces hypnosis within 30 to 40 seconds of intravenous injection. Recovery after a small dose is rapid, with some somnolence and retrograde amnesia. Repeated intravenous doses lead to prolonged anesthesia because fatty tissues act as a reservoir; they accumulate Pentothal in concentrations 6 to 12 times greater than the plasma concentration, and then release the drug slowly to cause prolonged anesthesia","Absorption":"Rapidly absorbed.","Interactions":[{"ID":"DB01418"},{"ID":"DB00381"},{"ID":"DB00446"},{"ID":"DB00091"},{"ID":"DB00304"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB00254"},{"ID":"DB01395"},{"ID":"DB00977"},{"ID":"DB00823"},{"ID":"DB00294"},{"ID":"DB01023"},{"ID":"DB00270"},{"ID":"DB00555"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB00622"},{"ID":"DB01115"},{"ID":"DB00393"},{"ID":"DB00401"},{"ID":"DB01054"},{"ID":"DB00717"},{"ID":"DB00957"},{"ID":"DB01182"},{"ID":"DB00908"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00661"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00600","Name":"Monobenzone","DrugType":"small molecule","HalfLife":"","Description":"Monobenzone is the monobenzyl ether of hydroquinone used medically for depigmentation. Monobenzone occurs as a white, almost tasteless crystalline powder, soluble in alcohol and practically insoluble in water.\r\n\r\nThe topical application of monobenzone in animals increases the excretion of melanin from the melanocytes. The same action is thought to be responsible for the depigmenting effect of the drug in humans. Monobenzone may cause destruction of melanocytes and permanent depigmentation.","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"Used topically to treat the loss of skin color (vitiligo).","Toxicity":"","MechanismOfAction":"Monobenzone is a depigmenting agent whose mechanism of action is not fully understood. The topical application of monobenzone in animals, increases the excretion of melanin from the melanocytes. The same action is thought to be responsible for the depigmenting effect of the drug in humans. Monobenzone may cause destruction of melanocytes and permanent depigmentation. This effect is erratic and may take one to four months to occur while existing melanin is lost with normal sloughing of the stratum corneum. Hyperpigmented skin appears to fade more rapidly than does normal skin, and exposure to sunlight reduces the depigmenting effect of the drug. The histology of the skin after depigmentation with topical monobenzone is the same as that seen in vitiligo; the epidermis is normal except for the absence of identifiable melanocytes.","Pharmacodynamics":"Monobenzone is the monobenzyl ether of hydroquinone. Monobenzone, applied topically to the skin, is used as a depigmenting agent inhibitting melanin\u0026nbsp;produced by polymerization of oxidation products of tyrosine and dihydroxyphenyl compounds. Monobenzone works by permanently removing color from normal skin located around skin with vitiligo.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00601","Name":"Linezolid","DrugType":"small molecule","HalfLife":"4.5-5.5 hours","Description":"Linezolid is a synthetic antibiotic, the first of the oxazolidinone class, used for the treatment of infections caused by multi-resistant bacteria including streptococcus and methicillin-resistant Staphylococcus aureus (MRSA). The drug works by inhibiting the initiation of bacterial protein synthesis. ","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"For the treatment of bacterial infections caused by susceptible strains of vancomycin resistant \u003ci\u003eEnterococcus faecium\u003c/i\u003e, \u003ci\u003eStaphylococcal aureus\u003c/i\u003e (methicillin resistant and susceptible strains), \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e, \u003ci\u003eStreptococcus agalactiae\u003c/i\u003e.","Toxicity":"Clinical signs of acute toxicity lead to decreased activity, ataxia, vomiting and tremors.","MechanismOfAction":"Linezolid is a synthetic antibacterial agent of the oxazolidinone class of antibiotics. It has in vitro activity against aerobic Gram positive bacteria, certain Gram negative bacteria and anaerobic microorganisms. It selectively inhibits bacterial protein synthesis through binding to sites on the bacterial ribosome and prevents the formation of a functional 70S-initiation complex. Specifically, linezolid binds to a site on the bacterial 23S ribosomal RNA of the 50S subunit and prevents the formation of a functional 70S initiation complex, which is an essential component of the bacterial translation process. The results of time-kill studies have shown linezolid to be bacteriostatic against enterococci and staphylococci. For streptococci, linezolid was found to be bactericidal for the majority of strains. Linezolid is also a reversible, nonselective inhibitor of monoamine oxidase. Therefore, linezolid has the potential for interaction with adrenergic and serotonergic agents.","Pharmacodynamics":"Linezolid is a synthetic antibacterial agent of a new class of antibiotics, the oxazolidinones, which has clinical utility in the treatment of infections caused by aerobic Gram-positive bacteria. The in vitro spectrum of activity of linezolid also includes certain Gram-negative bacteria and anaerobic bacteria. Susceptible organisms include methicillin- and vancomycin-resistant staphylococci, vancomycin-resistant enterococci, penicillin-resistant pneumococci and anaerobes. Oxazolidinones inhibit protein synthesis by binding at the P site at the ribosomal 50S subunit. Resistance to other protein synthesis inhibitors does not affect oxazolidinone activity, however rare development of oxazolidinone resistance cases, associated with 23S rRNA alterations during treatment have been reported. Linezolid inhibits bacterial protein synthesis through a mechanism of action different from that of other antibacterial agents; therefore, cross-resistance between linezolid and other classes of antibiotics is unlikely.","Absorption":"Linezolid is rapidly and extensively absorbed after oral dosing. Maximum plasma concentrations are reached approximately 1 to 2 hours after dosing, and the absolute bioavailability is approximately 100%.","Interactions":[{"ID":"DB01393"},{"ID":"DB00484"},{"ID":"DB00921"},{"ID":"DB00215"},{"ID":"DB06700"},{"ID":"DB00841"},{"ID":"DB00988"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01175"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01064"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB01149"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB00715"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB01001"},{"ID":"DB01104"},{"ID":"DB00871"},{"ID":"DB04844"},{"ID":"DB00323"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00602","Name":"Ivermectin","DrugType":"small molecule","HalfLife":"16 hours (also reported at 22-28 hours)","Description":"Ivermectin is a broad-spectrum anti-parasite medication. It was first marketed under the name Stromectol® and used against worms (except tapeworms), but, in 2012, it was approved for the topical treatment of head lice infestations in patients 6 months of age and older, and marketed under the name Sklice™ as well. Ivermectin is mainly used in humans in the treatment of onchocerciasis, but is also effective against other worm infestations (such as strongyloidiasis, ascariasis, trichuriasis and enterobiasis).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of intestinal (i.e., nondisseminated) strongyloidiasis due to the nematode parasite \u003ci\u003eStrongyloides stercoralis\u003c/i\u003e. Also for the treatment of onchocerciasis (river blindness) due to the nematode parasite \u003ci\u003eOnchocerca volvulus\u003c/i\u003e. Can be used to treat scabies caused by \u003ci\u003eSarcoptes scabiei\u003c/i\u003e.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 29.5 mg/kg (Mouse, oral). LD\u003csub\u003e50\u003c/sub\u003e = 10 mg/kg (Rat, oral). Adverse effects include muscle or joint pain, dizziness, fever, headache, skin rash, fast heartbeat.","MechanismOfAction":"Ivermectin binds selectively and with high affinity to glutamate-gated chloride ion channels in invertebrate muscle and nerve cells of the microfilaria. This binding causes an increase in the permeability of the cell membrane to chloride ions and results in hyperpolarization of the cell, leading to paralysis and death of the parasite. Ivermectin also is believed to act as an agonist of the neurotransmitter gamma-aminobutyric acid (GABA), thereby disrupting GABA-mediated central nervous system (CNS) neurosynaptic transmission. Ivermectin may also impair normal intrauterine development of O. volvulus microfilariae and may inhibit their release from the uteri of gravid female worms.","Pharmacodynamics":"Ivermectin is a semisynthetic, anthelminitic agent. It is an avermectin which a group of pentacyclic sixteen-membered lactone (i.e. a macrocyclic lactone disaccharide) derived from the soil bacterium Streptomyces avermitilis. Avermectins are potent anti-parasitic agents. Ivermectin is the most common avermectin. It is a broad spectrum antiparasitic drug for oral administration. It is sometimes used to treat human onchocerciasis (river blindness). It is the mixture of 22,23-dihydro-avermectin B1a (at least 90%) and 22,23-dihydro-avermectin B1b (less than 10%).","Absorption":"Moderately well absorbed. Improved absorption with high fat meal.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00603","Name":"Medroxyprogesterone Acetate","DrugType":"small molecule","HalfLife":"50 days","Description":"Medroxyprogesterone acetate (INN, USAN, BAN), also known as 17α-hydroxy-6α-methylprogesterone acetate, and commonly abbreviated as MPA, is a steroidal progestin, a synthetic variant of the human hormone progesterone. It is used as a contraceptive, in hormone replacement therapy and for the treatment of endometriosis as well as several other indications.\r\nMPA is a more potent derivative of its parent compound medroxyprogesterone (MP). While medroxyprogesterone is sometimes used as a synonym for medroxyprogesterone acetate, what is normally being administered is MPA and not MP. [Wikipedia]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"Used as a contraceptive and to treat secondary amenorrhea, abnormal uterine bleeding, pain associated with endometriosis, endometrial and renal cell carcinomas, paraphilia in males, GnRH-dependent forms of precocious puberty, as well as to prevent endometrial changes associated with estrogens.","Toxicity":"Side effects include loss of bone mineral density, BMD changes in adult women, bleeding irregularities, cancer risks, and thromboembolic disorders.","MechanismOfAction":"Progestins diffuse freely into target cells in the female reproductive tract, mammary gland, hypothalamus, and the pituitary and bind to the progesterone receptor. Once bound to the receptor, progestins slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH surge.","Pharmacodynamics":"Medroxyprogesterone acetate is a synthetic progestin more potent than progesterone.","Absorption":"Rapidly absorbed from GI tract","Interactions":[{"ID":"DB01418"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB06697"},{"ID":"DB00307"},{"ID":"DB00559"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00930"},{"ID":"DB00266"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00418"},{"ID":"DB00306"},{"ID":"DB00599"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00604","Name":"Cisapride","DrugType":"small molecule","HalfLife":"6-12 hours","Description":"In many countries (including Canada) cisapride has been either withdrawn or has had its indications limited due to reports about long QT syndrome due to cisapride, which predisposes to arrhythmias. The FDA issued a warning letter regarding this risk to health care professionals and patients.","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the symptomatic treatment of adult patients with nocturnal heartburn due to gastroesophageal reflux disease.","Toxicity":"","MechanismOfAction":"Cisapride acts through the stimulation of the serotonin 5-HT\u003csub\u003e4\u003c/sub\u003e receptors which increases acetylcholine release in the enteric nervous system (specifically the myenteric plexus). This results in increased tone and amplitude of gastric (especially antral) contractions, relaxation of the pyloric sphincter and the duodenal bulb, and increased peristalsis of the duodenum and jejunum resulting in accelerated gastric emptying and intestinal transit.","Pharmacodynamics":"Cisapride is a parasympathomimetic which acts as a serotonin 5-HT\u003csub\u003e4\u003c/sub\u003e agonist. Stimulation of the serotonin receptors increases acetylcholine release in the enteric nervous system. Cisapride stimulates motility of the upper gastrointestinal tract without stimulating gastric, biliary, or pancreatic secretions. Cisapride increases the tone and amplitude of gastric (especially antral) contractions, relaxes the pyloric sphincter and the duodenal bulb, and increases peristalsis of the duodenum and jejunum resulting in accelerated gastric emptying and intestinal transit. It increases the resting tone of the lower esophageal sphincter. It has little, if any, effect on the motility of the colon or gallbladder. Cisapride does not induce muscarinic or nicotinic receptor stimulation, nor does it inhibit acetylcholinesterase activity.","Absorption":"Cisapride is rapidly absorbed after oral administration, with an absolute bioavailability of 35-40%.","Interactions":[{"ID":"DB01418"},{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00701"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB01244"},{"ID":"DB08873"},{"ID":"DB01158"},{"ID":"DB00477"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB08865"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB01142"},{"ID":"DB00625"},{"ID":"DB01228"},{"ID":"DB00199"},{"ID":"DB00392"},{"ID":"DB00950"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00623"},{"ID":"DB01319"},{"ID":"DB00308"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB01388"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB01115"},{"ID":"DB00540"},{"ID":"DB00850"},{"ID":"DB01263"},{"ID":"DB01035"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB01182"},{"ID":"DB00777"},{"ID":"DB00344"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00489"},{"ID":"DB00864"},{"ID":"DB05521"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB00342"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB00539"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00726"},{"ID":"DB01361"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00549"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT001018","Name":"Cisapride Monohydrate"}],"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB00605","Name":"Sulindac","DrugType":"small molecule","HalfLife":"The mean half-life of sulindac is 7.8 hours while the mean half-life of the sulfide metabolite is 16.4 hours.","Description":"Sulindac is a nonsteroidal anti-inflammatory agent (NSAIA) of the arylalkanoic acid class that is marketed in the U.S. by Merck as Clinoril. Like other NSAIAs, it may be used in the treatment of acute or chronic inflammatory conditions. Sulindac is a prodrug, derived from sulfinylindene, that is converted in vivo to an active sulfide compound by liver enzymes. The sulfide metabolite then undergoes enterohepatic circulation; it is excreted in the bile and then reabsorbed from the intestine. This is thought to help maintain constant blood levels with reduced gastrointestinal side effects. Some studies have shown sulindac to be relatively less irritating to the stomach than other NSAIA's except for drugs of the cyclooxygenase-2 (COX-2) inhibitor class. The exact mechanism of its NSAIA properties is unknown, but it is thought to act on enzymes COX-1 and COX-2, inhibiting prostaglandin synthesis.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For acute or long-term use in the relief of signs and symptoms of osteoarthritis, rheumatoid arthritis, ankylosing spondylitis, acute painful shoulder (acute subacromial bursitis/supraspinatus tendinitis), and acute gouty arthritis.","Toxicity":"Acute oral toxicity (LD\u003csub\u003e50\u003c/sub\u003e) in rats is 264 mg/kg. Cases of overdose have been reported and rarely, deaths have occurred. The following signs and symptoms may be observed following overdose: stupor, coma, diminished urine output and hypotension.","MechanismOfAction":"Sulindac's exact mechanism of action is unknown. Its antiinflammatory effects are believed to be due to inhibition of both COX-1 and COX-2 which leads to the inhibition of prostaglandin synthesis. Antipyretic effects may be due to action on the hypothalamus, resulting in an increased peripheral blood flow, vasodilation, and subsequent heat dissipation.","Pharmacodynamics":"Sulindac is a non-steroidal anti-inflammatory indene derivative, also possessing analgesic and antipyretic activities.","Absorption":"Approximately 90% absorbed in humans following oral administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB00233"},{"ID":"DB08822"},{"ID":"DB00887"},{"ID":"DB01432"},{"ID":"DB00930"},{"ID":"DB00375"},{"ID":"DB00091"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB01381"},{"ID":"DB01404"},{"ID":"DB00465"},{"ID":"DB00563"},{"ID":"DB00642"},{"ID":"DB06813"},{"ID":"DB00118"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00094","Drugs":["DB00142","DB00143","DB00605","DB01373","DB01593","DB04557"]}]},{"ID":"DB00606","Name":"Cyclothiazide","DrugType":"small molecule","HalfLife":"","Description":"As a diuretic, cyclothiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like cyclothiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of cyclothiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle. Cyclothiazide is indicated as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. It is also indicated in the management of hypertension either as the sole therapeutic agent or to enhance the effectiveness of other antihypertensive drugs in the more severe forms of hypertension.","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"Cyclothiazide is indicated as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. It is also indicated in the management of hypertension either as the sole therapeutic agent or to enhance the effectiveness of other antihypertensive drugs in the more severe forms of hypertension.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in mouse is \u003e 10000 mg/kg, and \u003e 4000 mg/kg in rat. Signs of overdose include those caused by electrolyte depletion (hypokalemia, hypochloremia, hyponatremia) and dehydration resulting from excessive diuresis. If digitalis has also been administered hypokalemia may accentuate cardiac arrhythmias.","MechanismOfAction":"Hydrochlorothiazide, a thiazide diuretic, inhibits water reabsorption in the nephron by inhibiting the sodium-chloride symporter (SLC12A3) in the distal convoluted tubule, which is responsible for 5% of total sodium reabsorption. Normally, the sodium-chloride symporter transports sodium and chloride from the lumen into the epithelial cell lining the distal convoluted tubule. The energy for this is provided by a sodium gradient established by sodium-potassium ATPases on the basolateral membrane. Once sodium has entered the cell, it is transported out into the basolateral interstitium via the sodium-potassium ATPase, causing an increase in the osmolarity of the interstitium, thereby establishing an osmotic gradient for water reabsorption. By blocking the sodium-chloride symporter, hydrochlorothiazide effectively reduces the osmotic gradient and water reabsorption throughout the nephron.Hydrochlorothiazide, a thiazide diuretic, inhibits water reabsorption in the nephron by inhibiting the sodium-chloride symporter (SLC12A3) in the distal convoluted tubule, which is responsible for 5% of total sodium reabsorption. Normally, the sodium-chloride symporter transports sodium and chloride from the lumen into the epithelial cell lining the distal convoluted tubule. The energy for this is provided by a sodium gradient established by sodium-potassium ATPases on the basolateral membrane. Once sodium has entered the cell, it is transported out into the basolateral interstitium via the sodium-potassium ATPase, causing an increase in the osmolarity of the interstitium, thereby establishing an osmotic gradient for water reabsorption. By blocking the sodium-chloride symporter, hydrochlorothiazide effectively reduces the osmotic gradient and water reabsorption throughout the nephron.","Pharmacodynamics":"Like other thiazides, cyclothiazide promotes water loss from the body (diuretics). It inhibits Na\u003csup\u003e+\u003c/sup\u003e/Cl\u003csup\u003e-\u003c/sup\u003e reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue. Cyclothiazide affects the distal renal tubular mechanism of electrolyte reabsorption. At maximal therapeutic dosages, all thiazides are approximately equal in their diuretic efficacy. Cyclothiazide increases excretion of sodium and chloride in approximately equivalent amounts. Natriuresis may be accompanied by some loss of potassium and bicarbonate.","Absorption":"","Interactions":[{"ID":"DB00390"},{"ID":"DB01356"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00103","Drugs":["DB00151","DB00606","DB01345","DB03904"]}]},{"ID":"DB00607","Name":"Nafcillin","DrugType":"small molecule","HalfLife":"The serum half-life of nafcillin administered by the intravenous route ranged from 33 to 61 minutes as measured in three separate studies.","Description":"A semi-synthetic antibiotic related to penicillin. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of infections caused by penicillinase-producing staphylococci which have demonstrated susceptibility to the drugs.","Toxicity":"Serious toxicity is unlikely following large doses of nafcillin. Acute ingestion of large doses of nafcillin may cause nausea, vomiting, diarrhea and abdominal pain. Acute oliguric renal failure and hematuria may occur following large doses.","MechanismOfAction":"Penicillinase-resistant penicillins exert a bactericidal action against penicillin-susceptible microorganisms during the state of active multiplication. All penicillins inhibit the biosynthesis of the bacterial cell wall.","Pharmacodynamics":"Nafcillin is a semisynthetic antibiotic substance derived from 6-amino-penicillanic acid. The drugs in this class are highly resistant to inactivation by staphylococcal penicillinase and are active against penicillinase-producing and non penicillinase-producing strains of Staphylococcus aureus. The penicillinase- resistant penicillins are active in vitro against a variety of other bacteria.","Absorption":"","Interactions":[{"ID":"DB00091"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB08866"},{"ID":"DB00977"},{"ID":"DB08815"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB01656"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00759"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB05294"},{"ID":"DB00661"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000497","Name":"Nafcillin Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00608","Name":"Chloroquine","DrugType":"small molecule","HalfLife":"1-2 months","Description":"The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses. [PubChem]","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"For the suppressive treatment and for acute attacks of malaria due to P. vivax, P.malariae, P. ovale, and susceptible strains of P. falciparum, Second-line agent in treatment of Rheumatoid Arthritis","Toxicity":"","MechanismOfAction":"The mechanism of plasmodicidal action of chloroquine is not completely certain. Like other quinoline derivatives, it is thought to inhibit heme polymerase activity. This results in accumulation of free heme, which is toxic to the parasites. nside red blood cells, the malarial parasite must degrade hemoglobin to acquire essential amino acids, which the parasite requires to construct its own protein and for energy metabolism. Digestion is carried out in a vacuole of the parasite cell.\r\n\r\nDuring this process, the parasite produces the toxic and soluble molecule heme. The heme moiety consists of a porphyrin ring called Fe(II)-protoporphyrin IX (FP). To avoid destruction by this molecule, the parasite biocrystallizes heme to form hemozoin, a non-toxic molecule. Hemozoin collects in the digestive vacuole as insoluble crystals.\r\n\r\nChloroquine enters the red blood cell, inhabiting parasite cell, and digestive vacuole by simple diffusion. Chloroquine then becomes protonated (to CQ2+), as the digestive vacuole is known to be acidic (pH 4.7); chloroquine then cannot leave by diffusion. Chloroquine caps hemozoin molecules to prevent further biocrystallization of heme, thus leading to heme buildup. Chloroquine binds to heme (or FP) to form what is known as the FP-Chloroquine complex; this complex is highly toxic to the cell and disrupts membrane function. Action of the toxic FP-Chloroquine and FP results in cell lysis and ultimately parasite cell autodigestion. In essence, the parasite cell drowns in its own metabolic products.","Pharmacodynamics":"Chloroquine is the prototype anti malarial drug, most widely used to treat all types of malaria except for disease caused by chloroquine resistant \u003ci\u003ePlasmodium falciparum\u003c/i\u003e. It is highly effective against erythrocytic forms of \u003ci\u003ePlasmodium vivax\u003c/i\u003e, \u003ci\u003ePlasmodium ovale\u003c/i\u003e and \u003ci\u003ePlasmodium malariae\u003c/i\u003e, sensitive strains of \u003ci\u003ePlasmodium falciparum\u003c/i\u003e and gametocytes of \u003ci\u003ePlasmodium vivax\u003c/i\u003e. Being alkaline, the drug reaches high concentration within the food vacuoles of the parasite and raises its pH. It is found to induce rapid clumping of the pigment. Chloroquine inhibits the parasitic enzyme heme polymerase that converts the toxic heme into non-toxic hemazoin, thereby resulting in the accumulation of toxic heme within the parasite. It may also interfere with the biosynthesis of nucleic acids.","Absorption":"Completely absorbed from gastrointestinal tract","Interactions":[{"ID":"DB01370"},{"ID":"DB06697"},{"ID":"DB00289"},{"ID":"DB01574"},{"ID":"DB01373"},{"ID":"DB00091"},{"ID":"DB01375"},{"ID":"DB01575"},{"ID":"DB06708"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00933"},{"ID":"DB01058"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00679"},{"ID":"DB00193"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000025","Name":"Chloroquine Phosphate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00609","Name":"Ethionamide","DrugType":"small molecule","HalfLife":"2 to 3 hours","Description":"A second-line antitubercular agent that inhibits mycolic acid synthesis. It also may be used for treatment of leprosy. (From Smith and Reynard, Textbook of Pharmacology, 1992, p868)","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"For use in the treatment of pulmonary and extrapulmonary tuberculosis when other antitubercular drugs have failed.","Toxicity":"Symptoms of overdose include convulsions, nausea, and vomiting.","MechanismOfAction":"Ethionamide may be bacteriostatic or bactericidal in action, depending on the concentration of the drug attained at the site of infection and the susceptibility of the infecting organism. Ethionamide, like prothionamide and pyrazinamide, is a nicotinic acid derivative related to isoniazid. It is thought that ethionamide undergoes intracellular modification and acts in a similar fashion to isoniazid. Isoniazid inhibits the synthesis of mycoloic acids, an essential component of the bacterial cell wall. Specifically isoniazid inhibits InhA, the enoyl reductase from \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e, by forming a covalent adduct with the NAD cofactor. It is the INH-NAD adduct that acts as a slow, tight-binding competitive inhibitor of InhA.","Pharmacodynamics":"Ethinamate is bacteriostatic against \u003ci\u003eM. tuberculosis\u003c/i\u003e. In a study examining ethionamide resistance, ethionamide administered orally initially decreased the number of culturable \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e organisms from the lungs of H37Rv infected mice. Drug resistance developed with continued ethionamide monotherapy, but did not occur when mice received ethionamide in combination with streptomycin or isoniazid.","Absorption":"Essentially completely absorbed following oral administration and not subjected to any appreciable first pass metabolism. Bioavailability approximately 100%.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00610","Name":"Metaraminol","DrugType":"small molecule","HalfLife":"","Description":"An adrenergic agonist that acts predominantly at alpha adrenergic receptors and also stimulates the release of norepinephrine. It has been used primarily as a vasoconstrictor in the treatment of hypotension. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment and prevention of hypotension due to hemorrhage, spinal anesthesia, and shock associated with brain damage","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=240 mg/kg (rat, oral); LD\u003csub\u003e50\u003c/sub\u003e=99 mg/kg (mouse, oral)","MechanismOfAction":"Metaraminol acts through peripheral vasoconstriction by acting as a pure alpha-1 adrenergic receptor agonist, consequently increasing systemic blood pressure (both systolic \u0026amp; diastolic). Its effect is thought to be associated with the inhibition of adenyl cyclase which leads to an inhibition of the production of cAMP. Another effect of Metaraminol is that it releases norepinephrine from its storage sites indirectly.","Pharmacodynamics":"Metaraminol is a potent sympathomimetic amine that increases both systolic and diastolic blood pressure. Metaraminol is indicated for prevention and treatment of the acute hypotensive state occurring with spinal anesthesia. It is also indicated as adjunctive treatment of hypotension due to hemorrhage, reactions to medications, surgical complications, and shock associated with brain damage due to trauma or tumor. Metaraminol acts on both \u0026alpha;1-adrenergic receptors but appears to have no effect on \u0026beta;-adrenergic receptors. It acts by increasing the force of the heart's pumping action as well as constricting peripheral blood vessels.","Absorption":"The effect starts 1-2 min after IV injection, 10 min after IM injection, 5-20 min after subcutaneous injection.","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00206"}],"Salts":[{"ID":"DBSALT001017","Name":"Metaraminol Bitartrate"},{"ID":"DBSALT001016","Name":"Metaraminol Tartrate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00611","Name":"Butorphanol","DrugType":"small molecule","HalfLife":"The elimination half-life of butorphanol is about 18 hours. In renally impaired patients with creatinine clearances \u0026lt;30 mL/min the elimination half-life is approximately doubled. After intravenous administration to patients with hepatic impairment, the elimination half-life of butorphanol was approximately tripled.","Description":"A synthetic morphinan analgesic with narcotic antagonist action. It is used in the management of severe pain. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the relief of moderate to severe pain.","Toxicity":"The clinical manifestations of butorphanol overdose are those of opioid drugs in general. The most serious symptoms are hypoventilation, cardiovascular insufficiency, coma, and death.","MechanismOfAction":"The exact mechanism of action is unknown, but is believed to interact with an opiate receptor site in the CNS (probably in or associated with the limbic system). The opiate antagonistic effect may result from competitive inhibition at the opiate receptor, but may also be a result of other mechanisms. Butorphanol is a mixed agonist-antagonist that exerts antagonistic or partially antagonistic effects at mu opiate receptor sites, but is thought to exert its agonistic effects principally at the kappa and sigma opiate receptors.","Pharmacodynamics":"Butorphanol is a synthetic opioid agonist-antagonist analgesic with a pharmacological and therapeutic profile that has been well established since its launch as a parenteral formulation in 1978. The introduction of a transnasal formulation of butorphanol represents a new and noninvasive presentation of an analgesic for moderate to severe pain. This route of administration bypasses the gastrointestinal tract, and this is an advantage for a drug such as butorphanol that undergoes significant first-pass metabolism after oral administration. The onset of action and systemic bioavailability of butorphanol following transnasal delivery are similar to those after parenteral administration. Butorphanol blocks pain impulses at specific sites in the brain and spinal cord.","Absorption":"Rapidly absorbed after intramuscular injection and peak plasma levels are reached in 20-40 minutes. The absolute bioavailability is 60-70% and is unchanged in patients with allergic rhinitis. In patients using a nasal vasoconstrictor (oxymetazoline) the fraction of the dose absorbed was unchanged, but the rate of absorption was slowed. Oral bioavailability is only 5-17% because of extensive first-pass metabolism.","Interactions":[{"ID":"DB06274"},{"ID":"DB00450"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000276","Name":"Butorphanol Tartrate"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00612","Name":"Bisoprolol","DrugType":"small molecule","HalfLife":"9-12 hours; prolonged in the elderly and those with decreased renal function","Description":"Bisoprolol is a cardioselective \u0026beta;1-adrenergic blocking agent used for secondary prevention of myocardial infarction (MI), heart failure, angina pectoris and mild to moderate hypertension. Bisoprolol is structurally similar to metoprolol, acebutolol and atenolol in that it has two substituents in the \u003ci\u003epara\u003c/i\u003e position of the benzene ring. The \u0026beta;1-selectivity of these agents is thought to be due in part to the large substituents in the \u003ci\u003epara\u003c/i\u003e position. At lower doses (less than 20 mg daily), bisoprolol selectively blocks cardiac \u0026beta;1-adrenergic receptors with little activity against \u0026beta;2-adrenergic receptors of the lungs and vascular smooth muscle. Receptor selectivity decreases with daily doses of 20 mg or greater. Unlike propranolol and pindolol, bisoprolol does not exhibit membrane-stabilizing or sympathomimetic activity. Bisoprolol possesses a single chiral centre and is administered as a racemic mixture. Only \u003ci\u003el\u003c/i\u003e-bisoprolol exhibits significant \u0026beta;-blocking activity.","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"For management of heart failure, angina pectoris, and mild to moderate hypertension and for secondary prevention of myocardial infarction (MI). ","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 100 mg/kg; Skin, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = 200 mg/kg;\u0026nbsp;Skin, rat: LD\u003csub\u003e50\u003c/sub\u003e = 500 mg/kg. Symptoms of overdose include congestive heart failure (marked by sudden weight gain, swelling of the legs, feet, and ankles, fatigue, and shortness of breath), difficult or labored breathing, low blood pressure, low blood sugar, and slow heartbeat.","MechanismOfAction":"Bisoprolol selectively blocks catecholamine stimulation of \u0026beta;1-adrenergic receptors in the heart and vascular smooth muscle. This results in a reduction of heart rate, cardiac output, systolic and diastolic blood pressure, and possibly reflex orthostatic hypotension. At higher doses (e.g. 20 mg and greater) bisoprolol may competitively block \u0026beta;2-adrenergic receptors in bronchial and vascular smooth muscle causing bronchospasm and vasodilation. ","Pharmacodynamics":"Bisoprolol is a competitive, cardioselective \u0026beta;1-adrenergic antagonist. Activation of \u0026beta;1-receptors (located mainly in the heart) by epinephrine increases heart rate and the blood pressure causing the heart to consume more oxygen. \u0026beta;1-adrenergic blocking agents such as bisopolol lower the heart rate and blood pressure and may be used to reduce workload on the heart and hence oxygen demands. They are routinely prescribed in patients with ischemic heart disease. In addition, \u0026beta;1-selective blockers prevent the release of renin, a hormone produced by the kidneys causes constriction of blood vessels. Bisoprolol is lipophilic and exhibits no intrinsic sympathomimetic activity (ISA) or membrane-stabilizing activity.","Absorption":"Well absorbed. Bioavailability \u003e 80%. Absorption is not affected by food. Peak plasma concentrations occur within 2-4 hours. ","Interactions":[{"ID":"DB00414"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01050"},{"ID":"DB05039"},{"ID":"DB00328"},{"ID":"DB01306"},{"ID":"DB01307"},{"ID":"DB00047"},{"ID":"DB01309"},{"ID":"DB00046"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB01366"},{"ID":"DB00912"},{"ID":"DB01045"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB00976"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00374"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT001015","Name":"Bisoprolol Fumarate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00300","Drugs":["DB00612","DB01345","DB01373"]}]},{"ID":"DB00613","Name":"Amodiaquine","DrugType":"small molecule","HalfLife":"5.2 \u0026plusmn; 1.7 (range 0.4 to 5.5) minutes","Description":"A 4-aminoquinoquinoline compound with anti-inflammatory properties. [PubChem]","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"For treatment of acute malarial attacks in non-immune subjects.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e (mouse, intraperitoneal) 225 mg/kg, LD\u003csub\u003e50\u003c/sub\u003e (mouse, oral) 550 mg/kg. Symptoms of overdose include headache, drowsiness, visual disturbances, vomiting, hypokalaemia, cardiovascular collapse and cardiac and respiratory arrest. Hypotension, if not treated, may progress rapidly to shock. Electrocardiograms (ECG) may reveal atrial standstill, nodal rhythm, prolonged intraventricular conduction time, broadening of the QRS complex, and progressive bradycardia leading to ventricular fibrillation and/or arrest.","MechanismOfAction":"The mechanism of plasmodicidal action of amodiaquine is not completely certain. Like other quinoline derivatives, it is thought to inhibit heme polymerase activity. This results in accumulation of free heme, which is toxic to the parasites. The drug binds the free heme preventing the parasite from converting it to a form less toxic. This drug-heme complex is toxic and disrupts membrane function.","Pharmacodynamics":"Amodiaquine, a 4-aminoquinoline similar to chloroquine in structure and activity, has been used as both an antimalarial and an anti-inflammatory agent for more than 40 years. Amodiaquine is at least as effective as chloroquine, and is effective against some chloroquine-resistant strains, although resistance to amodiaquine has been reported. The mode of action of amodiaquine has not yet been determined. 4-Aminoquinolines depress cardiac muscle, impair cardiac conductivity, and produce vasodilatation with resultant hypotension. They depress respiration and cause diplopia, dizziness and nausea.","Absorption":"Rapidly absorbed following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000647","Name":"Amodiaquine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00614","Name":"Furazolidone","DrugType":"small molecule","HalfLife":"10 minutes","Description":"A nitrofuran derivative with antiprotozoal and antibacterial activity. Furazolidone binds bacterial DNA which leads to the gradual inhibition of monoamine oxidase. (From Martindale, The Extra Pharmacopoeia, 30th ed, p514)","Classification":{"Description":"This compound belongs to the nitrofurans. These are compounds containing a furan ring which bears a nitro group.","DirectParent":"Nitrofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Nitrofurans"},"Indication":"For the specific and symptomatic treatment of bacterial or protozoal diarrhea and enteritis caused by susceptible organisms.","Toxicity":"Reactions to Furoxone have been reported including a fall in blood pressure, urticaria, fever, arthralgia, and a vesicular morbilliform rash. Other adverse effects can include a brown discoloration of the urine; hemolysis can occur in G6PDH-deficient patients. The drug has a monoamine oxidase (MAO) inhibitory effect and should never be given concurrently to individuals already taking MAO inhibitors.","MechanismOfAction":"Furazolidone and its related free radical products are believed to bind DNA and induce cross-links. Bacterial DNA is particularly susceptible to this drug leading to high levels of mutations (transitions and transversions) in the bacterial chromosome.","Pharmacodynamics":"Furoxone has a broad antibacterial spectrum covering the majority of gastrointestinal tract pathogens including E. coli, staphylococci, Salmonella, Shigella, Proteus, Aerobacter aerogenes, Vibrio cholerae and Giardia lamblia. Its bactericidal activity is based upon its interference with DNA replication and protein production; this antimicrobial action minimizes the development of resistant organisms.","Absorption":"Radiolabeled drug studies indicate that furazolidone is well absorbed following oral administration","Interactions":[{"ID":"DB04896"},{"ID":"DB04844"},{"ID":"DB00323"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00615","Name":"Rifabutin","DrugType":"small molecule","HalfLife":"45 (\u0026plusmn; 17) hours","Description":"A broad-spectrum antibiotic that is being used as prophylaxis against disseminated Mycobacterium avium complex infection in HIV-positive patients. [PubChem]","Classification":{"Description":"This compound belongs to the naphthofurans. These are compounds containing a furan ring fused to a naphthalene moeity.","DirectParent":"Naphthofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthofurans","SubClass":""},"Indication":"For the prevention of disseminated \u003ci\u003eMycobacterium avium\u003c/i\u003e complex (MAC) disease in patients with advanced HIV infection.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 4.8 g/kg (mouse, male)","MechanismOfAction":"Rifabutin acts via the inhibition of DNA-dependent RNA polymerase in gram-positive and some gram-negative bacteria, leading to a suppression of RNA synthesis and cell death.","Pharmacodynamics":"Rifabutin is an antibiotic that inhibits DNA-dependent RNA polymerase activity in susceptible cells. Specifically, it interacts with bacterial RNA polymerase but does not inhibit the mammalian enzyme. It is bactericidal and has a very broad spectrum of activity against most gram-positive and gram-negative organisms (including \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e) and specifically \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e. Because of rapid emergence of resistant bacteria, use is restricted to treatment of mycobacterial infections and a few other indications. Rifabutin is well absorbed when taken orally and is distributed widely in body tissues and fluids, including the CSF. It is metabolized in the liver and eliminated in bile and, to a much lesser extent, in urine, but dose adjustments are unnecessary with renal insufficiency.","Absorption":"Rifabutin is readily absorbed from the gastrointestinal tract, with an absolute bioavailability averaging 20%.","Interactions":[{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00701"},{"ID":"DB01125"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB01117"},{"ID":"DB01558"},{"ID":"DB01156"},{"ID":"DB00490"},{"ID":"DB06772"},{"ID":"DB00439"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB00091"},{"ID":"DB00250"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00266"},{"ID":"DB01142"},{"ID":"DB00254"},{"ID":"DB00530"},{"ID":"DB00199"},{"ID":"DB08866"},{"ID":"DB00977"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB01095"},{"ID":"DB01319"},{"ID":"DB00502"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB08820"},{"ID":"DB01321"},{"ID":"DB00227"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB00717"},{"ID":"DB00540"},{"ID":"DB06589"},{"ID":"DB01263"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB08864"},{"ID":"DB00503"},{"ID":"DB01656"},{"ID":"DB01232"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00857"},{"ID":"DB00932"},{"ID":"DB06212"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB05294"},{"ID":"DB08881"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00495"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00616","Name":"Candoxatril","DrugType":"small molecule","HalfLife":"","Description":"Candoxatril is the orally-active prodrug of candoxatrilat (UK-73967), the active enantiomer of candoxatrilat (UK-69578), a potent neutral endopeptidase (NEP) inhibitor used in the treatment of chronic heart failure.","Classification":{"Description":"This compound belongs to the phenol esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.","DirectParent":"Phenol Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Esters"},"Indication":"For treatment of hypertension, improve exercise capacity in patients with CHF receiving angiotensin converting enzyme inhibition.","Toxicity":"","MechanismOfAction":"Neutral endopeptidase inhibitors such as Candoxatril have a dual mechanism of action. They inhibit two metalloprotease enzymes, neutral endopeptidase and ACE, resulting in an increased availability of natriuretic peptides that exhibit vasodilatory effects and, possibly, tissue protective effects.","Pharmacodynamics":"Candoxatril is the orally-active prodrug of candoxatrilat (UK-73967), the active enantiomer of candoxatrilat (UK-69578), a potent neutral endopeptidase (NEP) inhibitor used in the treatment of chronic heart failure in man.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00617","Name":"Paramethadione","DrugType":"small molecule","HalfLife":"12 to 24 hours (however the half-life for the active metabolite is not known)","Description":"Paramethadione is an anticonvulsant in the oxazolidinedione class. It is associated with fetal trimethadione syndrome, which is also known as paramethadione syndrome.","Classification":{"Description":"This compound belongs to the oxazolidinediones. These are compound containing an oxazolidine ring which bears two ketones.","DirectParent":"Oxazolidinediones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Oxazolidines"},"Indication":"Used for the control of absence (petit mal) seizures that are refractory to treatment with other medications.","Toxicity":"Symptoms of overdose include clumsiness or unsteadiness, coma, severe dizziness, severe drowsiness, severe nausea, and problems with vision.","MechanismOfAction":"Dione anticonvulsants such as paramethadione reduce T-type calcium currents in thalamic neurons (including thalamic relay neurons). This inhibits corticothalamic transmission and raises the threshold for repetitive activity in the thalamus. This results in a dampening of the abnormal thalamocortical rhythmicity proposed to underlie the 3-Hz spike-and-wave discharge seen on electroencephalogram (EEG) during absence seizures.","Pharmacodynamics":"Paramethadione is an oxazolidinedione anticonvulsant similar to trimethadione that acts on the central nervous system (CNS) to reduce the number of absence seizures (often seen in epileptics). Absence seizures involve an interruption to consciousness where the person experiencing the seizure seems to become vacant and unresponsive for a short period of time (usually up to 30 seconds). Paramethadione acts on thalamic neurons in the thalamic reticular nucleus (which studies have shown to be associated with absence seizures, von Krosigk et al., 1993).","Absorption":"Rapid via the digestive tract.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00618","Name":"Demeclocycline","DrugType":"small molecule","HalfLife":"10-17 hours","Description":"A tetracycline analog having a 7-chloro and a 6-methyl. Because it is excreted more slowly than tetracycline, it maintains effective blood levels for longer periods of time. [PubChem]","Classification":{"Description":"This compound belongs to the naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.","DirectParent":"Naphthacenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"Used primarily to treat Lyme disease, acne, and bronchitis. Also indicated (but rarely used) to treat urinary tract infections, gum disease, malaria, and other bacterial infections such as gonorrhea and chlamydia. One of its other registered uses is the treatment of hyponatremia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective. ","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 2372 mg/kg","MechanismOfAction":"Demeclocycline inhibits cell growth by inhibiting translation. It binds (reversibly) to the 30S and 50S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome, which impairs protein synthesis by bacteria. The binding is reversible in nature. The use in SIADH actually relies on a side-effect of tetracycline antibiotics; many may cause diabetes insipidus (dehydration due to the inability to concentrate urine). It is not completely understood why demeclocycline impairs the action of antidiuretic hormone, but it is thought that it blocks the binding of the hormone to its receptor.","Pharmacodynamics":"Demeclocycline is a tetracycline antibiotic active against the following microorganisms: \u003ci\u003eRickettsiae\u003c/i\u003e (Rocky Mountain spotted fever, typhus fever and the typhus group, Q fever, rickettsial pox, tick fevers), \u003ci\u003eMycoplasma pneumoniae\u003c/i\u003e (PPLO, Eaton agent), agents of psittacosis and ornithosis, agents of lymphogranulomavenereum and granuloma inguinale, the spirochetal agent of relapsing fever (\u003ci\u003eBorrelia recurrentis\u003c/i\u003e), \u003ci\u003eHaemophilus ducreyi\u003c/i\u003e (chancroid), \u003ci\u003eYersinia pestis\u003c/i\u003e, \u003ci\u003ePasteurella pestis\u003c/i\u003e and \u003ci\u003ePasteurella tularensis\u003c/i\u003e, \u003ci\u003eBartonella bacilliformis\u003c/i\u003e, \u003ci\u003eBacteroides species\u003c/i\u003e, \u003ci\u003eVibrio comma\u003c/i\u003e and \u003ci\u003eVibrio fetus\u003c/i\u003e, and \u003ci\u003eBrucella species\u003c/i\u003e (in conjunction with streptomycin). Demeclocycline inhibits cell growth by inhibiting translation. Demeclocycline is lipophilic and can easily pass through the cell membrane or passively diffuses through porin channels in the bacterial membrane. Demeclocycline is bacteriostatic (it impairs bacterial growth but does not kill bacteria directly). Because it is excreted more slowly than tetracycline, it maintains effective blood levels for longer periods of time.","Absorption":"Tetracyclines are readily absorbed.","Interactions":[{"ID":"DB01418"},{"ID":"DB00459"},{"ID":"DB01370"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB01125"},{"ID":"DB01574"},{"ID":"DB01061"},{"ID":"DB00355"},{"ID":"DB01602"},{"ID":"DB01053"},{"ID":"DB00307"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB00578"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00930"},{"ID":"DB01000"},{"ID":"DB00485"},{"ID":"DB00266"},{"ID":"DB00977"},{"ID":"DB00926"},{"ID":"DB00301"},{"ID":"DB00739"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB00982"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB01357"},{"ID":"DB01028"},{"ID":"DB01603"},{"ID":"DB00948"},{"ID":"DB00607"},{"ID":"DB00713"},{"ID":"DB00417"},{"ID":"DB00319"},{"ID":"DB01604"},{"ID":"DB01605"},{"ID":"DB01606"},{"ID":"DB01607"},{"ID":"DB00755"},{"ID":"DB00682"},{"ID":"DB01593"}],"Salts":[{"ID":"DBSALT000040","Name":"Demeclocycline hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00290","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00618","DB01972","DB02431","DB03685"]}]},{"ID":"DB00619","Name":"Imatinib","DrugType":"small molecule","HalfLife":"Following oral administration in healthy volunteers, the elimination half-lives of imatinib and its major active metabolite, the N-demethyl derivative (CGP74588) are approximately 18 and 40 hours, respectively. ","Description":"Imatinib is a small molecule kinase inhibitor used to treat certain types of cancer. It is currently marketed by Novartis as Gleevec (USA) or Glivec (Europe/Australia) as its mesylate salt, imatinib mesilate (INN). It is occasionally referred to as CGP57148B or STI571 (especially in older publications). It is used in treating chronic myelogenous leukemia (CML), gastrointestinal stromal tumors (GISTs) and a number of other malignancies.\r\n\r\nIt is the first member of a new class of agents that act by inhibiting particular tyrosine kinase enzymes, instead of non-specifically inhibiting rapidly dividing cells.","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"For the treatment of Philadelphia chromosome positive chronic myeloid leukemia (Ph+ CML), Ph+ acute lymphoblastic leukaemia, myelodysplastic/myeloproliferative diseases, aggressive systemic mastocytosis, hypereosinophilic syndrome and/or chronic eosinophilic leukemia (CEL), dermatofibrosarcoma protuberans, and malignant gastrointestinal stromal tumors (GIST).","Toxicity":"The most frequently reported adverse reactions (\u003e30%) were edema, nausea,\r\nvomiting, muscle cramps, musculoskeletal pain, diarrhea, rash, fatigue and\r\nabdominal pain. ","MechanismOfAction":"Imatinib mesylate is a protein-tyrosine kinase inhibitor that inhibits the Bcr-Abl tyrosine kinase, the constitutive abnormal tyrosine kinase created by the Philadelphia chromosome abnormality in chronic myeloid leukemia (CML). It inhibits proliferation and induces apoptosis in Bcr-Abl positive cell lines as well as fresh leukemic cells from Philadelphia chromosome positive chronic myeloid leukemia. Imatinib also inhibits the receptor tyrosine kinases for platelet derived growth factor (PDGF) and stem cell factor (SCF) - called c-kit. Imatinib was identified in the late 1990s by Dr Brian J. Druker. Its development is an excellent example of rational drug design. Soon after identification of the bcr-abl target, the search for an inhibitor began. Chemists used a high-throughput screen of chemical libraries to identify the molecule 2-phenylaminopyrimidine. This lead compound was then tested and modified by the introduction of methyl and benzamide groups to give it enhanced binding properties, resulting in imatinib.","Pharmacodynamics":"Imatinib is an antineoplastic agent used to treat chronic myelogenous leukemia. Imatinib is a 2-phenylaminopyrimidine derivative that functions as a specific inhibitor of a number of tyrosine kinase enzymes. In chronic myelogenous leukemia, the Philadelphia chromosome leads to a fusion protein of Abl with Bcr (breakpoint cluster region), termed Bcr-Abl. As this is now a continuously active tyrosine kinase, Imatinib is used to decrease Bcr-Abl activity.","Absorption":"The pharmacokinetics in CML and GIST patients are similar. Imatinib is well absorbed with mean absolute bioavailability is 98% and maximum plasma levels achieved within 2-4 hours of dosing","Interactions":[{"ID":"DB01418"},{"ID":"DB00316"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB01076"},{"ID":"DB01558"},{"ID":"DB00564"},{"ID":"DB00439"},{"ID":"DB01211"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB01234"},{"ID":"DB00266"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB06414"},{"ID":"DB01320"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB00532"},{"ID":"DB01115"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB01045"},{"ID":"DB00641"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00906"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00193"},{"ID":"DB00072"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":[{"ID":"DBSALT000098","Name":"Imatinib Mesylate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00620","Name":"Triamcinolone","DrugType":"small molecule","HalfLife":"88 minutes","Description":"A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739)","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the treatment of perennial and seasonal allergic rhinitis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=\u003e500mg/kg (in rats)","MechanismOfAction":"The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition of arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Firstly, however, these glucocorticoids bind to the glucocorticoid receptors which translocate into the nucleus and bind DNA (GRE) and change genetic expression both positively and negatively. The immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding.","Pharmacodynamics":"Triamcinolone and its derivatives are synthetic glucocorticoids that are used for their antiinflammatory or immunosuppressive properties.","Absorption":"Rapid absorption following oral administration","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB01122"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB01294"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB01010"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB01397"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00211"},{"ID":"DB01400"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB01346"},{"ID":"DB01045"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00418"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00072"},{"ID":"DB01401"},{"ID":"DB01339"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000860","Name":"Triamcinolone acetonide"},{"ID":"DBSALT000859","Name":"Triamcinolone diacetate"},{"ID":"DBSALT000861","Name":"Triamcinolone hexacetonide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00621","Name":"Oxandrolone","DrugType":"small molecule","HalfLife":"0.55 hours (1st phage), 9 hours (2nd phase)","Description":"A synthetic hormone with anabolic and androgenic properties. [PubChem]","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"Use to promote weight gain after weight loss following extensive surgery.","Toxicity":"The oral LD50 of oxandrolone in mice and dogs is greater than 5,000 mg/kg.","MechanismOfAction":"Oxandrolones interact with androgen receptors in target tissues.","Pharmacodynamics":"Oxandrolone is an anabolic steroids indicated as adjunctive therapy to promote weight gain after weight loss following extensive surgery, chronic infections, or severe trauma, and in some patients who without definite pathophysiologic reasons fail to gain or to maintain normal weight, to offset the protein catabolism associated with prolonged administration of corticosteroids, and for the relief of the bone pain frequently accompanying osteoporosis. Anabolic steroids are synthetic derivatives of testosterone.","Absorption":"","Interactions":[{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00622","Name":"Nicardipine","DrugType":"small molecule","HalfLife":"8.6 hours","Description":"A potent calcium channel blockader with marked vasodilator action. It has antihypertensive properties and is effective in the treatment of angina and coronary spasms without showing cardiodepressant effects. It has also been used in the treatment of asthma and enhances the action of specific antineoplastic agents. [PubChem]","Classification":{"Description":"This compound belongs to the dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.","DirectParent":"Dihydropyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"Used for the management of patients with chronic stable angina and for the treatment of hypertension.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e Rat = 184 mg/kg, Oral LD\u003csub\u003e50\u003c/sub\u003e Mouse = 322 mg/kg","MechanismOfAction":"By deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, nicardipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Pharmacodynamics":"Nicardipine, a dihydropyridine calcium-channel blocker, is used alone or with an angiotensin-converting enzyme inhibitor, to treat hypertension, chronic stable angina pectoris, and Prinzmetal's variant angina. Nicardipine is similar to other peripheral vasodilators. Nicardipine inhibits the influx of extra cellular calcium across the myocardial and vascular smooth muscle cell membranes possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum. The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Absorption":"While nicardipine is completely absorbed, it is subject to saturable first pass metabolism and the systemic bioavailability is about 35% following a 30 mg oral dose at steady state.","Interactions":[{"ID":"DB01558"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB01369"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00599"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01124"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00214"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00374"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":[{"ID":"DBSALT000499","Name":"Nicardipine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00623","Name":"Fluphenazine","DrugType":"small molecule","HalfLife":"","Description":"A phenothiazine used in the treatment of psychoses. Its properties and uses are generally similar to those of chlorpromazine. [PubChem]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For management of manifestations of psychotic disorders.","Toxicity":"","MechanismOfAction":"Fluphenazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis.","Pharmacodynamics":"Fluphenazine is a trifluoro-methyl phenothiazine derivative intended for the management of schizophrenia and other psychotic disorders. Fluphenazine has not been shown effective in the management of behaviorial complications in patients with mental retardation.","Absorption":"","Interactions":[{"ID":"DB00182"},{"ID":"DB00289"},{"ID":"DB00865"},{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00574"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB00579"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000776","Name":"Fluphenazine decanoate"},{"ID":"DBSALT000288","Name":"Fluphenazine dihydrochloride"},{"ID":"DBSALT000777","Name":"Fluphenazine enanthate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00624","Name":"Testosterone","DrugType":"small molecule","HalfLife":"10-100 minutes","Description":"Testosterone is a steroid sex hormone found in both men and women. In men, testosterone is produced primarily by the Leydig (interstitial) cells of the testes when stimulated by luteinizing hormone (LH). It functions to stimulate spermatogenesis, promote physical and functional maturation of spermatozoa, maintain accessory organs of the male reproductive tract, support development of secondary sexual characteristics, stimulate growth and metabolism throughout the body and influence brain development by stimulating sexual behaviors and sexual drive. In women, testosterone is produced by the ovaries (25%), adrenals (25%) and via peripheral conversion from androstenedione (50%). Testerone in women functions to maintain libido and general wellbeing. Testosterone exerts a negative feedback mechanism on pituitary release of LH and follicle-stimulating hormone (FSH). Testosterone may be further converted to dihydrotestosterone or estradiol depending on the tissue. ","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"To be used as hormone replacement or substitution of diminished or absent endogenous testosterone. Use in males: For management of congenital or acquired hypogonadism, hypogonadism associated with HIV infection, and male climacteric (andopause). Use in females: For palliative treatment of androgen-responsive, advanced, inoperable, metastatis (skeletal) carcinoma of the breast in women who are 1-5 years postmenopausal; testosterone esters may be used in combination with estrogens in the management of moderate to severe vasomotor symptoms associated with menopause in women who do not respond to adequately to estrogen therapy alone.","Toxicity":"Side effects include amnesia, anxiety, discolored hair, dizziness, dry skin, hirsutism, hostility, impaired urination, paresthesia, penis disorder, peripheral edema, sweating, and vasodilation.","MechanismOfAction":"The effects of testosterone in humans and other vertebrates occur by way of two main mechanisms: by activation of the androgen receptor (directly or as DHT), and by conversion to estradiol and activation of certain estrogen receptors. Free testosterone (T) is transported into the cytoplasm of target tissue cells, where it can bind to the androgen receptor, or can be reduced to 5\u0026alpha;-dihydrotestosterone (DHT) by the cytoplasmic enzyme 5\u0026alpha;-reductase. DHT binds to the same androgen receptor even more strongly than T, so that its androgenic potency is about 2.5 times that of T. The T-receptor or DHT-receptor complex undergoes a structural change that allows it to move into the cell nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects.","Pharmacodynamics":"Testosterone is a steroid hormone from the androgen group. Testosterone is primarily secreted from the testes of males. In females, it is produced in the ovaries, adrenal glands and by conversion of adrostenedione in the periphery. It is the principal male sex hormone and an anabolic steroid. In both males and females, it plays key roles in health and well-being. Examples include enhanced libido, energy, immune function, and protection against osteoporosis. On average, the adult male body produces about twenty times the amount of testosterone than an adult female's body does.","Absorption":"Approximately 10% of the testosterone dose applied on the skin surface is absorbed into systemic circulation","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB01248"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT001030","Name":"Testosterone Enanthate"},{"ID":"DBSALT001031","Name":"Testosterone Heptanoate"},{"ID":"DBSALT001032","Name":"Testosterone Propionate"},{"ID":"DBSALT001033","Name":"Testosterone Undecanoate"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00068","Drugs":["DB00624","DB00783","DB01373","DB03435"]},{"ID":"SMP00356","Drugs":["DB00624","DB00783","DB01373","DB03435"]},{"ID":"SMP00565","Drugs":["DB00624","DB00783","DB01373","DB03435"]}]},{"ID":"DB00625","Name":"Efavirenz","DrugType":"small molecule","HalfLife":"40-55 hours","Description":"Efavirenz (brand names Sustiva® and Stocrin®) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) and is used as part of highly active antiretroviral therapy (HAART) for the treatment of a human immunodeficiency virus (HIV) type 1.\r\n\r\nFor HIV infection that has not previously been treated, efavirenz and lamivudine in combination with zidovudine or tenofovir is the preferred NNRTI-based regimen.\r\n\r\nEfavirenz is also used in combination with other antiretroviral agents as part of an expanded postexposure prophylaxis regimen to prevent HIV transmission for those exposed to materials associated with a high risk for HIV transmission.","Classification":{"Description":"This compound belongs to the benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).","DirectParent":"Benzoxazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazines","SubClass":""},"Indication":"For use in combination treatment of HIV infection (AIDS)","Toxicity":"","MechanismOfAction":"Similar to zidovudine, efavirenz inhibits the activity of viral RNA-directed DNA polymerase (i.e., reverse transcriptase). Antiviral activity of efavirenz is dependent on intracellular conversion to the active triphosphorylated form. The rate of efavirenz phosphorylation varies, depending on cell type. It is believed that inhibition of reverse transcriptase interferes with the generation of DNA copies of viral RNA, which, in turn, are necessary for synthesis of new virions. Intracellular enzymes subsequently eliminate the HIV particle that previously had been uncoated, and left unprotected, during entry into the host cell. Thus, reverse transcriptase inhibitors are virustatic and do not eliminate HIV from the body. Even though human DNA polymerase is less susceptible to the pharmacologic effects of triphosphorylated efavirenz, this action may nevertheless account for some of the drug's toxicity.","Pharmacodynamics":"Efavirenz (dideoxyinosine, ddI) is an oral nucleoside reverse transcriptase inhibitor (NRTI). It is a synthetic purine derivative and, similar to zidovudine, zalcitabine, and stavudine. Efavirenz was originally approved specifically for the treatment of HIV infections in patients who failed therapy with zidovudine. Currently, the CDC recommends that Efavirenz be given as part of a three-drug regimen that includes another nucleoside reverse transcriptase inhibitor (e.g., lamivudine, stavudine, zidovudine) and a protease inhibitor or efavirenz when treating HIV infection.","Absorption":"","Interactions":[{"ID":"DB00404"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB00091"},{"ID":"DB00320"},{"ID":"DB06210"},{"ID":"DB00696"},{"ID":"DB08866"},{"ID":"DB06414"},{"ID":"DB00224"},{"ID":"DB00227"},{"ID":"DB00333"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB00683"},{"ID":"DB08864"},{"ID":"DB01656"},{"ID":"DB01232"},{"ID":"DB00641"},{"ID":"DB01323"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00342"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB05294"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00740","Drugs":["DB00625"]}]},{"ID":"DB00626","Name":"Bacitracin","DrugType":"small molecule","HalfLife":"","Description":"Bacitracin is a mixture of related cyclic polypeptides produced by organisms of the licheniformis group of Bacillus subtilis var Tracy. Its unique name derives from the fact that the bacillus producing it was first isolated in 1943 from a knee scrape from a girl named Margaret Tracy. As a toxic and difficult-to-use antibiotic, bacitracin doesn't work well orally. However, it is very effective topically.\r\n\r\nBacitracin is synthesised via the so-called nonribosomal peptide synthetases (NRPSs), which means that ribosomes are not involved in its synthesis.","Classification":{"Description":"This compound belongs to the peptidomimetics. These are compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide.","DirectParent":"Peptidomimetics","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of infants with pneumonia and empyema caused by staphylococci shown to be susceptible to the drug. Also used in ointment form for topical treatment of a variety of localized skin and eye infections, as well as for the prevention of wound infections. Used against gram positive bacteria. Bacitracin is also used as an inhibitor of proteases and other enzymes. \r\nHowever, specific activity of bactracin's inhibition of protein disulfide isomerase has been called into question. ","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = \u003e3750 mg/kg.","MechanismOfAction":"Bacitracin intereferes with the dephosphorylation of the 55-carbon, biphosphate lipid transport molecule C55-isoprenyl pyrophosphate (undecaprenyl pyrophosphate), which carries the building blocks of the peptidoglycan bacterial cell wall outside the inner membrane for construction. Bacitracin binds divalent transition metal ions (Mn(II), Co(II), Ni(II), Cu(II), and Zn(II)) which binds and oxidatively cleave DNA. ","Pharmacodynamics":"Bacitracin is a mixture of related cyclic polypeptides produced by organisms of the licheniformis group of \u003ci\u003eBacillus subtilis var\u003c/i\u003e Tracy. As a polypeptide, toxic, and difficult to use chemical, bacitracin doesn't work well orally, however is very effective topically. Bacitracin exerts pronounced antibacterial action in vitro against a variety of gram-positive and a few gram-negative organisms. However, among systemic diseases, only staphylococcal infections qualify for consideration of bacitracin therapy. ","Absorption":"Absorption of bacitracin following intramuscular injection is rapid and complete. Absorption from the gastrointestinal tract following oral administration is not appreciable. Absorption following topical application is negligible.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00627","Name":"Niacin","DrugType":"small molecule","HalfLife":"20-45 minutes.","Description":"A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has pellagra-curative, vasodilating, and antilipemic properties. [PubChem]","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.","DirectParent":"Pyridinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"For the treatment of type IV and V hyperlipidemia. It is indicated as ajunctive therapy.","Toxicity":"Nicotinic acid can cause vasodilation of cutaneous blood vessels resulting in increased blood flow, principally in the face, neck and chest. This produces the niacin- or nicotinic acid-flush. The niacin-flush is thought to be mediated via the prostaglandin prostacyclin. Histamine may also play a role in the niacin-flush. Flushing is the adverse reaction first observed after intake of a large dose of nicotinic acid, and the most bothersome one. LD\u003csub\u003e50\u003c/sub\u003e 7000 mg/kg (Rat)","MechanismOfAction":"Niacin binds to Nicotinate D-ribonucleotide phyrophsopate phosphoribosyltransferase, Nicotinic acid phosphoribosyltransferase, Nicotinate N-methyltransferase and the Niacin receptor. Niacin is the precursor to nicotinamide adenine dinucleotide (NAD) and nicotinamide adenine dinucleotide phosphate (NADP), which are vital cofactors for dozens of enzymes. The mechanism by which niacin exerts its lipid lowering effects is not entirely understood, but may involve several actions, including a decrease in esterification of hepatic triglycerides. Niacin treatment also decreases the serum levels of apolipoprotein B-100 (apo B), the major protein component of the VLDL (very low-density lipoprotein) and LDL fractions.","Pharmacodynamics":"Niacin and niacinamide are indicated for prevention and treatment of vitamin B3 deficiency states. Vitamin B3 (Niacin) also acts to reduce LDL cholesterol, triglycerides, and HDL cholesterol. The magnitude of individual lipid and lipoprotein responses may be influenced by the severity and type of underlying lipid abnormality. The increase in total HDL is associated with a shift in the distribution of HDL subfractions (as defined by ultra-centrifugation) with an increase in the HDL2:HDL3 ratio and an increase in apolipoprotein A-I content. Vitamin B3 (Niacin) treatment also decreases the serum levels of apolipoprotein B-100 (apo B), the major protein component of the VLDL (very low-density lipoprotein) and LDL fractions, and of lipoprotein-a, a variant form of LDL independently associated with coronary risk.","Absorption":"Both nicotinic acid and nicotinamide are efficiently absorbed from the stomach and small intestine.","Interactions":[{"ID":"DB00930"},{"ID":"DB00227"},{"ID":"DB08860"}],"Salts":null,"Groups":{"approved":true,"investigational":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00048","Drugs":["DB00118","DB00130","DB00142","DB00627","DB02701"]}]},{"ID":"DB00628","Name":"Clorazepate","DrugType":"small molecule","HalfLife":"The serum half-life is about 2 days. Nordiazepam, the primary metabolite, quickly appears in the blood and is eliminated from the plasma with an apparent half-life of about 40 to 50 hours.","Description":"A water-soluble benzodiazepine derivative effective in the treatment of anxiety. It has also muscle relaxant and anticonvulsant actions. [PubChem]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the management of anxiety disorders or for the short-term relief of the symptoms of anxiety. Also used as adjunctive therapy in the management of partial seizures and for the symptomatic relief of acute alcohol withdrawal.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is 1320 mg/kg. In monkeys, oral LD\u003csub\u003e50\u003c/sub\u003e exceed 1600 mg/kg. Symptoms of overdose include confusion, coma, impaired coordination, sleepiness, and slowed reaction time.","MechanismOfAction":"Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABA\u003csub\u003eA\u003c/sub\u003e) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Pharmacodynamics":"Clorazepate is a member of the group of drugs called benzodiazepines. Pharmacologically, clorazepate has the characteristics of the benzodiazepines. It has depressant effects on the central nervous system. The primary metabolite, nordiazepam, quickly appears in the blood stream. Studies in healthy men have shown that clorazenate has depressant effects on the central nervous system. Since orally administered clorazepate dipotassium is rapidly decarboxylated to form nordiazepam, there is essentially no circulating parent drug.","Absorption":"Rapidly absorbed following oral administration (bioavailability is 91%).","Interactions":[{"ID":"DB00701"},{"ID":"DB00501"},{"ID":"DB00363"},{"ID":"DB00754"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00252"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000953","Name":"Clorazepate dipotassium"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00629","Name":"Guanabenz","DrugType":"small molecule","HalfLife":"6 hours.","Description":"An alpha-2 selective adrenergic agonist used as an antihypertensive agent. [PubChem]","Classification":{"Description":"This compound belongs to the dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.","DirectParent":"Dichlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For management of High blood pressure","Toxicity":"Excessive contraction of the pupils, irritability, low blood pressure, sleepiness, slow heartbeat, sluggishness","MechanismOfAction":"Guanabenz's antihypertensive effect is thought to be due to central alpha-adrenergic stimulation, which results in a decreased sympathetic outflow to the heart, kidneys, and peripheral vasculature in addition to a decreased systolic and diastolic blood pressure and a slight slowing of pulse rate. Chronic administration of guanabenz also causes a decrease in peripheral vascular resistance.","Pharmacodynamics":"Guanabenz, a centrally acting \u0026alpha;-2 adrenergic agonist, is indicated for treatment of hypertension.","Absorption":"Approximately 75% absorbed from gastrointestinal tract","Interactions":[{"ID":"DB00730"},{"ID":"DB00374"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT000649","Name":"Guanabenz Acetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00630","Name":"Alendronate","DrugType":"small molecule","HalfLife":"\u003e10 years","Description":"Alendronate is a nitrogen-containing, second generation bisphosphonate. Bisphosphonates were first used to treat Paget’s disease in 1971. This class of medications is comprised of inorganic pyrophosphate analogues that contain non-hydrolyzable P-C-P bonds. Similar to other bisphosphonates, alendronate has a high affinity for bone mineral and is taken up during osteoclast resorption. Alendronate inhibits farnesyl pyrophosphate synthetase, one of the enzymes in the mevalonic acid pathway involved in producing isoprenoid compounds that are essential for post-translational modification of small guanosine triphosphate (GTP)-binding proteins, such as Rho, Ras and Rab. Inhibition of this process interferes with osteoclast function and survival. Alendronate is used for the treatment of osteoporosis and Paget’s disease. ","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"For the treatment and prevention of osteoporosis in women and Paget's disease of bone in both men and women.","Toxicity":"Alendronate can damage the esophagus both by toxicity from the medication itself and by nonspecific irritation secondary to contact between the pill and the esophageal mucosa, similar to other cases of \"pill esophagitis.\"","MechanismOfAction":"The action of Alendronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Alendronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.","Pharmacodynamics":"Alendronate, a second-generation bisphosphonate is the first member of a group of drugs which strengthens bone. Alendronate is used to reduce hypercalcemia in tumor-induced bone disease, to treat corticosteroid-induced osteoporosis and Paget's disease, and to prevent osteoporosis in postmenopausal women.","Absorption":"Relative to an intravenous (IV) reference dose, the mean oral bioavailability of alendronate in women was 0.7% for doses ranging from 5 to 40 mg when administered after an overnight fast and two hours before a standardized breakfast. Oral bioavailability of the 10 mg tablet in men (0.59%) was similar to that in women (0.78%) when administered after an overnight fast and 2 hours before breakfast.","Interactions":[{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB00749"},{"ID":"DB00573"},{"ID":"DB00712"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00893"},{"ID":"DB00465"},{"ID":"DB01378"},{"ID":"DB00784"},{"ID":"DB00461"},{"ID":"DB00788"},{"ID":"DB00991"},{"ID":"DB03585"},{"ID":"DB00554"},{"ID":"DB00469"}],"Salts":[{"ID":"DBSALT000315","Name":"Alendronate Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00631","Name":"Clofarabine","DrugType":"small molecule","HalfLife":"The terminal half-life is estimated to be 5.2 hours.","Description":"Clofarabine is a purine nucleoside antimetabolite that is being studied in the treatment of cancer. It is marketed in the U.S. and Canada as Clolar. In Europe and Australia/New Zealand the product is marketed under the name Evoltra.\r\n\r\nClofarabine is used in paediatrics to treat a type of leukaemia called relapsed or refractory acute lymphoblastic leukaemia (ALL), only after at least two other types of treatment have failed. It is not known if the drug extends life expectancy. Some investigations of effectiveness in cases of acute myeloid leukaemia (AML) and juvenile myelomonocytic leukaemia (JMML) have been carried out.","Classification":{"Description":"This compound belongs to the purine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a purine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Purine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of pediatric patients 1 to 21 years old with relapsed or refractory acute lymphocytic (lymphoblastic) leukemia after at least two prior regimens. It is designated as an orphan drug by the FDA for this use.","Toxicity":"There were no known overdoses of clofarabine. The highest daily dose administered to a human to date (on a mg/m\u003csup\u003e2\u003c/sup\u003e basis) has been 70 mg/m\u003csup\u003e2\u003c/sup\u003e/day \u0026times; 5 days (2 pediatric ALL patients). The toxicities included in these 2 patients included grade 4 hyperbilirubinemia, grade 2 and 3 vomiting, and grade 3 maculopapular rash.","MechanismOfAction":"Clofarabine is metabolized intracellularly to the active 5'-monophosphate metabolite by deoxycytidine kinase and 5'-triphosphate metabolite by mono- and di-phospho-kinases. This metabolite inhibits DNA synthesis through an inhibitory action on ribonucleotide reductase, and by terminating DNA chain elongation and inhibiting repair through competitive inhibition of DNA polymerases. This leads to the depletion of the intracellular deoxynucleotide triphosphate pool and the self-potentiation of clofarabine triphosphate incorporation into DNA, thereby intensifying the effectiveness of DNA synthesis inhibition. The affinity of clofarabine triphosphate for these enzymes is similar to or greater than that of deoxyadenosine triphosphate. In preclinical models, clofarabine has demonstrated the ability to inhibit DNA repair by incorporation into the DNA chain during the repair process. Clofarabine 5'-triphosphate also disrupts the integrity of mitochondrial membrane, leading to the release of the pro-apoptotic mitochondrial proteins, cytochrome C and apoptosis-inducing factor, leading to programmed cell death.","Pharmacodynamics":"Clofarabine is a purine nucleoside antimetabolite that differs from other puring nucleoside analogs by the presence of a chlorine in the purine ring and a flourine in the ribose moiety. Clofarabine seems to interfere with the growth of cancer cells, which are eventually destroyed. Since the growth of normal body cells may also be affected by clofarabine, other effects also occur. Clofarabine prevents cells from making DNA and RNA by interfering with the synthesis of nucleic acids, thus stopping the growth of cancer cells.","Absorption":"","Interactions":[{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB00864"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00632","Name":"Docosanol","DrugType":"small molecule","HalfLife":"","Description":"Docosanol is a drug used for topical treatment for recurrent herpes simplex labialis episodes (episodes of cold sores or fever blisters). A saturated 22-carbon aliphatic alcohol, docosanol exhibits antiviral activity against many lipid enveloped viruses including herpes simplex virus (HSV). Docosanol inhibits fusion between the plasma membrane and the herpes simplex virus (HSV) envelope, thereby preventing viral entry into cells and subsequent viral replication.","Classification":{"Description":"This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","DirectParent":"Fatty Alcohols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Alcohols","SubClass":""},"Indication":"For the topical treatment of recurrent oral-facial herpes simplex episodes (cold sores or fever blisters).","Toxicity":"Symptoms of overdose include headache, abdominal pain, increased serum lipase, nausea, dyspepsia, dizziness, and hyperbilirubinemia.","MechanismOfAction":"Docosanol works by inhibiting fusion between the human cell plasma membrane and the herpes simplex virus (HSV) envelope, thereby preventing viral entry into cells and subsequent viral replication. Unlike other cold-sore antivirals, docosanol does not act directly on the virus, and as such it is unlikely it will produce drug resistant mutants of HSV.","Pharmacodynamics":"Docosanol is a saturated 22-carbon aliphatic alcohol which exhibits antiviral activity against many lipid enveloped viruses including herpes simplex virus (HSV). Docosanol speeds the healing of cold sores and fever blisters on the face or lips. It also relieves the accompanying symptoms, including tingling, pain, burning, and itching. Docosanol cannot, however, prevent cold sores or fever blisters from appearing.","Absorption":"Topical absorption has been shown to be minimal under conditions reflecting normal clinical use.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00633","Name":"Dexmedetomidine","DrugType":"small molecule","HalfLife":"2 hours","Description":"An agonist of receptors, adrenergic alpha-2 that is used in veterinary medicine for its analgesic and sedative properties. It is the racemate of dexmedetomidine. [PubChem]","Classification":{"Description":"This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.","DirectParent":"Toluenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Toluenes"},"Indication":"For sedation of initially intubated and mechanically ventilated patients during treatment in an intensive care setting, also used in pain relief; anxiety reduction and analgesia","Toxicity":"","MechanismOfAction":"Dexmedetomidine is a specific and selective alpha-2 adrenoceptor agonist. By binding to the presynaptic alpha-2 adrenoceptors, it inhibits the release if norepinephrine, therefore, terminate the propagation of pain signals. Activation of the postsynaptic alpha-2 adrenoceptors inhibits the sympathetic activity decreases blood pressure and heart rate.","Pharmacodynamics":"Dexmedetomidine activates 2-adrenoceptors, and causes the decrease of sympathetic tone, with attenuation of the neuroendocrine and hemodynamic responses to anesthesia and surgery; it reduces anesthetic and opioid requirements; and causes sedation and analgesia.","Absorption":"","Interactions":[{"ID":"DB00752"},{"ID":"DB00374"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT001013","Name":"Dexmedetomidine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00634","Name":"Sulfacetamide","DrugType":"small molecule","HalfLife":"7-12.8 hours","Description":"An anti-infective agent that is used topically to treat skin infections and orally for urinary tract infections. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of bacterial vaginitis, keratitis, acute conjunctivitis, and blepharitis.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e Mouse : 16500 mg/kg. Side effects include moderate to severe erythema (redness) and moderate edema (raised kin), nausea, vomiting, headache, dizziness, and tiredness. Higher exposure causes unconsciousness.","MechanismOfAction":"Sulfacetamide is a competitive inhibitor of bacterial para-aminobenzoic acid (PABA), an essential component for bacterial growth (according to the Woods-Fildes theory). The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Pharmacodynamics":"Sulfacetamide is a sulfonamide antibiotic. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000986","Name":"Sulfacetamide sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00635","Name":"Prednisone","DrugType":"small molecule","HalfLife":"Half life of both the immediate- and delayed- release formulation is 2 to 3 hours. ","Description":"A synthetic anti-inflammatory glucocorticoid derived from cortisone. It is biologically inert and converted to prednisolone in the liver. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the treatment of drug-induced allergic reactions, perennial or seasonal allergic rhinitis, serum sickness, giant cell arteritis acute rheumatic or nonrheumatic carditis, systemic dermatomyositis, systemic lupus erythematosus, atopic dermatitis, contact dermatitis, exfoliative dermatitis, bullous dermatitis herpetiformis, severe seborrheic dermatitis, severe (Stevens-Johnson syndrome) erythema multiforme, mycosis fungoides, pemphigus, severe psoriasis, acute adrenocortical insufficiency, Addison's disease, secondary adrenocortical insufficiency, congenital adrenal hyperplasia, hypercalcemia associated with neoplasms, nonsuppurative thyroiditis, ulceratice colitis, Crohn's disease, acquired hemolytic anemia, congenital hypoplastic anemia, erythroblastopenia, adult secondary thrombocytopenia, adult idiopathic thrombocytopenia purpura, acute or subacute bursitis, epicondylitis, acute nonspecific tenosynovitis, acute or chronic lymphocytic leukemia, Hodgkin's or non-Hodgkin's lynphomas, Waldenstrom's macroglobulinemia, primary brain tumors (adjunct), nephrotic syndrome, tuberculous meningitis, multiple sclerosis, myasthenia gravis. cerebral edema, chorioretinitis, diffuse posterior choroiditis, aleergic conjunctivitis, Herpes zoster ophthalmicus, anterior segment inflammation, iridocyclitis, iritis, keratitis, optoc neuritis, sympathetic ophthalmia, corneal marginal allergic ulcers, symptomatic sarcoidosis, Loeffler's syndrome not manageable by other means, berylliosis, fulminating or disseminated pulmonary tuberculosis when used concurrently with appropriate antituberculous chemotherapy and aspiration pneumonitis.","Toxicity":"","MechanismOfAction":"Prednisone is a glucocorticoid receptor agonist. It is first metabolized in the liver to its active form, prednisolone. Prednisolone crosses cell membranes and binds with high affinity to specific cytoplasmic receptors. The result includes inhibition of leukocyte infiltration at the site of inflammation, interference in the function of mediators of inflammatory response, suppression of humoral immune responses, and reduction in edema or scar tissue. The antiinflammatory actions of corticosteroids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Prednisone can stimulate secretion of various components of gastric juice. Suppression of the production of corticotropin may lead to suppression of endogenous corticosteroids. Prednisone has slight mineralocorticoid activity, whereby entry of sodium into cells and loss of intracellular potassium is stimulated. This is particularly evident in the kidney, where rapid ion exchange leads to sodium retention and hypertension.","Pharmacodynamics":"Prednisone, the most commonly-prescribed corticosteroid, is used to treat allograft rejection, asthma, systemic lupus erythematosus, and many other inflammatory states. Prednisone has some mineralocorticoid activity and thus may affect ion exchange in the kidney. ","Absorption":"Readily absorbed from the gastrointestinal tract. Rayos, the delayed-release formulation, has a 4-hour release time. To compare, the delayed-release formulation has a Tmax of 6.0 - 6.5 hours in healthy male subjects, whereas the immediate-release formulation has a Tmax of 2.0 hours. The rate of absorption, Cmax, and exposure is comparable between formulations. ","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB01122"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB01294"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00269"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00266"},{"ID":"DB00255"},{"ID":"DB01341"},{"ID":"DB01010"},{"ID":"DB00783"},{"ID":"DB04573"},{"ID":"DB00655"},{"ID":"DB04574"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB06223"},{"ID":"DB01320"},{"ID":"DB08909"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB05039"},{"ID":"DB00046"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB08882"},{"ID":"DB01397"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00211"},{"ID":"DB01400"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB04575"},{"ID":"DB01346"},{"ID":"DB01045"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00418"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00072"},{"ID":"DB01401"},{"ID":"DB01339"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00631","Drugs":["DB00635","DB00860"]},{"ID":"SMP00440","Drugs":["DB00635","DB00860"]}]},{"ID":"DB00636","Name":"Clofibrate","DrugType":"small molecule","HalfLife":"Half-life in normal volunteers averages 18 to 22 hours (range 14 to 35 hours) but can vary by up to 7 hours in the same subject at different times.","Description":"A fibric acid derivative used in the treatment of hyperlipoproteinemia type III and severe hypertriglyceridemia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p986)","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"For Primary Dysbetalipoproteinemia (Type III hyperlipidemia) that does not respond adequately to diet. This helps control high cholesterol and high triglyceride levels. ","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 1220 mg/kg; Oral, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = 1370 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 940 mg/kg. No reported case of overdosage in humans.","MechanismOfAction":"Clofibrate increases the activity of extrahepatic lipoprotein lipase (LL), thereby increasing lipoprotein triglyceride lipolysis. Chylomicrons are degraded, VLDLs are converted to LDLs, and LDLs are converted to HDL. This is accompanied by a slight increase in secretion of lipids into the bile and ultimately the intestine. Clofibrate also inhibits the synthesis and increases the clearance of apolipoprotein B, a carrier molecule for VLDL. Also, as a fibrate, Clofibrate is an agonist of the PPAR-α receptor[4] in muscle, liver, and other tissues. This agonism ultimately leads to modification in gene expression resulting in increased beta-oxidation, decreased triglyceride secretion, increased HDL, increased lipoprotein lipase activity.","Pharmacodynamics":"Clofibrate is an antilipidemic agent similar to gemfibrozil. It acts to lower elevated serum lipids by reducing the very low-density lipoprotein fraction (S\u003csub\u003ef\u003c/sub\u003e 20-400) rich in triglycerides. Serum cholesterol may be decreased, particularly in those patients whose cholesterol elevation is due to the presence of IDL as a result of Type III hyperlipoproteinemia. Several investigators have observed in their studies that clofibrate may produce a decrease in cholesterol linoleate but an increase in palmitoleate and oleate, the latter being considered atherogenic in experimental animals. The significance of this finding is unknown at this time. Reduction of triglycerides in some patients treated with clofibrate or certain of its chemically and clinically similar analogs may be associated with an increase in LDL cholesterol. Increase in LDL cholesterol has been observed in patients whose cholesterol is initially normal. Animal studies suggest that clofibrate interrupts cholesterol biosynthesis prior to mevalonate formation.","Absorption":"Completely but slowly absorbed from the intestine. Between 95% and 99% of an oral dose of clofibrate is excreted in the urine as free and conjugated clofibric acid; thus, the absorption of clofibrate is virtually complete.","Interactions":[{"ID":"DB01418"},{"ID":"DB00414"},{"ID":"DB01125"},{"ID":"DB00672"},{"ID":"DB00266"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01306"},{"ID":"DB01307"},{"ID":"DB01309"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB01586"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00637","Name":"Astemizole","DrugType":"small molecule","HalfLife":"1 day","Description":"Astemizole is a long-acting, non-sedating second generation antihistamine used in the treatment of allergy symptoms. It was withdrawn from market by the manufacturer in 1999 due to the potential to cause arrhythmias at high doses, especially when when taken with CYP inhibitors or grapefruit juice.","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"Astemizole was indicated for use in the relieving allergy symptoms, particularly rhinitis and conjunctivitis. It has been withdrawn from the market however due to concerns of arrhythmias.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=2052mg/kg in mice","MechanismOfAction":"Astemizole competes with histamine for binding at H\u003csub\u003e1\u003c/sub\u003e-receptor sites in the GI tract, uterus, large blood vessels, and bronchial muscle. This reversible binding of astemizole to H\u003csub\u003e1\u003c/sub\u003e-receptors suppresses the formation of edema, flare, and pruritus resulting from histaminic activity. As the drug does not readily cross the blood-brain barrier and preferentially binds at H1 receptors in the peripehery rather than within the brain, CNS depression is minimal. Astemizole may also act on H\u003csub\u003e3\u003c/sub\u003e-receptors, producing adverse effects.","Pharmacodynamics":"Astemizole is a second generation H\u003csub\u003e1\u003c/sub\u003e-receptor antagonist. It does not significantly cross the blood brain barrier and therefore does not cause drowsiness or CNS depression at normal doses.","Absorption":"Rapidly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01244"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB00705"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB00365"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB00933"},{"ID":"DB01388"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB01263"},{"ID":"DB00468"},{"ID":"DB01369"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01208"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB00679"},{"ID":"DB00932"},{"ID":"DB01361"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00638","Name":"Inulin","DrugType":"small molecule","HalfLife":"2-4 hours","Description":"A starch found in the tubers and roots of many plants. Since it is hydrolyzable to fructose, it is classified as a fructosan. It has been used in physiologic investigation for determination of the rate of glomerular function. [PubChem]","Classification":{"Description":"This compound belongs to the mixed pentose/hexose polysaccharides. These are polysaccharides containing both an hexose and a pentose.","DirectParent":"Mixed Pentose/Hexose Polysaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Polysaccharides"},"Indication":"Historically used in an important medical test of renal function, specifically a measure of glomerular filtration rate. Sometimes used to help relieve symptoms of diabetes mellitus - a condition characterised by hyperglycemia and/or hyperinsulinemia.","Toxicity":"","MechanismOfAction":"As a diagnostic agent, inulin is readily soluble and essentially indigestible. It readily passes through the blood and into the urine. It is neither secreted nor resorbed by the kidney making it an excellent indicator for renal clearance rates. The inulin clearance test has largely been succeeded by the creatinine clearance test as a measure of glomerular filtration rate. As a hypoglycemic agent, inulin is not digestible by human enzymes ptyalin and amylase, which are designed to digest starch. As a result, inulin passes through much of the digestive system intact. It is only in the colon that bacteria metabolise inulin, with the release of significant quantities of carbon dioxide and/or methane. Because inulin is not broken down into simple sugars (monosaccharides) by normal digestion, it does not elevate blood sugar levels, hence, helping diabetics regulate blood sugar levels.","Pharmacodynamics":"The inulin test is a procedure by which the filtering capacity of the glomeruli (the main filtering structures of the kidney) is determined by measuring the rate at which inulin, the test substance, is cleared from blood plasma. Inulin is one of the more suitable and accurate substance to measure because it is a small, inert polysaccharide molecule that readily passes through the glomeruli. The inulin clearance test is performed by injecting inulin, waiting for it to be distributed, and then measuring plasma and urine inulin concentrations by various assays. As nutraceutical agents inulins may have antitumor, antimicrobial, hypolipidemic and hypoglycemic actions. They may also help to improve mineral absorption and balance and may have antiosteoporotic activity.","Absorption":"Poorly absorbed, passes through to urine unmetabolized","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00639","Name":"Butoconazole","DrugType":"small molecule","HalfLife":"","Description":"Butoconazole is an imidazole antifungal used in gynecology.","Classification":{"Description":"This compound belongs to the dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.","DirectParent":"Dichlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For the local treatment of vulvovaginal candidiasis (infections caused by Candida)","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = \u003e1720 mg/kg.","MechanismOfAction":"The exact mechanism of the antifungal action of butoconazole is unknown, however, it is presumed to function as other imidazole derivatives via inhibition of steroid synthesis. Imidazoles generally inhibit the conversion of lanosterol to ergosterol via the inhibition of the enzyme cytochrome P450 14\u0026alpha;-demethylase, resulting in a change in fungal cell membrane lipid composition. This structural change alters cell permeability and, ultimately, results in the osmotic disruption or growth inhibition of the fungal cell.","Pharmacodynamics":"Butoconazole is an imidazole derivative that has fungicidal activity \u003ci\u003ein vitro\u003c/i\u003e against \u003ci\u003eCandida\u003c/i\u003e spp. and has been demonstrated to be clinically effective against vaginal infections due to \u003ci\u003eCandida albicans\u003c/i\u003e. \u003ci\u003eCandida albicans\u003c/i\u003e has been identified as the predominant species responsible for vulvovaginal candidasis.","Absorption":"Following vaginal administration of butoconazole nitrate vaginal cream, 2% to 3 women, 1.7% (range 1.3-2.2%) of the dose was absorbed on average.","Interactions":null,"Salts":[{"ID":"DBSALT001012","Name":"Butoconazole nitrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00640","Name":"Adenosine","DrugType":"small molecule","HalfLife":"Less than 10 secs","Description":"A nucleoside that is composed of adenine and d-ribose. Adenosine or adenosine derivatives play many important biological roles in addition to being components of DNA and RNA. Adenosine itself is a neurotransmitter. [PubChem]","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Used as an initial treatment for the termination of paroxysmal supraventricular tachycardia (PVST), including that associated with accessory bypass tracts, and is a drug of choice for terminating stable, narrow-complex supraventricular tachycardias (SVT). Also used as an adjunct to thallous chloride TI 201 myocardial perfusion scintigraphy (thallium stress test) in patients who are unable to exercise adequately, as well as an adjunct to vagal maneuvers and clinical assessment to establish a specific diagnosis of undefined, stable, narrow-complex SVT.","Toxicity":"","MechanismOfAction":"Adenosine slows conduction time through the AV node and can interrupt the reentry pathways through the AV node, resulting in the restoration of normal sinus rhythm in patients with paroxysmal supraventricular tachycardia (PSVT), including PSVT associated with Wolff-Parkinson-White Syndrome. This effect may be mediated through the drug's activation of cell-surface A\u003csub\u003e1\u003c/sub\u003e and A\u003csub\u003e2\u003c/sub\u003e adenosine receptors. Adenosine also inhibits the slow inward calcium current and activation of adenylate cyclase in smooth muscle cells, thereby causing relaxation of vascular smooth muscle. By increasing blood flow in normal coronary arteries with little or no increase in stenotic arteries (with little to no increase in stenotic arteries), adenosine produces a relative difference in thallous (thallium) chloride TI 201 uptake in myocardium supplied by normal verus stenotic coronary arteries.","Pharmacodynamics":"Adenosine is an endogenous nucleoside occurring in all cells of the body and is not chemically related to other antiarrhythmic drugs. Adenosine may exert its pharmacologic effects by activation of purine (cell surface A\u003csub\u003e1\u003c/sub\u003e and A\u003csub\u003e2\u003c/sub\u003e adenosine) receptors, as well as relax vascular smooth muscles through the reduction in calcium uptake by inhibition of slow inward calcium current and activation of adenylate cyclase in smooth muscle cells. Adenosine may reduce vascular tone by modulation of sympathetic neurotransmission. The drug also has negative chronotropic, dromotropic, and inotropic effects on the heart by slowing conduction time throught he AV node and interrupting AV nodal reentry pathways. Adenosine is a potent vasodilator in most vascular beds, but vasoconstriction is produced in renal afferent arterioles and hepatic veins. The drug produces a net mild to moderate reduction in systolic, diastolic, and mean arterial blood pressure and a reflex increase in heart rate. Adenosine is antagonized competitively by methylxanthines such as caffeine and theophylline, and potentiated by blockers of nucleoside transport such as dipyridamole. Adenosine is not blocked by atropine.","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00201"},{"ID":"DB00975"},{"ID":"DB00651"},{"ID":"DB01303"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00320","Drugs":["DB00640","DB01593","DB02527"]},{"ID":"SMP00321","Drugs":["DB00640","DB01593","DB02527"]},{"ID":"SMP00029","Drugs":["DB00133","DB00160","DB00640","DB02345","DB04553"]},{"ID":"SMP00123","Drugs":["DB00116","DB00118","DB00134","DB00640","DB01345","DB01593"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00340","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00570","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00221","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB00641","Name":"Simvastatin","DrugType":"small molecule","HalfLife":"3 hours","Description":"Simvastatin is a lipid-lowering agent that is derived synthetically from the fermentation of Aspergillus terreus. It is a potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (hydroxymethylglutaryl COA reductases), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL receptors, it increases breakdown of LDL cholesterol. [PubChem]","Classification":{"Description":"This compound belongs to the delta valerolactones. These are cyclic organic compounds containing a 1-hydroxy-3,4,5,6-tetrahydro-1,2-thiazin-1- one moiety.","DirectParent":"Delta Valerolactones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactones","SubClass":"Delta Valerolactones"},"Indication":"For the treatment of hypercholesterolemia and for the reduction in the risk of cardiac heart disease mortality and cardiovascular events. It can also be used in adolescent patients for the treatment of heterozygous familial hypercholesterolemia. ","Toxicity":"The most common adverse reactions that lead to discontinuation of therapy include gastrointestinal disorders (0.5%), myalgia (0.1%), and arthralgia (0.1%). ","MechanismOfAction":"Simvastatin is a prodrug in which the 6-membered lactone ring of simvastatin is hydrolyzed \u003ci\u003ein vivo\u003c/i\u003e to generate the beta,delta-dihydroxy acid, an active metabolite structurally similar to HMG-CoA (hydroxymethylglutaryl CoA). Once hydrolyzed, simvastatin competes with HMG-CoA for HMG-CoA reductase, a hepatic microsomal enzyme. Interference with the activity of this enzyme reduces the quantity of mevalonic acid, a precursor of cholesterol.","Pharmacodynamics":"Simvastatin, the methylated form of lovastatin, is an oral antilipemic agent which inhibits HMG-CoA reductase. Simvastatin is used in the treatment of primary hypercholesterolemia and is effective in reducing total and LDL-cholesterol as well as plasma triglycerides and apolipoprotein B.","Absorption":"Absorption of simvastatin, estimated relative to an intravenous reference dose, in each of two animal species tested, averaged about 85% of an oral dose. In animal studies, after oral dosing, simvastatin achieved substantially higher concentrations in the liver than in non-target tissues. However, because simvastatin undergoes extensive first-pass metabolism, the availability of the drug in the systemic is low. Peak plasma concentration occurs 1.3 - 2.4 hours after administration. ","Interactions":[{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00559"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB01394"},{"ID":"DB00091"},{"ID":"DB00705"},{"ID":"DB00343"},{"ID":"DB04855"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB01039"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB02703"},{"ID":"DB01241"},{"ID":"DB00619"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB08827"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB06589"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB06335"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB08816"},{"ID":"DB00932"},{"ID":"DB06273"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00082","Drugs":["DB00169","DB00641","DB01592","DB02552","DB04540"]}]},{"ID":"DB00642","Name":"Pemetrexed","DrugType":"small molecule","HalfLife":"3.5 hours","Description":"Pemetrexed (brand name Alimta) is a chemotherapy drug manufactured and marketed by Eli Lilly and Company. Its indications are the treatment of pleural mesothelioma as well as non-small cell lung cancer.","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Used in combination with cisplatin for the treatment of malignant pleural mesothelioma in adults whose disease is unresectable or who otherwise are not candidates for potentially curative surgery. Also used as a monotherapy for the treatment of locally advanced or metastatic non-small cell lung cancer (NSCLC) after prior chemotherapy","Toxicity":"","MechanismOfAction":"Pemetrexed is an antifolate containing the pyrrolopyrimidine-based nucleus that exerts its antineoplastic activity by disrupting folate-dependent metabolic processes essential for cell replication. In vitro studies have shown that pemetrexed inhibits thymidylate synthase (TS), dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT), all folate-dependent enzymes involved in the de novo biosynthesis of thymidine and purine nucleotides. Pemetrexed is transported into cells by both the reduced folate carrier and membrane folate binding protein transport systems. Once in the cell, pemetrexed is converted to polyglutamate forms by the enzyme folylpolyglutamate synthetase. The polyglutamate forms are retained in cells and are inhibitors of TS and GARFT. Polyglutamation is a time- and concentration-dependent process that occurs in tumor cells and, to a lesser extent, in normal tissues. Polyglutamated metabolites have an increased intracellular half-life resulting in prolonged drug action in malignant cells.","Pharmacodynamics":"Preclinical studies have shown that pemetrexed inhibits the in vitro growth of mesothelioma cell lines (MSTO-211H, NCI-H2052). Studies with the MSTO-211H mesothelioma cell line showed synergistic effects when pemetrexed was combined concurrently with cisplatin.","Absorption":"","Interactions":[{"ID":"DB01009"},{"ID":"DB00605"},{"ID":"DB01600"},{"ID":"DB00500"}],"Salts":[{"ID":"DBSALT000846","Name":"Pemetrexed disodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00643","Name":"Mebendazole","DrugType":"small molecule","HalfLife":"2.5 to 5.5 hours (range 2.5 to 9 hours) in patients with normal hepatic function. Approximately 35 hours in patients with impaired hepatic function (cholestasis).","Description":"A benzimidazole that acts by interfering with carbohydrate metabolism and inhibiting polymerization of microtubules. [PubChem]","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"For the treatment of \u003ci\u003eEnterobius vermicularis\u003c/i\u003e (pinworm), \u003ci\u003eTrichuris trichiura\u003c/i\u003e (whipworm), \u003ci\u003eAscaris lumbricoides\u003c/i\u003e (common roundworm), \u003ci\u003eAncylostoma duodenale\u003c/i\u003e (common hookworm), \u003ci\u003eNecator americanus\u003c/i\u003e (American hookworm) in single or mixed infections.","Toxicity":"Acute oral toxicity (LD\u003csub\u003e50\u003c/sub\u003e): 620 mg/kg [Mouse]. Symptoms of overdose include elevated liver enzymes, headaches, hair loss, low levels of white blood cells (neutropenia), fever, and itching.","MechanismOfAction":"Mebendazole causes degenerative alterations in the tegument and intestinal cells of the worm by binding to the colchicine-sensitive site of tubulin, thus inhibiting its polymerization or assembly into microtubules. The loss of the cytoplasmic microtubules leads to impaired uptake of glucose by the larval and adult stages of the susceptible parasites, and depletes their glycogen stores. Degenerative changes in the endoplasmic reticulum, the mitochondria of the germinal layer, and the subsequent release of lysosomes result in decreased production of adenosine triphosphate (ATP), which is the energy required for the survival of the helminth. Due to diminished energy production, the parasite is immobilized and eventually dies.","Pharmacodynamics":"Mebendazole is a (synthetic) broad-spectrum anthelmintic. The principal mode of action for Mebendazole is by its inhibitory effect on tubulin polymerization which results in the loss of cytoplasmic microtubules.","Absorption":"Poorly absorbed (approximately 5 to 10%) from gastrointestinal tract. Fatty food increases absorption.","Interactions":[{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB00252"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00644","Name":"Gonadorelin","DrugType":"small molecule","HalfLife":"Very short, initial, 2 to 10 minutes; terminal, 10 to 40 minutes","Description":"Gonadorelin is another name for gonadotropin-releasing hormone (GnRH). It is a synthetic decapeptide prepared using solid phase peptide synthesis. GnRH is responsible for the release of follicle stimulating hormone and leutinizing hormone from the anterior pitutitary.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For evaluating the functional capacity and response of the gonadotropes of the anterior pituitary also for evaluating residual gonadotropic function of the pituitary following removal of a pituitary tumor by surgery and/or irradiation.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e\u003e3000 mg/kg (rat, oral)","MechanismOfAction":"Systemic - Like naturally occurring gonadotropin-releasing hormone (GnRH), gonadorelin primarily stimulates the synthesis and release of luteinizing hormone (LH) from the anterior pituitary gland. Follicle-stimulating hormone (FSH) production and release is also increased by gonadorelin, but to a lesser degree. In prepubertal females and some gonadal function disorders, the FSH response may be greater than the LH response. For the treatment of amenorrhea, delayed puberty, and infertility the administration of gonadorelin is used to simulate the physiologic release of GnRH from the hypothalamus in treatment of delayed puberty, treatment of infertility caused by hypogonadotropic hypogonadism, and induction of ovulation in those women with hypothalamic amenorrhea. This results in increased levels of pituitary gonadotropins LH and FSH, which subsequently stimulate the gonads to produce reproductive steroids.","Pharmacodynamics":"Gonadorelin is responsible for the release of follicle stimulating hormone and leutinizing hormone from the anterior pitutitary. In the pituitary GnRH stimulates synthesis and release of FSH and LH, a process that is controlled by the frequency and amplitude of GnRH pulses, as well as the feedback of androgens and estrogens. The pulsatility of GnRH secretion has been seen in all vertebrates, and it is necessary to ensure a correct reproductive function. Thus a single hormone, GnRH, controls a complex process of follicular growth, ovulation, and corpus luteum maintenance in the female, and spermatogenesis in the male. Its short half life requires infusion pumps for its clinical use","Absorption":"Rapidly absorbed when injected","Interactions":null,"Salts":[{"ID":"DBSALT000983","Name":"Gonadorelin diacetate tetrahydrate"},{"ID":"DBSALT000982","Name":"Gonadorelin hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00645","Name":"Dyclonine","DrugType":"small molecule","HalfLife":"Approximately 30 to 60 minutes.","Description":"Dyclonine is an oral anaesthetic found in Sucrets, an over the counter throat lozenge. It is also found in some varieties of the Cepacol sore throat spray.","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Used to provide topical anesthesia of accessible mucous membranes prior to examination, endoscopy or instrumentation, or other procedures involving the esophagus, larynx, mouth, pharynx or throat, respiratory tract or trachea, urinary tract, or vagina. Also used to suppress the gag reflex and/or other laryngeal and esophageal reflexes to facilitate dental examination or procedures (including oral surgery), endoscopy, or intubation. Also used for relief of canker sores, cold sores or fever blister.","Toxicity":"Symptoms of overdose include cardiovascular system depression, CNS toxicity, and methemoglobinemia.","MechanismOfAction":"Local anesthetics block both the initiation and conduction of nerve impulses by decreasing the neuronal membrane's permeability to sodium ions. This reversibly stabilizes the membrane and inhibits depolarization, resulting in the failure of a propagated action potential and subsequent conduction blockade.","Pharmacodynamics":"Dyclonine is an oral anasthetic. If substantial quantities of local anesthetics are absorbed through the mucosa, actions on the central nervous system (CNS) may cause CNS stimulation and/or CNS depression. Actions on the cardiovascular system may cause depression of cardiac conduction and excitability and, with some of these agents, peripheral vasodilation.","Absorption":"Readily absorbed through mucous membranes into the systemic circulation. The rate of absorption is influenced by the vascularity or rate of blood flow at the site of application, the total dosage (concentration and volume) administered, and the duration of exposure. Absorption from mucous membranes of the throat or respiratory tract may be especially rapid.","Interactions":null,"Salts":[{"ID":"DBSALT000651","Name":"Dyclonine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00646","Name":"Nystatin","DrugType":"small molecule","HalfLife":"","Description":"Nystatin is a polyene antifungal drug to which many molds and yeasts are sensitive, including Candida spp. Nystatin has some toxicity associated with it when given intravenously, but it is not absorbed across intact skin or mucous membranes. It is considered a relatively safe drug for treating oral or gastrointestinal fungal infections.","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"For treatment of cutaneous or mucocutaneous mycotic infections caused by Candida species","Toxicity":"","MechanismOfAction":"Nystatin exerts its antifungal activity by binding to ergosterol found in fungal cell membranes. Binding to ergosterol causes the formation of pores in the membrane. Potassium and other cellular constituents leak from the pores causing cell death. ","Pharmacodynamics":"Nystatin is an antibiotic which is both fungistatic and fungicidal in vitro against a wide variety of yeasts and yeast-like fungi, including \u003ci\u003eCandida albicans\u003c/i\u003e, \u003ci\u003eC. parapsilosis\u003c/i\u003e, \u003ci\u003eC. tropicalis\u003c/i\u003e, \u003ci\u003eC. guilliermondi\u003c/i\u003e, \u003ci\u003eC. pseudotropicalis\u003c/i\u003e, \u003ci\u003eC. krusei\u003c/i\u003e, \u003ci\u003eTorulopsis glabrata\u003c/i\u003e, \u003ci\u003eTricophyton rubrum\u003c/i\u003e, \u003ci\u003eT. mentagrophytes\u003c/i\u003e. Nystatin acts by binding to sterols in the cell membrane of susceptible species resulting in a change in membrane permeability and the subsequent leakage of intracellular components. On repeated subculturing with increasing levels of nystatin, \u003ci\u003eCandida albicans\u003c/i\u003e does not develop resistance to nystatin. Generally, resistance to nystatin does not develop during therapy. However, other species of Candida (\u003ci\u003eC. tropicalis\u003c/i\u003e, \u003ci\u003eC. guilliermondi\u003c/i\u003e, \u003ci\u003eC. krusei\u003c/i\u003e, and \u003ci\u003eC. stellatoides\u003c/i\u003e) become quite resistant on treatment with nystatin and simultaneously become cross resistant to amphotericin as well. This resistance is lost when the antibiotic is removed. Nystatin exhibits no appreciable activity against bacteria, protozoa, or viruses.","Absorption":"Nystatin is not absorbed from intact skin or mucous membrane.","Interactions":null,"Salts":[{"ID":"DBSALT001007","Name":"Nystatin dihydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00647","Name":"Dextropropoxyphene","DrugType":"small molecule","HalfLife":"6-12 hours","Description":"Dextropropoxyphene is an analgesic in the opioid category, patented (1955) and manufactured by Eli Lilly and Company. It is intended to treat mild pain and also has antitussive and local anaesthetic effects. The drug has been taken off the market in Europe and the US due to concerns of fatal overdoses and heart arrhythmias. An estimated 10 million patients have used these products.\r\n\r\nThe drug is often referred to as the general form, \"propoxyphene\", however only the dextro-isomer (dextropropoxyphene) has any analgesic effect. The levo-isomer appears to exhibit a very limited antitussive effect.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the relief of mild to moderate pain","Toxicity":"Coma, respiratory depression, circulatory collapse, and pulmonary edema. Seizures occur more frequently in patients with propoxyphene intoxication than in those with opiate intoxication. LD\u003csub\u003e50\u003c/sub\u003e=230mg/kg (orally in rat, Emerson)","MechanismOfAction":"Propoxyphene acts as a weak agonist at OP1, OP2, and OP3 opiate receptors within the central nervous system (CNS). Propoxyphene primarily affects OP3 receptors, which are coupled with G-protein receptors and function as modulators, both positive and negative, of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine, and noradrenaline is inhibited. Opioids such as propoxyphene also inhibit the release of vasopressin, somatostatin, insulin, and glucagon. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Propoxyphene, a synthetic opiate agonist, is structurally similar to methadone. Its general pharmacologic properties are those of the opiates as a group. The analgesic effect of propoxyphene is due to the d-isomer, dextropropoxyphene. It binds to the opiate receptors and leads to a decrease of the perception of pain stimuli. Propoxyphene possesses little to no antitussive activity and no antipyretic action.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB06274"},{"ID":"DB01125"},{"ID":"DB00289"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB00266"},{"ID":"DB00046"},{"ID":"DB00503"},{"ID":"DB00752"},{"ID":"DB00427"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000500","Name":"Dextropropoxyphene Hydrochloride"},{"ID":"DBSALT001000","Name":"Dextropropoxyphene Napsylate"}],"Groups":{"approved":true,"illicit":true,"withdrawn":true},"Pathways":[{"ID":"SMP00672","Drugs":["DB00368","DB00647","DB00988","DB01345","DB01373"]}]},{"ID":"DB00648","Name":"Mitotane","DrugType":"small molecule","HalfLife":"18-159 days","Description":"A derivative of the insecticide dichlorodiphenyldichloroethane that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For treatment of inoperable adrenocortical tumours; Cushing's syndrome","Toxicity":"","MechanismOfAction":"Its biochemical mechanism of action is unknown, although data are available to suggest that the drug modifies the peripheral metabolism of steroids as well as directly suppressing the adrenal cortex.","Pharmacodynamics":"Mitotane is an oral chemotherapeutic agent indicated in the treatment of inoperable adrenal cortical carcinoma of both functional and nonfunctional types. Mitotane can best be described as an adrenal cytotoxic agent, although it can cause adrenal inhibition, apparently without cellular destruction. The administration of Mitotane alters the extra-adrenal metabolism of cortisol in man; leading to a reduction in measurable 17-hydroxy corticosteroids, even though plasma levels of corticosteroids do not fall. The drug apparently causes increased formation of 6-B-hydroxyl cortisol.","Absorption":"About 40% oral Lysodren is absorbed","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00421"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00649","Name":"Stavudine","DrugType":"small molecule","HalfLife":"0.8-1.5 hours (in adults)","Description":"A dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of human immunovirus (HIV) infections.","Toxicity":"Side effects include peripheral neuropathy tingling, burning, numbness, or pain in the hands or feet), fatal lactic acidosis has been reported in patients treated with stavudine (ZERIT) in combination with other antiretroviral agents, severe liver enlargement, inflammation (pain and swelling) of the liver, and liver failure.","MechanismOfAction":"Stavudine inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA.","Pharmacodynamics":"Stavudine is a nucleoside reverse transcriptase inhibitor (NRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Stavudine is phosphorylated to active metabolites that compete for incorporation into viral DNA. They inhibit the HIV reverse transcriptase enzyme competitively and act as a chain terminator of DNA synthesis. The lack of a 3'-OH group in the incorporated nucleoside analogue prevents the formation of the 5' to 3' phosphodiester linkage essential for DNA chain elongation, and therefore, the viral DNA growth is terminated.","Absorption":"Following oral administration, stavudine is rapidly absorbed (bioavailability is 68-104%).","Interactions":[{"ID":"DB00495"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00745","Drugs":["DB00649"]}]},{"ID":"DB00650","Name":"Leucovorin","DrugType":"small molecule","HalfLife":"6.2 hours","Description":"The active metabolite of folic acid. Leucovorin is used principally as its calcium salt as an antidote to folic acid antagonists which block the conversion of folic acid to folinic acid. [PubChem]","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"For the treatment of osteosarcoma (after high dose methotrexate therapy). Used to diminish the toxicity and counteract the effects of impaired methotrexate elimination and of inadvertent overdosages of folic acid antagonists, and to treat megaloblastic anemias due to folic acid deficiency. Also used in combination with 5-fluorouracil to prolong survival in the palliative treatment of patients with advanced colorectal cancer.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e\u003e8000 mg/kg (orally in rats). Excessive amounts of leucovorin may nullify the chemotherapeutic effect of folic acid antagonists.","MechanismOfAction":"As leucovorin is a derivative of folic acid, it can be used to increase levels of folic acid under conditions favoring folic acid inhibition (following treatment of folic acid antagonists such as methotrexate). Leucovorin enhances the activity of fluorouracil by stabilizing the bond of the active metabolite (5-FdUMP) to the enzyme thymidylate synthetase.","Pharmacodynamics":"Leucovorin is one of several active, chemically reduced derivatives of folic acid. It is useful as an antidote to drugs which act as folic acid antagonists. Leucovorin is a mixture of the diastereoisomers of the 5-formyl derivative of tetrahydrofolic acid (THF). The biologically active compound of the mixture is the (-)-l-isomer, known as Citrovorum factor or (-)-folinic acid. Leucovorin does not require reduction by the enzyme dihydrofolate reductase in order to participate in reactions utilizing folates as a source of \u0026ldquo;one-carbon\u0026rdquo; moieties. Administration of leucovorin can counteract the therapeutic and toxic effects of folic acid antagonists such as methotrexate, which act by inhibiting dihydrofolate reductase. Leucovorin has also been used to enhance the activity of fluorouracil.","Absorption":"Following oral administration, leucovorin is rapidly absorbed. The apparent bioavailability of leucovorin was 97% for 25 mg, 75% for 50 mg, and 37% for 100 mg.","Interactions":[{"ID":"DB08898"},{"ID":"DB00440"}],"Salts":[{"ID":"DBSALT000342","Name":"Leucovorin calcium"},{"ID":"DBSALT000789","Name":"Leucovorin sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00053","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00543","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00724","Drugs":["DB00116","DB00142","DB00158","DB00650","DB01373"]},{"ID":"SMP00432","Drugs":["DB00116","DB00142","DB00158","DB00563","DB00650","DB01373"]}]},{"ID":"DB00651","Name":"Dyphylline","DrugType":"small molecule","HalfLife":"2 hours (range 1.8 - 2.1 hours)","Description":"A theophylline derivative with broncho- and vasodilator properties. It is used in the treatment of asthma, cardiac dyspnea, and bronchitis. [PubChem]","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For relief of acute bronchial asthma and for reversible bronchospasm associated with chronic bronchitis and emphysema.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1954 mg/kg (orally in mice)","MechanismOfAction":"The bronchodilatory action of dyphylline, as with other xanthines, is thought to be mediated through competitive inhibition of phosphodiesterase with a resulting increase in cyclic AMP producing relaxation of bronchial smooth muscle as well as antagonism of adenosine receptors.","Pharmacodynamics":"Dyphylline, a xanthine derivative, is a bronchodilator used for relief of acute bronchial asthma and for reversible bronchospasm associated with chronic bronchitis and emphysema. Dyphylline is a xanthine derivative with pharmacologic actions similar to theophylline and other members of this class of drugs. Its primary action is that of bronchodilation, but it also exhibits peripheral vasodilatory and other smooth muscle relaxant activity to a lesser degree.","Absorption":"","Interactions":[{"ID":"DB00787"},{"ID":"DB00640"},{"ID":"DB01558"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB01211"},{"ID":"DB00822"},{"ID":"DB00199"},{"ID":"DB00977"},{"ID":"DB00176"},{"ID":"DB01320"},{"ID":"DB00365"},{"ID":"DB00034"},{"ID":"DB00105"},{"ID":"DB00011"},{"ID":"DB00951"},{"ID":"DB01356"},{"ID":"DB00379"},{"ID":"DB01203"},{"ID":"DB01059"},{"ID":"DB00008"},{"ID":"DB00022"},{"ID":"DB00806"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00960"},{"ID":"DB00794"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB00231"},{"ID":"DB00857"},{"ID":"DB00208"},{"ID":"DB00373"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00652","Name":"Pentazocine","DrugType":"small molecule","HalfLife":"2 to 3 hours","Description":"The first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97)","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"For the relief of moderate to severe pain.","Toxicity":"","MechanismOfAction":"The preponderance of evidence suggests that pentazocine antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor.","Pharmacodynamics":"Pentazocine is a potent analgesic which when administered orally in a 50 mg dose appears equivalent in analgesic effect to 60 mg (1 grain) of codeine. Onset of significant analgesia usually occurs between 15 and 30 minutes after oral administration, and duration of action is usually three hours or longer. Onset and duration of action and the degree of pain relief are related both to dose and the severity of pretreatment pain. Pentazocine weakly antagonizes the analgesic effects of morphine and meperidine; in addition, it produces incomplete reversal of cardiovascular, respiratory, and behavioral depression induced by morphine and meperidine. Pentazocine has about 1/50 the antagonistic activity of nalorphine. It also has sedative activity.","Absorption":"Well absorbed from the gastro-intestinal tract.","Interactions":[{"ID":"DB06274"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT001009","Name":"Pentazocine Hydrochloride"},{"ID":"DBSALT001010","Name":"Pentazocine Lactate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00686","Drugs":["DB00368","DB00652","DB00988","DB01345","DB01373"]}]},{"ID":"DB00653","Name":"Magnesium Sulfate","DrugType":"small molecule","HalfLife":"43.2 hours (for newborns)","Description":"A small colorless crystal used as an anticonvulsant, a cathartic, and an electrolyte replenisher in the treatment of pre-eclampsia and eclampsia. It causes direct inhibition of action potentials in myometrial muscle cells. Excitation and contraction are uncoupled, which decreases the frequency and force of contractions. (From AMA Drug Evaluations Annual, 1992, p1083)","Classification":{"Description":"This compound belongs to the alkaline earth metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.","DirectParent":"Alkaline Earth Metal Sulfates","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Alkaline Earth Metal Oxoanionic Compounds","SubClass":"Alkaline Earth Metal Sulfates"},"Indication":"Used for immediate control of life-threatening convulsions in the treatment of severe toxemias (pre-eclampsia and eclampsia) of pregnancy and in the treatment of acute nephritis in children. Also indicated for replacement therapy in magnesium deficiency, especially in acute hypomagnesemia accompanied by signs of tetany similar to those of hypocalcemia. Also used in uterine tetany as a myometriat relaxant.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 1200 mg/kg (rat, subcutaneous). May be harmful if swallowed. May act as an irritant. Adverse reactions include hypotension, ECG changes, diarrhea, urinary retention, CNS depression and respiratory depression.","MechanismOfAction":"Magnesium is the second most plentiful cation of the intracellular fluids. It is essential for the activity of many enzyme systems and plays an important role with regard to neurochemical transmission and muscular excitability. Magnesium sulfate reduces striated muscle contractions and blocks peripheral neuromuscular transmission by reducing acetylcholine release at the myoneural junction. Additionally, Magnesium inhibits Ca\u003csup\u003e2+\u003c/sup\u003e influx through dihydropyridine-sensitive, voltage-dependent channels. This accounts for much of its relaxant action on vascular smooth muscle.","Pharmacodynamics":"Magnesium sulfate is a small colorless crystal used as an anticonvulsant, a cathartic, and an electrolyte replenisher in the treatment of pre-eclampsia and eclampsia. It causes direct inhibition of action potentials in myometrial muscle cells. Excitation and contraction are uncoupled, which decreases the frequency and force of contractions. Magnesium sulfate is gaining popularity as an initial treatment in the management of various dysrhythmias, particularly torsades de pointes, and dyrhythmias secondary to TCA overdose or digitalis toxicity.","Absorption":"","Interactions":[{"ID":"DB01072"},{"ID":"DB01551"},{"ID":"DB06210"},{"ID":"DB01133"},{"ID":"DB00427"},{"ID":"DB00685"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00654","Name":"Latanoprost","DrugType":"small molecule","HalfLife":"17 minutes","Description":"Latanoprost ophthalmic solution is a topical medication used for controlling the progression of glaucoma or ocular hypertension, by reducing intraocular pressure. It is a prostaglandin analogue that works by increasing the outflow of aqueous fluid from the eyes.\r\n\r\nIt is also known by the brand name of Xalatan manufactured by Pfizer.","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"For the reduction of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension.","Toxicity":"Symptoms of overdose include bloodshot eyes and eye irritation.","MechanismOfAction":"Latanoprost is a prostaglandin F2a analogue. Specifically, Latanoprost is a prostanoid selective FP receptor agonist that is believed to reduce the intraocular pressure (IOP) by increasing the outflow of aqueous humor. Studies in animals and man suggest that the main mechanism of action is increased uveoscleral outflow. Elevated IOP represents a major risk factor for glaucomatous field loss. The higher the level of IOP, the greater the likelihood of optic nerve damage and visual field loss.","Pharmacodynamics":"Latanoprost is an isopropyl ester prodrug which is inactive but which becomes active after hydrolysis to the acid from. Latanoprost opthalmic solution is a topical medication used for controlling the progression of glaucoma or ocular hypertension, by reducing intraocular pressure. It is a prostaglandin analogue that works by increasing the outflow of aqueous fluid from the eyes.","Absorption":"Latanoprost is well absorbed through the cornea where the isopropyl ester prodrug is hydrolyzed to the acid form. Peak concentration is reached 2 hrs after topical administration.","Interactions":[{"ID":"DB00905"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00655","Name":"Estrone","DrugType":"small molecule","HalfLife":"19 hours","Description":"Estrone, one of the major mammalian estrogens, is an aromatized C18 steroid with a 3-hydroxyl group and a 17-ketone. It is produced in vivo from androstenedione or from testosterone via estradiol. It is produced primarily in the ovaries, placenta, and in peripheral tissues (especially adipose tissue) through conversion of adrostenedione. Estrone may be further metabolized to 16-alpha-hydroxyestrone, which may be reduced to estriol by estradiol dehydrogenase.","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"For management of perimenopausal and postmenopausal symptoms.","Toxicity":"Symptoms of overdose include nausea and vomiting. Estrogen related side effects include nausea, breast tenderness, fluid retention and edema, headaches and/or migraines, chloasma and poor contact lens fit. Estrogen hormone deficiency is associated with breakthrough bleeding, hypomenorrhea, irritability, depression and menopausal symptoms. Withdrawal bleeds may occur in females.","MechanismOfAction":"Estrogens enter the cells of responsive tissues (e.g. female organs, breasts, hypothalamus, pituitary) where they interact with estrogen receptors. Hormone-bound estrogen receptors dimerize, translocate to the nucleus of cells and bind to estrogen response elements (ERE) of genes. Binding to ERE alters the transcription rate of affected genes. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) release from the anterior pituitary.","Pharmacodynamics":"Estrone, a synthetically prepared or naturally occurring steroidal estrogen obtained from pregnant equine urine, is the primary circulating estrogen after menopause. Estrone is naturally derived from the peripheral conversion of androstenedione by an aromatase enzyme found in adipose tissues and is converted to estradiol in peripheral tissues. The estrogenic potency of estrone is one third that of estradiol. Estropipate is piperazine-stabilized estrone sulfate. Estrone, and estropipate are used to treat abnormalities related to gonadotropin hormone dysfunction, vasomotor symptoms, atrophic vaginitis, and vulvar atrophy associated with menopause, and for the prevention of osteoporosis due to estrogen deficiency.","Absorption":"43%","Interactions":[{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00932"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00656","Name":"Trazodone","DrugType":"small molecule","HalfLife":"Undergoes biphasic elimination with an initial phase t\u003csub\u003e1/2 \u0026alpha;\u003c/sub\u003e of 3-6 hours and a terminal phase t\u003csub\u003e1/2 \u0026beta;\u003c/sub\u003e of 5-9 hours.","Description":"A serotonin uptake inhibitor that is used as an antidepressive agent. It has been shown to be effective in patients with major depressive disorders and other subsets of depressive disorders. It is generally more useful in depressive disorders associated with insomnia and anxiety. This drug does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. (From AMA Drug Evaluations Annual, 1994, p309)","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"For the treatment of depression.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=96mg/kg (i.v. in mice)","MechanismOfAction":"Trazodone binds at 5-HT2 receptor, it acts as a serotonin agonist at high doses and a serotonin antagonist at low doses. Like fluoxetine, trazodone's antidepressant activity likely results from blockage of serotonin reuptake by inhibiting serotonin reuptake pump at the presynaptic neuronal membrane. If used for long time periods, postsynaptic neuronal receptor binding sites may also be affected. The sedative effect of trazodone is likely the result of alpha-adrenergic blocking action and modest histamine blockade at H1 receptor. It weakly blocks presynaptic alpha2-adrenergic receptors and strongly inhibits postsynaptic alpha1 receptors. Trazodone does not affect the reuptake of norepinephrine or dopamine within the CNS.","Pharmacodynamics":"Trazodone is an antidepressant and hypnotic chemically unrelated to tricyclic, tetracyclic, or other known antidepressant agents. The mechanism of trazodone's antidepressant action in man is not fully understood. In animals, trazodone selectively inhibits serotonin uptake by brain synaptosomes and potentiates the behavioral changes induced by the serotonin precursor, 5-hydroxytryptophan. Cardiac conduction effects of trazodone in the anesthetized dog are qualitatively dissimilar and quantitatively less pronounced than those seen with tricyclic antidepressants. Trazodone is not a monoamine oxidase inhibitor and, unlike amphetamine-type drugs, does not stimulate the central nervous system. In man, trazodone is well absorbed after oral administration without selective localization in any tissue. Since the clearance of trazodone from the body is sufficiently variable, in some patients trazodone may accumulate in the plasma.","Absorption":"Rapidly and almost completely absorbed following oral administration. Food may decrease the rate and extent of absorption. ","Interactions":[{"ID":"DB00918"},{"ID":"DB00357"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00559"},{"ID":"DB01200"},{"ID":"DB00490"},{"ID":"DB00248"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB06695"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01234"},{"ID":"DB00514"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00625"},{"ID":"DB00216"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00998"},{"ID":"DB00614"},{"ID":"DB00674"},{"ID":"DB01381"},{"ID":"DB00502"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB01247"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB00281"},{"ID":"DB00601"},{"ID":"DB01356"},{"ID":"DB01601"},{"ID":"DB00934"},{"ID":"DB00353"},{"ID":"DB00916"},{"ID":"DB01110"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB00607"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB00622"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00776"},{"ID":"DB00715"},{"ID":"DB00312"},{"ID":"DB01186"},{"ID":"DB00454"},{"ID":"DB00780"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01263"},{"ID":"DB00794"},{"ID":"DB01168"},{"ID":"DB01069"},{"ID":"DB00344"},{"ID":"DB00908"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB00953"},{"ID":"DB00118"},{"ID":"DB01232"},{"ID":"DB01037"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB06268"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00759"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000344","Name":"Trazodone Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00657","Name":"Mecamylamine","DrugType":"small molecule","HalfLife":"","Description":"A nicotinic antagonist that is well absorbed from the gastrointestinal tract and crosses the blood-brain barrier. Mecamylamine has been used as a ganglionic blocker in treating hypertension, but, like most ganglionic blockers, is more often used now as a research tool. [PubChem]","Classification":{"Description":"This compound belongs to the bicyclic monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.","DirectParent":"Bicyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"For the treatment of moderately severe to severe essential hypertension and in uncomplicated cases of malignant hypertension","Toxicity":"","MechanismOfAction":"Mecamylamine is a ganglionic blocker which prevents stimulation of postsynaptic receptors by acetylcholine released from presynaptic nerve endings. The hypotensive effect of Mecamylamine is attributed to reduction in sympathetic tone, vasodilation, and reduced cardiac output, and is primarily postural.","Pharmacodynamics":"Mecamylamine is a potent, oral antihypertensive agent and ganglion blocker, and is a secondary amine. Mecamylamine is indicated for the management of moderately severe to severe essential hypertension and in uncomplicated cases of malignant hypertension. Mecamylamine reduces blood pressure in both normotensive and hypertensive individuals. A small oral dosage often produces a smooth and predictable reduction of blood pressure. Although this antihypertensive effect is predominantly orthostatic, the supine blood pressure is also significantly reduced. Mecamylamine crosses the blood-brain and placental barriers.","Absorption":"Mecamylamine is almost completely absorbed from the gastrointestinal tract","Interactions":null,"Salts":[{"ID":"DBSALT000652","Name":"Mecamylamine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00658","Name":"Sevelamer","DrugType":"small molecule","HalfLife":"","Description":"Sevelamer is a phosphate binding drug used to prevent hyperphosphataemia in patients with chronic renal failure. When taken with meals, sevelamer binds to dietary phosphate and prevents its absorption. It is marketed by Genzyme under the trade name Renagel.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the control of serum phosphorus in patients with Chronic Kidney Disease (CKD) on hemodialysis.","Toxicity":"Sevelamer has been given to normal healthy volunteers in doses of up to 14 grams per day for eight days with no adverse effects. Sevelamer has been given in average doses up to 13 grams per day to hemodialysis patients. There are no reported overdosages of sevelamer in patients. Since sevelamer is not absorbed, the risk of systemic toxicity is low.","MechanismOfAction":"Sevelamer prevents hyperphosphatemia by binding to dietary phosphate in the gut, preventing its absorption and thus decreasing serum parathyroid hormone levels.","Pharmacodynamics":"Patients with end-stage renal disease (ESRD) retain phosphorus and can develop hyperphosphatemia. High serum phosphorus can precipitate serum calcium resulting in ectopic calcification. When the product of serum calcium and phosphorus concentrations (Ca x P) exceeds 55 mg\u003csup\u003e2\u003c/sup\u003e/dL\u003csup\u003e2\u003c/sup\u003e, there is an increased risk that ectopic calcification will occur. Hyperphosphatemia plays a role in the development of secondary hyperparathyroidism in renal insufficiency. An increase in parathyroid hormone (PTH) levels is characteristic of patients with chronic renal failure. Increased levels of PTH can lead to osteitis fibrosa, a bone disease. A decrease in serum phosphorus may decrease serum PTH levels. Treatment of hyperphosphatemia includes reduction in dietary intake of phosphate, inhibition of intestinal phosphate absorption with phosphate binders, and removal of phosphate with dialysis. Sevelamer taken with meals has been shown to decrease serum phosphorus concentrations in patients with ESRD who are on hemodialysis. \u003ci\u003eIn vitro\u003c/i\u003e studies have shown that the capsule and tablet formulations bind phosphate to a similar extent. Sevelamer treatment also results in a lowering of low-density lipoprotein (LDL) and total serum cholesterol levels.","Absorption":"Not absorbed following oral administration, however no absorption studies have been performed in patients with renal disease.","Interactions":[{"ID":"DB00537"},{"ID":"DB00091"},{"ID":"DB00685"}],"Salts":[{"ID":"DBSALT001006","Name":"sevelamer carbonate"},{"ID":"DBSALT001005","Name":"sevelamer hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00659","Name":"Acamprosate","DrugType":"small molecule","HalfLife":"20 - 33 hours","Description":"Acamprosate, also known by the brand name Campral\u0026trade;, is a drug used for treating alcohol dependence. Acamprosate is thought to stabilize the chemical balance in the brain that would otherwise be disrupted by alcoholism, possibly by blocking glutaminergic N-methyl-D-aspartate receptors, while gamma-aminobutyric acid type A receptors are activated. Reports indicate that acamprosate only works with a combination of attending support groups and abstinence from alcohol. Certain serious side effects include allergic reactions, irregular heartbeats, and low or high blood pressure, while less serious side effects include headaches, insomnia, and impotence. Acamprosate should not be taken by people with kidney problems or allergies to the drug.","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"For the maintenance of abstinence from alcohol in patients with alcohol dependence who are abstinent at treatment initiation","Toxicity":"In all reported cases of acute overdosage with acamprosate (total reported doses of up to 56 grams of acamprosate calcium), the only symptom that could be reasonably associated with acamprosate was diarrhea. ","MechanismOfAction":"The mechanism of action of acamprosate in maintenance of alcohol abstinence is not completely understood. Chronic alcohol exposure is hypothesized to alter the normal balance between neuronal excitation and inhibition. \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e studies in animals have provided evidence to suggest acamprosate may interact with glutamate and GABA neurotransmitter systems centrally, and has led to the hypothesis that acamprosate restores this balance. It seems to inhibit NMDA receptors while activating GABA receptors.","Pharmacodynamics":"Pharmacodynamic studies have shown that acamprosate calcium reduces alcohol intake in alcohol-dependent animals in a dose-dependent manner and that this effect appears to be specific to alcohol and the mechanisms of alcohol dependence. Acamprosate calcium has negligible observable central nervous system (CNS) activity in animals outside of its effects on alcohol dependence, exhibiting no anticonvulsant, antidepressant, or anxiolytic activity.","Absorption":"The absolute bioavailability of acamprosate after oral administration is about 11%. The food effect on absorption is not clinically significant and no adjustment of dose is necessary.","Interactions":null,"Salts":[{"ID":"DBSALT000002","Name":"Acamprosate Calcium "}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00660","Name":"Metaxalone","DrugType":"small molecule","HalfLife":"9.2 (+/- 4.8) hours","Description":"Metaxalone (marketed by King Pharmaceuticals under the brand name Skelaxin®) is a muscle relaxant used to relax muscles and relieve pain caused by strains, sprains, and other musculoskeletal conditions. Its exact mechanism of action is not known, but it may be due to general central nervous system depression. It is considered to be a moderately strong muscle relaxant, with relatively low incidence of side effects. Skelaxin comes in an 800 mg scored tablet. It previously came in both 400 mg and 800 mg tablets. The 400 mg tablet has been discontinued. Possible side effects include nausea, vomiting, drowsiness and CNS side effects such as dizziness, headache, and irritability.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the treatment of painful peripheral musculoskeletal conditions and spasticity from upper motor neuron syndromes.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=775mg/kg (Rat, oral); LD\u003csub\u003e50\u003c/sub\u003e=1690 mg/kg (Mouse, oral). When determining the LD\u003csub\u003e50\u003c/sub\u003e in rats and mice, progressive sedation, hypnosis and finally respiratoryfailure were noted as the dosage increased. In dogs, no LD\u003csub\u003e50\u003c/sub\u003e could be determined as the higher doses produced an emetic action in 15 to 30 minutes.","MechanismOfAction":"The mechanism of action of metaxalone in humans has not been established, but may be due to general central nervous system depression.","Pharmacodynamics":"Metaxalone is a skeletal muscle relaxant indicated as an adjunct to rest, physical therapy, and other measures for the relief of discomforts associated with acute, painful musculoskeletal conditions. The mode of action of this drug has not been clearly identified, but may be related to its sedative properties. Metaxalone does not directly relax tense skeletal muscles in man.","Absorption":"The absolute bioavailability of metaxalone from Skelaxin tablets is not known.","Interactions":[{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00661","Name":"Verapamil","DrugType":"small molecule","HalfLife":"2.8-7.4 hours","Description":"A calcium channel blocker that is a class IV anti-arrhythmia agent. [PubChem]","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment of hypertension, angina, and cluster headache prophylaxis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=8 mg/kg (i.v. in mice)","MechanismOfAction":"Verapamil inhibits voltage-dependent calcium channels. Specifically, its effect on L-type calcium channels in the heart causes a reduction in ionotropy and chronotropy, thuis reducing heart rate and blood pressure. Verapamil's mechanism of effect in cluster headache is thought to be linked to its calcium-channel blocker effect, but which channel subtypes are involved is presently not known.","Pharmacodynamics":"Verapamil is an L-type calcium channel blocker that also has antiarrythmic activity. The R-enantiomer is more effective at reducing blood pressure compared to the S-enantiomer. However, the S-enantiomer is 20 times more potent than the R-enantiomer at prolonging the PR interval in treating arrhythmias.","Absorption":"90%","Interactions":[{"ID":"DB01193"},{"ID":"DB09026"},{"ID":"DB01143"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB01351"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00335"},{"ID":"DB01076"},{"ID":"DB00612"},{"ID":"DB01558"},{"ID":"DB00490"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00564"},{"ID":"DB01136"},{"ID":"DB01211"},{"ID":"DB01394"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB06695"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00204"},{"ID":"DB04855"},{"ID":"DB00700"},{"ID":"DB00199"},{"ID":"DB00187"},{"ID":"DB01590"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB01218"},{"ID":"DB00619"},{"ID":"DB05039"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00598"},{"ID":"DB01356"},{"ID":"DB01601"},{"ID":"DB00227"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00264"},{"ID":"DB01110"},{"ID":"DB00683"},{"ID":"DB01203"},{"ID":"DB00607"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01580"},{"ID":"DB01303"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00960"},{"ID":"DB01263"},{"ID":"DB00457"},{"ID":"DB00794"},{"ID":"DB00571"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB00073"},{"ID":"DB01232"},{"ID":"DB00418"},{"ID":"DB06207"},{"ID":"DB00641"},{"ID":"DB00864"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00599"},{"ID":"DB00373"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB01030"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00374"},{"ID":"DB00897"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000534","Name":"Verapamil Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00375","Drugs":["DB00661","DB01345","DB01373"]}]},{"ID":"DB00662","Name":"Trimethobenzamide","DrugType":"small molecule","HalfLife":"The mean elimination half-life of trimethobenzamide is 7 to 9 hours.","Description":"Trimethobenzamide is a novel antiemetic which prevents nausea and vomiting in humans. Its actions are unclear but most likely involves the chemoreceptor trigger zone (CTZ). In dogs pretreated with trimethobenzamide HCl, the emetic response to apomorphine is inhibited, while little or no protection is afforded against emesis induced by intragastric copper sulfate.","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"For the treatment of postoperative nausea and vomiting and for nausea associated with gastroenteritis.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in mice is 1600 mg/kg.","MechanismOfAction":"The mechanism of action of trimethobenzamide as determined in animals is obscure, but may involve the chemoreceptor trigger zone (CTZ), an area in the medulla oblongata through which emetic impulses are conveyed to the vomiting center; direct impulses to the vomiting center apparently are not similarly inhibited.","Pharmacodynamics":"Trimethobenzamide is a novel antiemetic which prevents nausea and vomiting in humans. Its actions are unclear but most likely involves the chemoreceptor trigger zone (CTZ). In dogs pretreated with trimethobenzamide HCl, the emetic response to apomorphine is inhibited, while little or no protection is afforded against emesis induced by intragastric copper sulfate.","Absorption":"The relative bioavailability of the capsule formulation compared to the solution is 100%.","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00572"},{"ID":"DB00972"},{"ID":"DB00245"},{"ID":"DB00810"},{"ID":"DB01237"},{"ID":"DB00835"},{"ID":"DB00748"},{"ID":"DB01114"},{"ID":"DB00477"},{"ID":"DB00283"},{"ID":"DB00771"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB01176"},{"ID":"DB00405"},{"ID":"DB00804"},{"ID":"DB00985"},{"ID":"DB01075"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00366"},{"ID":"DB00470"},{"ID":"DB00450"},{"ID":"DB00950"},{"ID":"DB01148"},{"ID":"DB00875"},{"ID":"DB00623"},{"ID":"DB00674"},{"ID":"DB00986"},{"ID":"DB00502"},{"ID":"DB00725"},{"ID":"DB00557"},{"ID":"DB00424"},{"ID":"DB00458"},{"ID":"DB00332"},{"ID":"DB01247"},{"ID":"DB00920"},{"ID":"DB00455"},{"ID":"DB00408"},{"ID":"DB00934"},{"ID":"DB00737"},{"ID":"DB04843"},{"ID":"DB00933"},{"ID":"DB00940"},{"ID":"DB00462"},{"ID":"DB01171"},{"ID":"DB01618"},{"ID":"DB00486"},{"ID":"DB00540"},{"ID":"DB00334"},{"ID":"DB01173"},{"ID":"DB01062"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB01619"},{"ID":"DB01100"},{"ID":"DB06153"},{"ID":"DB00761"},{"ID":"DB01278"},{"ID":"DB00433"},{"ID":"DB00387"},{"ID":"DB01069"},{"ID":"DB00782"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00734"},{"ID":"DB00989"},{"ID":"DB00747"},{"ID":"DB00021"},{"ID":"DB01591"},{"ID":"DB00382"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB01409"},{"ID":"DB01036"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00376"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000501","Name":"Trimethobenzamide Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00663","Name":"Flumethasone Pivalate","DrugType":"small molecule","HalfLife":"","Description":"Flumethasone pivalate is a moderately potent difluorinated corticosteroid ester with anti-inflammatory, antipruritic and vasoconstrictive properties. As it is a privalate salt, its anti-inflammatory action is concentrated at the site of application. This local effect on diseased areas results in a prompt decrease in inflammation, exudation and itching.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the treatment of contact dermatitis, atopic dermatitis, exczema, psoriasis, diaper rash and other skin conditions","Toxicity":"Can lead to signs of irritation such as burning sensation, itching or skin rash at the site of application; hypersensitivity reactions.","MechanismOfAction":"Flumethasone is a glucocorticoid receptor agonist. This complex binds to the nucleus causing a variety of genetic activation and repressions. The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. The immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Flumethasone binds to plasma transcortin, and it becomes active when it is not bound to transcortin.","Pharmacodynamics":"Flumethasone pivalate is a moderately potent difluorinated corticosteroid ester with anti-inflammatory, antipruritic and vasoconstrictive properties. As it is a privalate salt, its anti-inflammatory action is concentrated at the site of application. This local effect on diseased areas results in a prompt decrease in inflammation, exudation and itching.","Absorption":"Minimal if applied topically","Interactions":null,"Salts":[{"ID":"DBSALT001004","Name":"Flumetasone Pivalate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00664","Name":"Sulfametopyrazine","DrugType":"small molecule","HalfLife":"","Description":"Long-acting plasma-bound sulfonamide used for respiratory and urinary tract infections and also for malaria. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of urinary tract infection and chronic bronchitis.","Toxicity":"","MechanismOfAction":"Sulfametopyrazine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. Para-aminobenzoic acid (PABA), a substrate of the enzyme is prevented from binding. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Pharmacodynamics":"Sulfametopyrazine is a sulfonamide antibiotic. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00665","Name":"Nilutamide","DrugType":"small molecule","HalfLife":"38.0-59.1 hours","Description":"Nilutamide is an antineoplastic hormonal agent primarily used in the treatment of prostate cancer. Nilutamide is a pure, nonsteroidal anti-androgen with affinity for androgen receptors (but not for progestogen, estrogen, or glucocorticoid receptors). Consequently, Nilutamide blocks the action of androgens of adrenal and testicular origin that stimulate the growth of normal and malignant prostatic tissue. Prostate cancer is mostly androgen-dependent and can be treated with surgical or chemical castration. To date, antiandrogen monotherapy has not consistently been shown to be equivalent to castration.","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"For use in combination with surgical castration for the treatment of metastatic prostate cancer involving distant lymph nodes, bone, or visceral organs (Stage D2).","Toxicity":"Symptoms of overdose include dizziness, general discomfort, headache, nausea, and vomiting.","MechanismOfAction":"Nilutamide competes with androgen for the binding of androgen receptors, consequently blocking the action of androgens of adrenal and testicular origin that stimulate the growth of normal and malignant prostatic tissue. This blockade of androgen receptors may result in growth arrest or transient tumor regression through inhibition of androgen-dependent DNA and protein synthesis.","Pharmacodynamics":"Nilutamide is an antineoplastic hormonal agent primarily used in the treatment of prostate cancer. Nilutamide is a pure, nonsteroidal anti-androgen with affinity for androgen receptors (but not for progestogen, estrogen, or glucocorticoid receptors). Consequently, Nilutamide blocks the action of androgens of adrenal and testicular origin that stimulate the growth of normal and malignant prostatic tissue. Prostate cancer is mostly androgen-dependent and can be treated with surgical or chemical castration. To date, antiandrogen monotherapy has not consistently been shown to be equivalent to castration. The relative binding affinity of nilutamide at the androgen receptor is less than that of bicalutamide, but similar to that of hydroxuflutamide.","Absorption":"Rapidly and completely absorbed, yielding high and persistent plasma concentrations.","Interactions":[{"ID":"DB00208"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00666","Name":"Nafarelin","DrugType":"small molecule","HalfLife":"3 hours","Description":"A potent synthetic agonist of gonadotropin-releasing hormone with 3-(2-naphthyl)-D-alanine substitution at residue 6. Nafarelin has been used in the treatments of central precocious puberty and endometriosis. [PubChem]","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of central precocious puberty (true precocious puberty, GnRH-dependent precocious precocity, complete isosexual precocity) in children of both sexes and for the treatment of endometriosis.","Toxicity":"In experimental animals, a single subcutaneous administration of up to 60 times the recommended human dose (on a \u0026micro;g/kg basis, not adjusted for bioavailability) had no adverse effects. At present, there is no clinical evidence of adverse effects following overdosage of GnRH analogs.","MechanismOfAction":"Like GnRH, initial or intermittent administration of nafarelin stimulates release of the gonadotropins luteinizing hormone (LH) and follicle-stimulating hormone (FSH) from the pituitary gland, which in turn transiently increases production of estradiol in females and testosterone in both sexes. However, with continuous daily administration, nafarelin continuously occupies the GnRH receptor, leading to a reversible down-regulation of the GnRH receptors in the pituitary gland and desensitization of the pituitary gonadotropes. This causes a significant and sustained decline in the production of LH and FSH. A decline in gonadotropin production and release causes a dramatic reversible decrease in synthesis of estradiol, progesterone, and testosterone by the ovaries or testes. Like normal endometrium, endometriotic implants contain estrogen receptors. Estrogen stimulates the growth of endometrium. Use of nafarelin induces anovulation and amenorrhea and decreases serum concentrations of estradiol to the postmenopausal range, which induces atrophy of endometriotic implants. However, nafarelin does not abolish the underlying pathophysiology of endometriosis. In children with central precocious puberty receiving nafarelin, serum LH, testosterone, and estradiol concentrations return to prepubertal levels. This results in the supression of secondary sexual characteristics and decrased rate of linear growth and skeletal maturation. Following disconinuation of nafarelin, the effects of the drug is reversed, meaning FSH and LH concentrations usually return to pretreatment levels.","Pharmacodynamics":"Nafarelin is a potent agonistic analog of gonadotropin-releasing hormone (GnRH). At the onset of administration, nafarelin stimulates the release of the pituitary gonadotropins, luteinizing hormone (LH) and follicle-stimulating hormone (FSH), resulting in a temporary increase of gonadal steroidogenesis. Repeated dosing abolishes the stimulatory effect on the pituitary gland. Twice daily administration leads to decreased secretion of gonadal steroids by about 4 weeks; consequently, tissues and functions that depend on gonadal steroids for their maintenance become quiescent. After nafarelin therapy is discontinued, pituitary and ovarian function normalize and estradiol serum concentrations increase to pretreatment levels. Recurrences of endometriosis are frequent after cessation of any hormonal therapy, or surgery that leaves the ovaries and/or uterus intact.","Absorption":"Rapidly absorbed into the systemic circulation after intranasal administration. Bioavailability from a 400 \u0026micro;g dose averaged 2.8% (range 1.2 to 5.6%). Not absorbed after oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000324","Name":"Nafarelin acetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00667","Name":"Histamine Phosphate","DrugType":"small molecule","HalfLife":"","Description":"Histamine stimulates gastric gland secretion, causing an increased secretion of gastric juice of high acidity. This action is probably due mainly to a direct action on parietal and chief gland cells.","Classification":{"Description":"This compound belongs to the organic phosphoric acids. These are organic compounds containing phosphoric acid.","DirectParent":"Organic Phosphoric Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organic Phosphoric Acids"},"Indication":"Histamine phosphate is indicated as a diagnostic aid for evaluation of gastric acid secretory function.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=807 mg/kg (mouse, oral). Side effects can lead to hypertension, hypotension, headache, dizziness, nervousness and tachycardia. Large overdoses can lead to seizures.","MechanismOfAction":"Histamine acts directly on the blood vessels to dilate arteries and capillaries; this action is mediated by both H 1- and H 2-receptors. Capillary dilatation may produce flushing of the face, a decrease in systemic blood pressure, and gastric gland secretion, causing an increased secretion of gastric juice of high acidity. Increased capillary permeability accompanies capillary dilatation, producing an outward passage of plasma protein and fluid into the extracellular spaces, an increase in lymph flow and protein content, and the formation of edema. In addition, histamine has a direct stimulant action on smooth muscle, producing contraction if H 1-receptors are activated, or mostly relaxation if H 2-receptors are activated. Also in humans, the stimulant effect of histamine may cause contraction of the intestinal muscle. However, little effect is noticed on the uterus, bladder, or gallbladder. Histamine has some stimulant effect on duodenal, salivary, pancreatic, bronchial, and lacrimal glands. Histamine also can bind to H3 and H4 receptors which are involved in the CNS/PNS neurotransmitter release and immune system chemotaxis, respectively.","Pharmacodynamics":"Histamine stimulates gastric gland secretion, causing an increased secretion of gastric juice of high acidity. This action is probably due mainly to a direct action on parietal and chief gland cells.","Absorption":"Readily absorbed after parenteral administration","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00668","Name":"Epinephrine","DrugType":"small molecule","HalfLife":"2 minutes","Description":"The active sympathomimetic hormone from the adrenal medulla in most species. It stimulates both the alpha- and beta- adrenergic systems, causes systemic vasoconstriction and gastrointestinal relaxation, stimulates the heart, and dilates bronchi and cerebral vessels. It is used in asthma and cardiac failure and to delay absorption of local anesthetics. [PubChem]","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"Used to treat anaphylaxis and sepsis. Also one of the body's main adrenergic neurotransmitters.","Toxicity":"Skin, LD\u003csub\u003e50\u003c/sub\u003e = 62 mg/kg (rat)","MechanismOfAction":"Epinephrine works via the stimulation of alpha and beta-1 adrenergic receptors, and a moderate activity at beta-2 adrenergic receptors.","Pharmacodynamics":"Epinephrine is indicated for intravenous injection in treatment of acute hypersensitivity, treatment of acute asthmatic attacks to relieve bronchospasm, and treatment and prophylaxis of cardiac arrest and attacks of transitory atrioventricular heart block with syncopal seizures (Stokes-Adams Syndrome). The actions of epinephrine resemble the effects of stimulation of adrenergic nerves. To a variable degree it acts on both alpha and beta receptor sites of sympathetic effector cells. Its most prominent actions are on the beta receptors of the heart, vascular and other smooth muscle. When given by rapid intravenous injection, it produces a rapid rise in blood pressure, mainly systolic, by (1) direct stimulation of cardiac muscle which increases the strength of ventricular contraction, (2) increasing the heart rate and (3) constriction of the arterioles in the skin, mucosa and splanchnic areas of the circulation. When given by slow intravenous injection, epinephrine usually produces only a moderate rise in systolic and a fall in diastolic pressure. Although some increase in pulse pressure occurs, there is usually no great elevation in mean blood pressure. Accordingly, the compensatory reflex mechanisms that come into play with a pronounced increase in blood pressure do not antagonize the direct cardiac actions of epinephrine as much as with catecholamines that have a predominant action on alpha receptors.","Absorption":"Usually this vasodilator effect of the drug on the circulation predominates so that the modest rise in systolic pressure which follows slow injection or absorption is mainly the result of direct cardiac stimulation and increase in cardiac output.","Interactions":[{"ID":"DB01193"},{"ID":"DB00386"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB01242"},{"ID":"DB01089"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01142"},{"ID":"DB00494"},{"ID":"DB01253"},{"ID":"DB00187"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB00046"},{"ID":"DB01247"},{"ID":"DB00598"},{"ID":"DB00601"},{"ID":"DB08815"},{"ID":"DB00968"},{"ID":"DB00353"},{"ID":"DB00264"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB01203"},{"ID":"DB00540"},{"ID":"DB01580"},{"ID":"DB00107"},{"ID":"DB01626"},{"ID":"DB01359"},{"ID":"DB00780"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00344"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00489"},{"ID":"DB00373"},{"ID":"DB00752"},{"ID":"DB00726"},{"ID":"DB00285"}],"Salts":[{"ID":"DBSALT000788","Name":"Epinephrine bitartrate"},{"ID":"DBSALT000384","Name":"Epinephrine chloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00669","Name":"Sumatriptan","DrugType":"small molecule","HalfLife":"2.5 hours","Description":"A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of migraine disorders. A transdermal patch version of sumatriptan is currently in phase I trials in the U.S. under the code name NP101 (NuPathe).","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"For the treatment of migraine attacks with or without aura.","Toxicity":"Symptoms of overdose include convulsions, tremor, paralysis, inactivity, ptosis, erythema of the extremities, abnormal respiration, cyanosis, ataxia, mydriasis, salivation, and lacrimation.","MechanismOfAction":"The 5-HT\u003csub\u003e1B\u003c/sub\u003e and 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors function as autoreceptors, which inhibit the firing of serotonin neurons and a reduction in the synthesis and release of serotonin upon activation. After sumatriptan binds to these receptors, adenylate cyclase activity is inhibited via regulatory G proteins, incrases intracellular calcium, and affects other intracellular events. This results in vasoconstriction and inhibtion of sensory nociceptive (trigeminal) nerve firing and vasoactive neuropeptide release.","Pharmacodynamics":"Sumatriptan, an antimigraine drug, is a selective agonist of vascular serotonin ((5-hydroxytryptamine; 5-HT) type 1-like receptors, likely the 5-HT\u003csub\u003e1D\u003c/sub\u003e and 5-HT\u003csub\u003e1B\u003c/sub\u003e subtypes. It has no significant affinity (as measured using standard radioligand binding assays) or pharmacological activity at 5-HT2, 5-HT3 receptor subtypes or at alpha1-, alpha2-, or beta-adrenergic; dopamine1; dopamine2; muscarinic; or benzodiazepine receptors.","Absorption":"Approximately 15% ","Interactions":[{"ID":"DB00215"},{"ID":"DB06700"},{"ID":"DB00320"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01247"},{"ID":"DB01356"},{"ID":"DB00247"},{"ID":"DB01149"},{"ID":"DB00715"},{"ID":"DB00780"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT001003","Name":"Sumatriptan Succinate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00670","Name":"Pirenzepine","DrugType":"small molecule","HalfLife":"","Description":"An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as cimetidine and ranitidine. It is generally well tolerated by patients. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of peptic ulcer, gastric ulcer, and duodenal ulcer.","Toxicity":"","MechanismOfAction":"Pirenzepine is a muscarinic receptor antagonist and binds to the muscarinic acetylcholine receptor. The muscarinic acetylcholine receptor mediates various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins.","Pharmacodynamics":"Pirenzepine belongs to a group of medications called antispasmodics/anticholinergics. These medications are used to relieve cramps or spasms of the stomach, intestines, and bladder. Pirenzepine is used to treat duodenal or stomach ulcers or intestine problems. It can be used together with antacids or other medicine in the treatment of peptic ulcer. It may also be used to prevent nausea, vomiting, and motion sickness.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001002","Name":"Pirenzepine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00246","Drugs":["DB00670","DB01345","DB01593"]}]},{"ID":"DB00671","Name":"Cefixime","DrugType":"small molecule","HalfLife":"3-4 hours (may range up to 9 hours). In severe renal impairment (5 to 20 mL/min creatinine clearance), the half-life increased to an average of 11.5 hours.","Description":"Cefixime, an antibiotic, is a third-generation cephalosporin like ceftriaxone and cefotaxime. Cefixime is highly stable in the presence of beta-lactamase enzymes. As a result, many organisms resistant to penicillins and some cephalosporins due to the presence of beta-lactamases, may be susceptible to cefixime. The antibacterial effect of cefixime results from inhibition of mucopeptide synthesis in the bacterial cell wall.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For use in the treatment of the following infections when caused by susceptible strains of the designated microorganisms: (1) uncomplicated urinary tract infections caused by \u003ci\u003eEscherichia coli\u003c/i\u003e and \u003ci\u003eProteus mirabilis\u003c/i\u003e, (2) otitis media caused by \u003ci\u003eHaemophilus influenzae\u003c/i\u003e (beta-lactamase positive and negative strains), \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e (most of which are beta-lactamase positive), and \u003ci\u003eS. pyogenes\u003c/i\u003e, (3) pharyngitis and tonsillitis caused by \u003ci\u003eS. pyogenes\u003c/i\u003e, (4) acute bronchitis and acute exacerbations of chronic bronchitis caused by \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e and \u003ci\u003eHaemophilus influenzae\u003c/i\u003e (beta-lactamase positive and negative strains), and (5) uncomplicated gonorrhea (cervical/urethral) caused by \u003ci\u003eNeisseria gonorrhoeae\u003c/i\u003e (penicillinase- and non-penicillinase-producing strains).","Toxicity":"Symptoms of overdose include blood in the urine, diarrhea, nausea, upper abdominal pain, and vomiting.","MechanismOfAction":"Like all beta-lactam antibiotics, cefixime binds to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, causing the inhibition of the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cefixime interferes with an autolysin inhibitor.","Pharmacodynamics":"Cefixime, an antibiotic, is a third-generation cephalosporin like ceftriaxone and cefotaxime. Cefixime is highly stable in the presence of beta-lactamase enzymes. As a result, many organisms resistant to penicillins and some cephalosporins due to the presence of beta-lactamases, may be susceptible to cefixime. The antibacterial effect of cefixime results from inhibition of mucopeptide synthesis in the bacterial cell wall.","Absorption":"About 40%-50% absorbed orally whether administered with or without food, however, time to maximal absorption is increased approximately 0.8 hours when administered with food.","Interactions":[{"ID":"DB01032"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00672","Name":"Chlorpropamide","DrugType":"small molecule","HalfLife":"Approximately 36 hours with interindividual variation ranging from 25-60 hours. Duration of effect persists for at least 24 hours. ","Description":"Chlorpropamide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating β cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic β cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Chlorpropamide is not recommended for the treatment of NIDDM as it increases blood pressure and the risk of retinopathy (UKPDS-33). Up to 80% of the single oral dose of chlorpropramide is metabolized, likely in the liver; 80-90% of the dose is excreted in urine as unchanged drug and metabolites. Renal and hepatic dysfunction may increase the risk of hypoglycemia. ","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For treatment of NIDDM in conjunction with diet and exercise. ","Toxicity":"IPN-RAT LD\u003csub\u003e50\u003c/sub\u003e 580 mg/kg","MechanismOfAction":"Sulfonylureas such as chlorpropamide bind to ATP-sensitive potassium channels on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Depolarization stimulates calcium ion influx through voltage-sensitive calcium channels, raising intracellular concentrations of calcium ions, which induces the secretion, or exocytosis, of insulin.","Pharmacodynamics":"Chlorpropamide, a second-generation sulfonylurea antidiabetic agent, is used with diet to lower blood glucose levels in patients with diabetes mellitus type II. Chlorpropamide is twice as potent as the related second-generation agent glipizide.","Absorption":"Readily absorbed from the GI tract. Peak plasma concentrations occur within 2-4 hours and the onset of action occurs within one hour. The maximal effect of chlorpropamide is seen 3-6 hours following oral administration. ","Interactions":[{"ID":"DB01193"},{"ID":"DB00945"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00446"},{"ID":"DB00636"},{"ID":"DB01119"},{"ID":"DB00266"},{"ID":"DB00187"},{"ID":"DB01296"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00812"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB01399"},{"ID":"DB00052"},{"ID":"DB00489"},{"ID":"DB01298"},{"ID":"DB00359"},{"ID":"DB01299"},{"ID":"DB01581"},{"ID":"DB01582"},{"ID":"DB00576"},{"ID":"DB01015"},{"ID":"DB00891"},{"ID":"DB00795"},{"ID":"DB00263"},{"ID":"DB00373"},{"ID":"DB01401"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00673","Name":"Aprepitant","DrugType":"small molecule","HalfLife":"9-13 hours","Description":"Aprepitant, an antiemetic, is a substance P/neurokinin 1 (NK1) receptor antagonist which, in combination with other antiemetic agents, is indicated for the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT3), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting (CI NV).","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"For the prevention of nausea and vomiting associated with highly emetogenic cancer chemotherapy, including high-dose cisplatin (in combination with other antiemetic agents).","Toxicity":"","MechanismOfAction":"Aprepitant has been shown in animal models to inhibit emesis induced by cytotoxic chemotherapeutic agents, such as cisplatin, via central actions. Animal and human Positron Emission Tomography (PET) studies with Aprepitant have shown that it crosses the blood brain barrier and occupies brain NK1 receptors. Animal and human studies show that Aprepitant augments the antiemetic activity of the 5-HT\u003csub\u003e3\u003c/sub\u003e-receptor antagonist ondansetron and the corticosteroid\r\nethasone and inhibits both the acute and delayed phases of cisplatin induced emesis.","Pharmacodynamics":"Aprepitant, an antiemetic, is a substance P/neurokinin 1 (NK1) receptor antagonist which, in combination with other antiemetic agents, is indicated for the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT\u003csub\u003e3\u003c/sub\u003e), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting (CI NV).","Absorption":"The mean absolute oral bioavailability of aprepitant is approximately 60 to 65%.","Interactions":[{"ID":"DB01418"},{"ID":"DB00404"},{"ID":"DB01125"},{"ID":"DB00637"},{"ID":"DB00564"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01285"},{"ID":"DB01234"},{"ID":"DB00266"},{"ID":"DB00343"},{"ID":"DB01248"},{"ID":"DB00199"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB00773"},{"ID":"DB01320"},{"ID":"DB01181"},{"ID":"DB00619"},{"ID":"DB00762"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00959"},{"ID":"DB00683"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB01229"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00342"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB01361"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00674","Name":"Galantamine","DrugType":"small molecule","HalfLife":"7 hours","Description":"A benzazepine derived from norbelladine. It is found in galanthus and other amaryllidaceae. Galantamine is a cholinesterase inhibitor that has been used to reverse the muscular effects of gallamine triethiodide and tubocurarine, and has been studied as a treatment for Alzheimer's disease and other central nervous system disorders. [PubChem]","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"For the treatment of mild to moderate dementia of the Alzheimer's type. Has also been investigated in patients with mild cognitive impairment who did not meet the diagnostic criteria for Alzheimer's disease.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=75 mg/kg (rat)","MechanismOfAction":"Galantamine is a phenanthrene alkaloid and a reversible, competitive acetylcholinesterase inhibitor. It is not structurally related to other acetylcholinesterase inhibitors. Galantamine's proposed mechanism of action involves the reversible inhibition of acetylcholinesterase, which prevents the hydrolysis of acetycholine, leading to an increased concentration of acetylcholine at cholinergic synapses. Galantamine also binds allosterically with nicotinic acetylcholine receptors and may possibly potentiate the action of agonists (such as acetylcholine) at these receptors.","Pharmacodynamics":"Galantamine is a parasympathomimetic, specifically, a reversible cholinesterase inhibitor. It is indicated for the treatment of mild to moderate dementia of the Alzheimer's type. An early pathophysiological feature of Alzheimer's disease that is associated with memory loss and cognitive deficits is a deficiency of acetylcholine as a result of selective loss of cholinergic neurons in the cerebral cortex, nucleus basalis, and hippocampus. Galantamine is postulated to exert its therapeutic effect by enhancing cholinergic function. This is accomplished by increasing the concentration of acetylcholine through reversible inhibition of its hydrolysis by acetylcholinesterase. If this proposed mechanism of action is correct, Galantamine's effect may lessen as the disease progresses and fewer cholinergic neurons remain functionally intact. There is no evidence that Galantamine alters the course of the underlying dementing process.","Absorption":"","Interactions":[{"ID":"DB01614"},{"ID":"DB01615"},{"ID":"DB01246"},{"ID":"DB01616"},{"ID":"DB00915"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00572"},{"ID":"DB00719"},{"ID":"DB00245"},{"ID":"DB00810"},{"ID":"DB00835"},{"ID":"DB00748"},{"ID":"DB01114"},{"ID":"DB00477"},{"ID":"DB01239"},{"ID":"DB00501"},{"ID":"DB00283"},{"ID":"DB00771"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB01176"},{"ID":"DB00924"},{"ID":"DB00434"},{"ID":"DB00496"},{"ID":"DB01151"},{"ID":"DB00405"},{"ID":"DB00804"},{"ID":"DB00985"},{"ID":"DB01075"},{"ID":"DB01081"},{"ID":"DB01146"},{"ID":"DB00280"},{"ID":"DB01142"},{"ID":"DB00366"},{"ID":"DB00392"},{"ID":"DB01148"},{"ID":"DB00875"},{"ID":"DB01437"},{"ID":"DB00986"},{"ID":"DB00557"},{"ID":"DB00424"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB01625"},{"ID":"DB01026"},{"ID":"DB00408"},{"ID":"DB00934"},{"ID":"DB00737"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00462"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB01618"},{"ID":"DB00540"},{"ID":"DB00334"},{"ID":"DB01173"},{"ID":"DB01062"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00454"},{"ID":"DB00780"},{"ID":"DB01619"},{"ID":"DB01100"},{"ID":"DB01621"},{"ID":"DB01035"},{"ID":"DB00433"},{"ID":"DB00387"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB00782"},{"ID":"DB01608"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00734"},{"ID":"DB00747"},{"ID":"DB01104"},{"ID":"DB01591"},{"ID":"DB01622"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00697"},{"ID":"DB01036"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00376"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00792"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000316","Name":"Galantamine hydrobromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00675","Name":"Tamoxifen","DrugType":"small molecule","HalfLife":"The decline in tamoxifen plasma concentrations is biphasic with a terminal elimination half-life of approximately 5 to 7 days. The estimated half-life of N-desmethyl tamoxifen is 14 days. ","Description":"One of the selective estrogen receptor modulators (SERM) with tissue-specific activities for the treatment and prevention of estrogen receptor positive breast cancer. Tamoxifen acts as an anti-estrogen (inhibiting agent) in the mammary tissue, but as an estrogen (stimulating agent) in cholesterol metabolism, bone density, and cell proliferation in the endometrium. [PubChem]","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Tamoxifen is indicated for the treatment of metastatic breast cancer in women and men and ductal carcinoma in Situ. ","Toxicity":"Signs observed at the highest doses following studies to determine LD\u003csub\u003e50\u003c/sub\u003e in animals were respiratory difficulties and convulsions.","MechanismOfAction":"Tamoxifen is a nonsteroidal agent that binds to estrogen receptors (ER), inducing a conformational change in the receptor. This results in a blockage or change in the expression of estrogen dependent genes. The prolonged binding of tamoxifen to the nuclear chromatin of these results in reduced DNA polymerase activity, impaired thymidine utilization, blockade of estradiol uptake, and decreased estrogen response. It is likely that tamoxifen interacts with other coactivators or corepressors in the tissue and binds with different estrogen receptors, ER-alpha or ER-beta, producing both estrogenic and antiestrogenic effects.","Pharmacodynamics":"Tamoxifen belongs to a class of drugs called selective estrogen receptor modulators (SERMs), which have both estrogenic and antiestrogenic effects. Tamoxifen has the same nucleus as diethylstilbestrol but possesses an additional side chain (\u003ci\u003etrans\u003c/i\u003e isomer) which accounts for its antiestrogenic activity.","Absorption":"When a single oral dose of 20 mg is given, the average peak plasma concentration (Cmax) is 40 ng/mL which occurred approximately 5 hours after dosing (Tmax). The Cmax of N-desmethyl tamoxifen is 15 ng/mL. Steady-state concentrations for tamoxifen is achieved in 4 weeks, while steady-state concentrations for N-desmethyl tamoxifen is achieved in 8 weeks. ","Interactions":[{"ID":"DB01418"},{"ID":"DB00357"},{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB01101"},{"ID":"DB00608"},{"ID":"DB00477"},{"ID":"DB00501"},{"ID":"DB01012"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB00907"},{"ID":"DB00872"},{"ID":"DB00496"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB01075"},{"ID":"DB00476"},{"ID":"DB00322"},{"ID":"DB00196"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB00712"},{"ID":"DB01319"},{"ID":"DB01241"},{"ID":"DB00502"},{"ID":"DB01050"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB00328"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00281"},{"ID":"DB01601"},{"ID":"DB06708"},{"ID":"DB00784"},{"ID":"DB00333"},{"ID":"DB00763"},{"ID":"DB01110"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB04868"},{"ID":"DB00715"},{"ID":"DB01186"},{"ID":"DB01132"},{"ID":"DB00554"},{"ID":"DB01263"},{"ID":"DB00205"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB06228"},{"ID":"DB01232"},{"ID":"DB01104"},{"ID":"DB06268"},{"ID":"DB00359"},{"ID":"DB00263"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00679"},{"ID":"DB00208"},{"ID":"DB01124"},{"ID":"DB01030"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000168","Name":"Tamoxifen Citrate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00606","Drugs":["DB00675","DB03435"]},{"ID":"SMP00471","Drugs":["DB00675","DB03435"]}]},{"ID":"DB00676","Name":"Benzyl Benzoate","DrugType":"small molecule","HalfLife":"","Description":"Benzyl benzoate is one of the older preparations used to treat scabies. Scabies is a skin infection caused by the mite sarcoptes scabiei. It is characterised by severe itching (particularly at night), red spots, and may lead to a secondary infection. Benzyl benzoate is lethal to this mite and so is useful in the treatment of scabies. It is also used to treat lice infestation of the head and body. Benzyl benzoate is not the treatment of choice for scabies due to its irritant properties.","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Used to kill lice and the mites responsible for the skin condition scabies.","Toxicity":"Oral, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = 1680 mg/kg; Skin, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = 4000 mg/kg. Symptoms of overdose include blister formation, crusting, itching, oozing, reddening, or scaling of skin; difficulty in urinating (dribbling); jerking movements; sudden loss of consciousness.","MechanismOfAction":"Benzyl benzoate exerts toxic effects on the nervous system of the parasite, resulting in its death. It is also toxic to mite ova, though its exact mechanism of action is unknown. In vitro, benzyl benzoate has been found to kill the Sarcoptes mite within 5 minutes.","Pharmacodynamics":"Benzyl benzoate is one of the older preparations used to treat scabies. Scabies is a skin infection caused by the mite sarcoptes scabiei. It is characterised by severe itching (particularly at night), red spots, and may lead to a secondary infection. Benzyl benzoate is lethal to this mite and so is useful in the treatment of scabies. It is also used to treat lice infestation of the head and body. Benzyl benzoate is not the treatment of choice for scabies due to its irritant properties.","Absorption":"No data are available on percutaneous absorption of benzyl benzoate. Some older studies have suggested some percutaneous absorption, however the amount was not quantified.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00677","Name":"Isoflurophate","DrugType":"small molecule","HalfLife":"","Description":"An irreversible cholinesterase inhibitor with actions similar to those of echothiophate. It is a powerful miotic used mainly in the treatment of glaucoma. Its vapor is highly toxic and it is recommended that only solutions in arachis oil be used therapeutically. (From Martindale, The Extra Pharmacopoeia, 29th ed, p1330)","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"For use in the eye to treat certain types of glaucoma and other eye conditions, such as accommodative esotropia.","Toxicity":"Signs of overdose include increased sweating, loss of bladder control, muscle weakness, nausea, vomiting, diarrhea, or stomach cramps or pain, shortness of breath, tightness in chest, or wheezing, slow or irregular heartbeat, unusual tiredness or weakness, watering of mouth.","MechanismOfAction":"The mechanism of isoflurophate's action involves the irreversible inhibition of cholinesterase.","Pharmacodynamics":"Isoflurophate is used as ocular drops in the treatment of chronic glaucoma. Isoflurophate is an organophosphorus compound that acts as an irreversible cholinesterase inhibitor. As such, it displays parasympathomimetic effects. Isoflurophate is used in the eye to treat certain types of glaucoma and other eye conditions, such as accommodative esotropia. They may also be used in the diagnosis of certain eye conditions, such as accommodative esotropia. Isoflurophate damages the acetylcholinesterase enzyme and is therefore irreversible, however, pralidoxime can displace organophosphates such as isoflurophate from acetylcholinesterase, but only if administered before isoflurophate damages (alkylates) the enzyme.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00678","Name":"Losartan","DrugType":"small molecule","HalfLife":"The terminal t\u003csub\u003e1/2\u003c/sub\u003e of losartan is 2 hours. The active metabolite has a half-life of 6-9 hours. ","Description":"Losartan is an angiotensin-receptor blocker (ARB) that may be used alone or with other agents to treat hypertension. Losartan and its longer acting metabolite, E-3174, lower blood pressure by antagonizing the renin-angiotensin-aldosterone system (RAAS); they compete with angiotensin II for binding to the type-1 angiotensin II receptor (AT1) subtype and prevents the blood pressure increasing effects of angiotensin II. Unlike angiotensin-converting enzyme (ACE) inhibitors, ARBs do not have the adverse effect of dry cough. Losartan may be used to treat hypertension, isolated systolic hypertension, left ventricular hypertrophy and diabetic nephropathy. It may also be used as an alternative agent for the treatment of systolic dysfunction, myocardial infarction, coronary artery disease, and heart failure. ","Classification":{"Description":"This compound belongs to the biphenyltetrazoles and derivatives. These are organic compounds containing a biphenyl attached to a tetrazole. A carbon atom of the biphenyl moiety is boned to a carbon or the nitrogen atom of the tetrazole moiety.","DirectParent":"Biphenyltetrazoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Losartan may be also used as a second line agent in the treatment of congestive heart failure, systolic dysfunction, myocardial infarction and coronary artery disease in those intolerant of ACE inhibitors.","Toxicity":"Hypotension and tachycardia; Bradycardia could occur from parasympathetic (vagal) stimulation, LD\u003csub\u003e50\u003c/sub\u003e= 1000 mg/kg (orally in rat)","MechanismOfAction":"Losartan competitively inhibits the binding of angiotensin II to AT1 in many tissues including vascular smooth muscle and the adrenal glands. Losartan is metabolized to its active metabolite, E-3174, which is 10 to 40 times more potent than losartan and acts as a non-competitive AT1 antagonist. Inhibition of angiotensin II binding to AT1 inhibits its AT1-mediated vasoconstrictive and aldosterone-secreting effects and results in decreased vascular resistance and blood pressure. Losartan is 1,000 times more selective for AT1 than AT2. Inhibition of aldosterone secretion may increase sodium and water excretion while decreasing potassium excretion. Losartan is effective for reducing blood pressure and may be used to treat essential hypertension, left ventricular hypertrophy and diabetic nephropathy.","Pharmacodynamics":"Losartan is the first of a class of antihypertensive agents called angiotensin II receptor blockers (ARBs). Losartan and its longer acting active metabolite, E-3174, are specific and selective type-1 angiotensin II receptor (AT1) antagonists which block the blood pressure increasing effects angiotensin II via the renin-angiotensin-aldosterone system (RAAS). RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from granular cells of the juxtaglomerular apparatus in the kidneys. Renin cleaves circulating angiotensinogen to angiotensin I, which is cleaved by angiotensin converting enzyme (ACE) to angiotensin II. Angiotensin II increases blood pressure by increasing total peripheral resistance, increasing sodium and water reabsorption in the kidneys via aldosterone secretion, and altering cardiovascular structure. Angiotensin II binds to two receptors: AT1 and type-2 angiotensin II receptor (AT2). AT1 is a G-protein coupled receptor (GPCR) that mediates the vasoconstrictive and aldosterone-secreting effects of angiotensin II. Studies performed in recent years suggest that AT2 antagonizes AT1-mediated effects and directly affects long-term blood pressure control by inducing vasorelaxation and increasing urinary sodium excretion. Angiotensin receptor blockers (ARBs) are non-peptide competitive inhibitors of AT1. ARBs block the ability of angiotensin II to stimulate pressor and cell proliferative effects. Unlike ACE inhibitors, ARBs do not affect bradykinin-induced vasodilation. The overall effect of ARBs is a decrease in blood pressure.","Absorption":"Losartan is well absorbed and undergoes substantial first-pass metabolism; the systemic bioavailability of losartan is approximately 33%. Mean peak concentrations of losartan and its active metabolite are reached in 1 hour and in 3-4 hours, respectively. While maximum plasma concentrations of losartan and its active metabolite are approximately equal, the AUC of the metabolite is about 4 times as great as that of losartan. When given with a meal, absorption is slows down and Cmax decreases. ","Interactions":[{"ID":"DB00594"},{"ID":"DB01395"},{"ID":"DB00328"},{"ID":"DB00046"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB01369"},{"ID":"DB01045"},{"ID":"DB00421"},{"ID":"DB00684"},{"ID":"DB01124"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00755"},{"ID":"DB00384"}],"Salts":[{"ID":"DBSALT000112","Name":"Losartan Potassium "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00162","Drugs":["DB00678","DB01593"]}]},{"ID":"DB00679","Name":"Thioridazine","DrugType":"small molecule","HalfLife":"21-25 hours","Description":"A phenothiazine antipsychotic used in the management of psychoses, including schizophrenia, and in the control of severely disturbed or agitated behavior. It has little antiemetic activity. Thioridazine has a higher incidence of antimuscarinic effects, but a lower incidence of extrapyramidal symptoms, than chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p618)","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the treatment of schizophrenia and generalized anxiety disorder.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=956-1034 mg/kg (Orally in rats); Agitation, blurred vision, coma, confusion, constipation, difficulty breathing, dilated or constricted pupils, diminished flow of urine, dry mouth, dry skin, excessively high or low body temperature, extremely low blood pressure, fluid in the lungs, heart abnormalities, inability to urinate, intestinal blockage, nasal congestion, restlessness, sedation, seizures, shock","MechanismOfAction":"Thioridazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; blocks alpha-adrenergic effect, depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis.","Pharmacodynamics":"Thioridazine is a trifluoro-methyl phenothiazine derivative intended for the management of schizophrenia and other psychotic disorders. Thioridazine has not been shown effective in the management of behaviorial complications in patients with mental retardation.","Absorption":"60%","Interactions":[{"ID":"DB05812"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00182"},{"ID":"DB06697"},{"ID":"DB06216"},{"ID":"DB00637"},{"ID":"DB00289"},{"ID":"DB00865"},{"ID":"DB01053"},{"ID":"DB01158"},{"ID":"DB01200"},{"ID":"DB01156"},{"ID":"DB00608"},{"ID":"DB00477"},{"ID":"DB00604"},{"ID":"DB08865"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00343"},{"ID":"DB01075"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00199"},{"ID":"DB00574"},{"ID":"DB01195"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB00458"},{"ID":"DB01321"},{"ID":"DB01137"},{"ID":"DB04871"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00579"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB08893"},{"ID":"DB00715"},{"ID":"DB00738"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB01100"},{"ID":"DB00960"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB00989"},{"ID":"DB06144"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB06145"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB01623"},{"ID":"DB00208"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB06684"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000503","Name":"Thioridazine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00680","Name":"Moricizine","DrugType":"small molecule","HalfLife":"2 hours (range 1.5-3.5 hours).","Description":"An antiarrhythmia agent used primarily for ventricular rhythm disturbances. [PubChem]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Used to treat irregular heartbeats (arrhythmias) and maintain a normal heart rate.","Toxicity":"Symptoms of overdose include vomiting, unconsciousness, and severe low blood pressure.","MechanismOfAction":"Moricizine works by inhibiting the rapid inward sodium current across myocardial cell membranes.","Pharmacodynamics":"Moricizine is used to treat irregular heartbeats (arrhythmias) and to maintain a normal heart rate. It acts on the heart muscle to improve the heart's rhythm. Moricizine has potent local anesthetic activity and membrane stabilizing effect. Decreases excitability, conduction velocity, and automaticity as a result of slowed atrioventricular (AV) nodal and His-Purkinje conduction. Decreases the action potential duration (APD) in Purkinje fibers; also decreases the effective refractory period (ERP) but to a lesser extent than the APD, so the ERP/APD ratio is increased. Decreases the maxiumum rate of Phase 0 depolarization (V max ), but does not affect action potential amplitude or maximum diastolic potential. Does not affect atrial, AV nodal, or left ventricular refractory periods and has minimal effect on ventricular repolarization (evidenced by the overall decrease in JT interval). Has no effect on sinoatrial (SA) nodal or intra-atrial conduction and only minimal effect on sinus cycle length and sinus node recovery time. In the Vaughan Williams classification of antiarrhythmics, moricizine is considered to be a class I agent. It has properties of class IA, IB, and IC agents but does not clearly belong to any of the three subclasses. It has less effect on the slope of phase 0 and a greater effect on action potential duration and effective refractory period than class IC agents.","Absorption":"Well absorbed, absorption is complete within 2 to 3 hours. Significant first-pass metabolism results in an absolute bioavailability of approximately 38%. Administration within 30 minutes after a meal slows the rate, but does not affect the extent of absorption, although peak plasma concentrations are reduced.","Interactions":[{"ID":"DB00343"},{"ID":"DB00243"},{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000994","Name":"moricizine hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00681","Name":"Amphotericin B","DrugType":"small molecule","HalfLife":"An elimination half-life of approximately 15 days follows an initial plasma half-life of about 24 hours.","Description":"Amphotericin B shows a high order of in vitro activity against many species of fungi. Histoplasma capsulatum, Coccidioides immitis, Candida species, Blastomyces dermatitidis, Rhodotorula, Cryptococcus neoformans, Sporothrix schenckii, Mucor mucedo, and Aspergillus fumigatus are all inhibited by concentrations of amphotericin B ranging from 0.03 to 1.0 mcg/mL in vitro. While Candida albicans is generally quite susceptible to amphotericin B, non-albicans species may be less susceptible. Pseudallescheria boydii and Fusarium sp. are often resistant to amphotericin B. The antibiotic is without effect on bacteria, rickettsiae, and viruses.","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"Used to treat potentially life threatening fungal infections.","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = \u003e5 gm/kg. Amphotericin B overdoses can result in cardio-respiratory arrest.","MechanismOfAction":"Amphotericin B is fungistatic or fungicidal depending on the concentration obtained in body fluids and the susceptibility of the fungus. The drug acts by binding to sterols (ergosterol) in the cell membrane of susceptible fungi. This creates a transmembrane channel, and the resultant change in membrane permeability allowing leakage of intracellular components. Ergosterol, the principal sterol in the fungal cytoplasmic membrane, is the target site of action of amphotericin B and the azoles. Amphotericin B, a polyene, binds irreversibly to ergosterol, resulting in disruption of membrane integrity and ultimately cell death.","Pharmacodynamics":"Amphotericin B shows a high order of \u003ci\u003ein vitro\u003c/i\u003e activity against many species of fungi. \u003ci\u003eHistoplasma capsulatum\u003c/i\u003e, \u003ci\u003eCoccidioides immitis\u003c/i\u003e, \u003ci\u003eCandida species\u003c/i\u003e, \u003ci\u003eBlastomyces dermatitidis\u003c/i\u003e, \u003ci\u003eRhodotorula\u003c/i\u003e, \u003ci\u003eCryptococcus neoformans\u003c/i\u003e, \u003ci\u003eSporothrix schenckii\u003c/i\u003e, \u003ci\u003eMucor mucedo\u003c/i\u003e, and \u003ci\u003eAspergillus fumigatus\u003c/i\u003e are all inhibited by concentrations of amphotericin B ranging from 0.03 to 1.0 mcg/mL \u003ci\u003ein vitro\u003c/i\u003e. While \u003ci\u003eCandida albicans\u003c/i\u003e is generally quite susceptible to amphotericin B, non-\u003ci\u003ealbicans\u003c/i\u003e species may be less susceptible. \u003ci\u003ePseudallescheria boydii\u003c/i\u003e and \u003ci\u003eFusarium\u003c/i\u003e sp. are often resistant to amphotericin B. The antibiotic is without effect on bacteria, rickettsiae, and viruses.","Absorption":"Bioavailability is 100% for intravenous infusion.","Interactions":[{"ID":"DB01111"},{"ID":"DB00091"},{"ID":"DB00864"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000993","Name":"Amphotericin B Cholesteryl Sulfate Complex "}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00682","Name":"Warfarin","DrugType":"small molecule","HalfLife":"R-warfarin t\u003csub\u003e1/2\u003c/sub\u003e=37-89 hours; S-warfarin t\u003csub\u003e1/2\u003c/sub\u003e=21-43 hours. ","Description":"Warfarin is an anticoagulant drug normally used to prevent blood clot formation as well as migration. Although originally marketed as a pesticide (d-Con, Rodex, among others), Warfarin has since become the most frequently prescribed oral anticoagulant in North America. Warfarin has several properties that should be noted when used medicinally, including its ability to cross the placental barrier during pregnancy which can result in fetal bleeding, spontaneous abortion, preterm birth, stillbirth, and neonatal death. Additional adverse effects such as necrosis, purple toe syndrome, osteoporosis, valve and artery calcification, and drug interactions have also been documented with warfarin use. Warfarin does not actually affect blood viscosity, rather, it inhibits vitamin-k dependent synthesis of biologically active forms of various clotting factors in addition to several regulatory factors. ","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"For the treatment of retinal vascular occlusion, pulmonary embolism, cardiomyopathy, atrial fibrillation and flutter, cerebral embolism, transient cerebral ischaemia, arterial embolism and thrombosis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=374 (orally in mice)","MechanismOfAction":"Warfarin inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decreased prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots.","Pharmacodynamics":"Warfarin, a coumarin anticoagulant, is a racemic mixture of two active isomers. It is used in the prevention and treatment of thromboembolic disease including venous thrombosis, thromboembolism, and pulmonary embolism as well as for the prevention of ischemic stroke in patients with atrial fibrillation (AF).","Absorption":"Rapidly absorbed following oral administration with considerable interindividual variations. Also absorbed percutaneously. ","Interactions":[{"ID":"DB00316"},{"ID":"DB00945"},{"ID":"DB00437"},{"ID":"DB00357"},{"ID":"DB00233"},{"ID":"DB01118"},{"ID":"DB01351"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB06237"},{"ID":"DB00993"},{"ID":"DB00207"},{"ID":"DB00443"},{"ID":"DB01393"},{"ID":"DB00559"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01101"},{"ID":"DB00564"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB01212"},{"ID":"DB00482"},{"ID":"DB01432"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB00636"},{"ID":"DB00758"},{"ID":"DB00375"},{"ID":"DB00531"},{"ID":"DB01406"},{"ID":"DB00705"},{"ID":"DB00618"},{"ID":"DB00304"},{"ID":"DB01234"},{"ID":"DB00647"},{"ID":"DB00509"},{"ID":"DB00586"},{"ID":"DB00485"},{"ID":"DB00861"},{"ID":"DB00822"},{"ID":"DB00254"},{"ID":"DB04855"},{"ID":"DB01395"},{"ID":"DB00055"},{"ID":"DB00199"},{"ID":"DB00189"},{"ID":"DB00977"},{"ID":"DB00823"},{"ID":"DB00749"},{"ID":"DB00294"},{"ID":"DB01628"},{"ID":"DB00973"},{"ID":"DB06223"},{"ID":"DB01039"},{"ID":"DB00573"},{"ID":"DB00322"},{"ID":"DB00196"},{"ID":"DB00687"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB01185"},{"ID":"DB00712"},{"ID":"DB01095"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB06705"},{"ID":"DB00317"},{"ID":"DB00441"},{"ID":"DB01241"},{"ID":"DB01381"},{"ID":"DB01404"},{"ID":"DB00040"},{"ID":"DB01296"},{"ID":"DB01437"},{"ID":"DB00400"},{"ID":"DB04865"},{"ID":"DB00741"},{"ID":"DB01050"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00328"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB01097"},{"ID":"DB00848"},{"ID":"DB01137"},{"ID":"DB00367"},{"ID":"DB00451"},{"ID":"DB00279"},{"ID":"DB01583"},{"ID":"DB08827"},{"ID":"DB00227"},{"ID":"DB01283"},{"ID":"DB00939"},{"ID":"DB00603"},{"ID":"DB00784"},{"ID":"DB00358"},{"ID":"DB00814"},{"ID":"DB01033"},{"ID":"DB01357"},{"ID":"DB00763"},{"ID":"DB00474"},{"ID":"DB00916"},{"ID":"DB01110"},{"ID":"DB01017"},{"ID":"DB08893"},{"ID":"DB00648"},{"ID":"DB00218"},{"ID":"DB00461"},{"ID":"DB00607"},{"ID":"DB00779"},{"ID":"DB08804"},{"ID":"DB00984"},{"ID":"DB00788"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB00622"},{"ID":"DB00717"},{"ID":"DB01059"},{"ID":"DB00957"},{"ID":"DB01165"},{"ID":"DB01083"},{"ID":"DB00621"},{"ID":"DB00991"},{"ID":"DB06412"},{"ID":"DB03585"},{"ID":"DB00715"},{"ID":"DB00312"},{"ID":"DB00806"},{"ID":"DB01174"},{"ID":"DB00812"},{"ID":"DB00252"},{"ID":"DB01022"},{"ID":"DB00554"},{"ID":"DB06209"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB01182"},{"ID":"DB00550"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00863"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00118"},{"ID":"DB01398"},{"ID":"DB00418"},{"ID":"DB06268"},{"ID":"DB01323"},{"ID":"DB00364"},{"ID":"DB00359"},{"ID":"DB01015"},{"ID":"DB01138"},{"ID":"DB00263"},{"ID":"DB00605"},{"ID":"DB00675"},{"ID":"DB00976"},{"ID":"DB00469"},{"ID":"DB00894"},{"ID":"DB00624"},{"ID":"DB01420"},{"ID":"DB00759"},{"ID":"DB00599"},{"ID":"DB01600"},{"ID":"DB00208"},{"ID":"DB00560"},{"ID":"DB01124"},{"ID":"DB00500"},{"ID":"DB05275"},{"ID":"DB00374"},{"ID":"DB00620"},{"ID":"DB08814"},{"ID":"DB01157"},{"ID":"DB01401"},{"ID":"DB08881"},{"ID":"DB06684"}],"Salts":[{"ID":"DBSALT000278","Name":"Warfarin sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00268","Drugs":["DB00682","DB01373"]}]},{"ID":"DB00683","Name":"Midazolam","DrugType":"small molecule","HalfLife":"Intravenous, healthy adults = 1.8 to 6.4 hours (mean of 3 hours)","Description":"A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH. [PubChem] Midazolam is a schedule IV drug in the United States.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"The midazolam injection is indicated for preoperative sedation/anziolysis/amnesia. It is also an agent for sedation/anziolysis/amnesia prior to or during diagnostic, therapeutic, or endoscopic procedures. Midazolam can also be given intravenously for induction of general anaesthesia. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=825 mg/kg (Orally in rats). Signs of overdose include sedation, somnolence, confusion, impaired coordination, diminished reflexes, coma, and deleterious effects on vital signs.","MechanismOfAction":"It is thought that the actions of benzodiazepines such as midazolam are mediated through the inhibitory neurotransmitter gamma-aminobutyric acid (GABA), which is one of the major inhibitory neurotransmitters in the brain. Benzodiazepines increase the activity of GABA, thereby producing a calming effect, relaxing skeletal muscles, and inducing sleep. Benzodiazepines bind to the benzodiazepine site on GABA-A receptors, which potentiates the effects of GABA by increasing the frequency of chloride channel opening.","Pharmacodynamics":"Midazolam is a short-acting benzodiazepine central nervous system (CNS) depressant. Pharmacodynamic properties of midazolam and its metabolites, which are similar to those of other benzodiazepines, include sedative, anxiolytic, amnesic and hypnotic activities. Benzodiazepine pharmacologic effects appear to result from reversible interactions with the (gamma)-amino butyric acid (GABA) benzodiazepine receptor in the CNS, the major inhibitory neurotransmitter in the central nervous system. The action of midazolam is readily reversed by the benzodiazepine receptor antagonist, flumazenil.","Absorption":"Rapidly absorbed after oral administration. The absolute bioavailability of the midazolam syrup in pediatric patients is about 36%. The absolute bioavailability, if given intramuscularly (IM), is greater than 90%. \r\nCmax, IM = 90 ng/mL;\r\nTmax, IM = 0.5 hours. \r\nFollowing IM administered, Cmax for midazolam and its 1-hydroxy metabolite were approxiately one-half of those achieved after intravenous injection. ","Interactions":[{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB08873"},{"ID":"DB05631"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB01211"},{"ID":"DB00349"},{"ID":"DB00363"},{"ID":"DB08865"},{"ID":"DB08865"},{"ID":"DB08912"},{"ID":"DB00705"},{"ID":"DB00343"},{"ID":"DB01248"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00252"},{"ID":"DB01369"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01323"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB08881"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000118","Name":"Midazolam Hydrochloride "}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00684","Name":"Tobramycin","DrugType":"small molecule","HalfLife":"The elimination half-life of tobramycin from serum is approximately 2 hours after intravenous (IV) administration.","Description":"An aminoglycoside, broad-spectrum antibiotic produced by Streptomyces tenebrarius. It is effective against gram-negative bacteria, especially the pseudomonas species. It is a 10% component of the antibiotic complex, nebramycin, produced by the same species. [PubChem]","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For the treatment of pseudomonas aeruginosa lung infections. Also being investigated for use in the treatment of sinus infections.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=441mg/kg (s.c. in mice)","MechanismOfAction":"Tobramycin binds irreversibly to one of two aminoglycoside binding sites on the 30 S ribosomal subunit, inhibiting bacterial protein synthesis. Tobramycin may also destabilize bacterial memebrane by binding to 16 S 16 S r-RNA. An active transport mechanism for aminoglycoside uptake is necessary in the bacteria in order to attain a significant intracellular concentration of tobramycin.","Pharmacodynamics":"Tobramycin, an aminoglycoside antibiotic obtained from cultures of \u003ci\u003eStreptomyces tenebrarius\u003c/i\u003e, is used in combination with other antibiotics to treat urinary tract infections, gynecologic infections, peritonitis, endocarditis, pneumonia, bacteremia and sepsis, respiratory infections including those associated with cystic fibrosis, osteomyelitis, and diabetic foot and other soft-tissue infections. It acts primarily by disrupting protein synthesis, leading to altered cell membrane permeability, progressive disruption of the cell envelope, and eventual cell death. Tobramycin has in vitro activity against a wide range of gram-negative organisms including \u003cem\u003ePseudomonas aeruginosa\u003c/em\u003e.","Absorption":"The bioavailability of tobramycin may vary because of individual differences in nebulizer performance and airway pathology.","Interactions":[{"ID":"DB00819"},{"ID":"DB00681"},{"ID":"DB00732"},{"ID":"DB00542"},{"ID":"DB00887"},{"ID":"DB00796"},{"ID":"DB01197"},{"ID":"DB01326"},{"ID":"DB01139"},{"ID":"DB01327"},{"ID":"DB01328"},{"ID":"DB01329"},{"ID":"DB00923"},{"ID":"DB00493"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB01333"},{"ID":"DB00438"},{"ID":"DB01332"},{"ID":"DB01212"},{"ID":"DB01112"},{"ID":"DB03450"},{"ID":"DB00515"},{"ID":"DB01111"},{"ID":"DB00091"},{"ID":"DB00900"},{"ID":"DB01135"},{"ID":"DB00584"},{"ID":"DB00903"},{"ID":"DB00492"},{"ID":"DB00695"},{"ID":"DB01109"},{"ID":"DB01029"},{"ID":"DB00709"},{"ID":"DB00722"},{"ID":"DB01356"},{"ID":"DB00678"},{"ID":"DB01336"},{"ID":"DB01226"},{"ID":"DB00275"},{"ID":"DB01337"},{"ID":"DB00790"},{"ID":"DB00252"},{"ID":"DB01338"},{"ID":"DB00881"},{"ID":"DB00178"},{"ID":"DB00728"},{"ID":"DB00421"},{"ID":"DB00202"},{"ID":"DB01015"},{"ID":"DB00864"},{"ID":"DB00966"},{"ID":"DB01041"},{"ID":"DB01607"},{"ID":"DB00273"},{"ID":"DB00214"},{"ID":"DB00440"},{"ID":"DB01199"},{"ID":"DB00177"},{"ID":"DB00512"},{"ID":"DB01339"}],"Salts":[{"ID":"DBSALT000317","Name":"Tobramycin Sulfate"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00711","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00684","DB01972","DB02431","DB03685"]}]},{"ID":"DB00685","Name":"Trovafloxacin","DrugType":"small molecule","HalfLife":"Following oral administration, half-life ranged from 9.1 hours to 12.2 hours over the dosage range of 100 to 200 mg tablets. Following intravenous infusion, half-life ranged from 9.4 to 12.7 hours over a dosage range of 100 to 300 mg.","Description":"Trovafloxacin (sold as Trovan by Pfizer) is a broad spectrum antibiotic that inhibits the uncoiling of supercoiled DNA in various bacteria by blocking the activity of DNA gyrase and topoisomerase IV. It was withdrawn from the market due to the risk of hepatotoxicity. It had better gram-positive bacterial coverage and less gram-negative coverage than the previous fluoroquinolones. [Wikipedia]","Classification":{"Description":"This compound belongs to the naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.","DirectParent":"Naphthyridine Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Naphthyridine Carboxylic Acids and Derivatives"},"Indication":"For treatment of infections caused by susceptible strains of the designated microorganisms in uncomplicated urethral gonorrhea in males and endocervical and rectal gonorrhea in females caused by \u003ci\u003eNeisseria gonorrhoeae\u003c/i\u003e as well as non gonoccocal urethritis and cervicitis due to \u003ci\u003eChlamydia trachomatis\u003c/i\u003e.","Toxicity":"Symptoms of overdose include convulsions, decreased activity, diarrhea, sleepiness, tremors, and/or vomiting.","MechanismOfAction":"Trovafloxacin is a fluoronaphthyridone related to the fluoroquinolones with in vitro activity against a wide range of gram-negative and gram-positive aerobic and anaerobic microorganisms. The bactericidal action of trovafloxacin results from inhibition of DNA gyrase and topoisomerase IV. DNA gyrase is an essential enzyme that is involved in the replication, transcription, and repair of bacterial DNA. Topoisomerase IV is an enzyme known to play a key role in the partitioning of the chromosomal DNA during bacterial cell division.","Pharmacodynamics":"Trovafloxacin is a broad spectrum antibiotic that inhibits DNA supercoiling in various bacteria by blocking the activity of DNA gyrase and topoisomerase IV. It is not used widely due to the risk of hepatotoxicity. It tends to have better gram-positive bacterial coverage and less gram-negative coverage than the previous fluoroquinolones. Mechanism of action of fluoroquinolones including trovafloxacin is different from that of penicillins, cephalosporins, aminoglycosides, macrolides, and tetracyclines. Therefore fluoroquinolones may be active against pathogens that are resistant to these antibiotics. There is no cross-resistance between trovafloxacin and the mentioned classes of antibiotics. The overall results obtained from in vitro synergy studies, testing combinations of trovafloxacin with beta-lactams and aminoglycosides, indicate that synergy is strain specific and not commonly encountered. This agrees with results obtained previously with other fluoroquinolones. Resistance to trovafloxacin in vitro develops slowly via multiple-step mutation in a manner similar to other fluoroquinolones. Resistance to trovafloxacin in vitro occurs at a general frequency of between 1x10\u003csup\u003e-7\u003c/sup\u003e to 10\u003csup\u003e-10\u003c/sup\u003e. Although cross-resistance has been observed between trovafloxacin and some other fluoroquinolones, some microorganisms resistant to other fluoroquinolones may be susceptible to trovafloxacin.","Absorption":"Well-absorbed from the gastrointestinal tract after oral administration and does not depend on concomitant food intake. The absolute bioavailability is approximately 88%.","Interactions":[{"ID":"DB01370"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB00326"},{"ID":"DB00900"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00653"},{"ID":"DB00295"},{"ID":"DB00881"},{"ID":"DB00658"},{"ID":"DB00364"},{"ID":"DB01593"}],"Salts":[{"ID":"DBSALT000992","Name":"Trovafloxacin mesylate"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00686","Name":"Pentosan Polysulfate","DrugType":"small molecule","HalfLife":"4.8 hours","Description":"A sulfated pentosyl polysaccharide with heparin-like properties. [PubChem]","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"For the relief of bladder pain or discomfort associated with interstitial cystitis.","Toxicity":"","MechanismOfAction":"Pentosan polysulfate is a polymer of xylose hydrogen sulfate and contains two sulfate groups per carbohydrate monomer. It binds Fibroblast growth factors (FGFs) as well as other heparin-binding growth factors. It has been shown to interact also with the heparin-binding site of FGFR-1. It inhibits the growth of SW13 adrenocortical cells transfected with FGF-4 and tumorigenicity of MCF-7 breast carcinoma cells transfected with FGF-1 or FGF-4.","Pharmacodynamics":"Pentosan polysulfate sodium is a low molecular weight heparin-like compound. It has anticoagulant and fibrinolytic effects.","Absorption":"Slow","Interactions":[{"ID":"DB00063"}],"Salts":[{"ID":"DBSALT000991","Name":"Pentosan Polysulphate Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00687","Name":"Fludrocortisone","DrugType":"small molecule","HalfLife":"3.5 hours","Description":"A synthetic mineralocorticoid with anti-inflammatory activity. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For partial replacement therapy for primary and secondary adrenocortical insufficiency in Addison's disease and for the treatment of salt-losing adrenogenital syndrome.","Toxicity":"Effects of overexposure include irritation, cardiac edema, increased blood volume, hypertension, cardiac arrhythmias, enlargement of the heart, headaches, and weakness of the extremities.","MechanismOfAction":"Fludrocortisone binds the mineralocorticoid receptor (aldosterone receptor). This binding (or activation of the mineralocorticoid receptor by fludrocortisone) in turn causes an increase in ion and water transport and thus raises extracellular fluid volume and blood pressure and lowers potassium levels.","Pharmacodynamics":"Fludrocortisone is a synthetic adrenocortical steroid possessing very potent mineralocorticoid properties and high glucocorticoid activity. It is indicated as partial replacement therapy for primary and secondary adrenocortical insufficiency in Addison\u0026rsquo;s disease and for the treatment of salt-losing adrenogenital syndrome. The physiologic action of fludrocortisone acetate is similar to that of hydrocortisone. However, the effects of fludrocortisone acetate, particularly on electrolyte balance, but also on carbohydrate metabolism, are considerably heightened and prolonged. Mineralocorticoids act on the distal tubules of the kidney to enhance the reabsorption of sodium ions from the tubular fluid into the plasma; they increase the urinary excretion of both potassium and hydrogen ions.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB01122"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB01294"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB01010"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB01397"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00211"},{"ID":"DB01400"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB01346"},{"ID":"DB01045"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00418"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00072"},{"ID":"DB01401"},{"ID":"DB01339"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000659","Name":"Fludrocortisone Acetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00688","Name":"Mycophenolate mofetil","DrugType":"small molecule","HalfLife":"The mean elimination half-life for mycophenolic acid (the active metabolite) ranges from 8-16 hours, while that of the MPAG metabolite ranges from 13-17 hours.","Description":"Mycophenolate mofetil is the 2-morpholinoethyl ester of mycophenolic acid (MPA), an immunosuppressive agent, inosine monophosphate dehydrogenase (IMPDH) inhibitor.","Classification":{"Description":"This compound belongs to the phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.","DirectParent":"Phthalides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Benzofuranones"},"Indication":"For the prophylaxis of organ rejection in patients receiving allogeneic renal, cardiac or hepatic transplants. Mycophenolate mofetil should be used concomitantly with cyclosporine and corticosteroids. ","Toxicity":"Oral (LD50): Acute: 352 mg/kg [Rat], 1000 mg/kg [Mouse], and \u0026gt;6000 mg/kg [Rabbit]. Possible signs and symptoms of acute overdose could include the following: hematological abnormalities such as leukopenia and neutropenia, and gastrointestinal symptoms such as abdominal pain, diarrhea, nausea and vomiting, and dyspepsia.","MechanismOfAction":"Mycophenolate mofetil is hydrolyzed to form mycophenolic acid (MPA), which is the active metabolite. MPA is a potent, selective, uncompetitive, and reversible inhibitor of inosine monophosphate dehydrogenase (IMPDH), and therefore inhibits the de novo pathway of guanosine nucleotide synthesis without incorporation into DNA. Because T- and B-lymphocytes are critically dependent for their proliferation on de novo synthesis of purines, whereas other cell types can utilize salvage pathways, MPA has potent cytostatic effects on lymphocytes. MPA inhibits proliferative responses of T- and B-lymphocytes to both mitogenic and allospecific stimulation. Addition of guanosine or deoxyguanosine reverses the cytostatic effects of MPA on lymphocytes. MPA also suppresses antibody formation by B-lymphocytes. MPA prevents the glycosylation of lymphocyte and monocyte glycoproteins that are involved in intercellular adhesion to endothelial cells and may inhibit recruitment of leukocytes into sites of inflammation and graft rejection. Mycophenolate mofetil did not inhibit early events in the activation of human peripheral blood mononuclear cells, such as the production of interleukin-1 (IL-1) and interleukin-2 (IL-2), but did block the coupling of these events to DNA synthesis and proliferation.","Pharmacodynamics":"Mycophenolate mofetil is a prodrug of mycophenolic acid (MPA), an antibiotic substance derived from \u003ci\u003ePenicillium stoloniferum\u003c/i\u003e. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase. Mycophenolic acid is important because of its selective effects on the immune system. It prevents the proliferation of T-cells, lymphocytes, and the formation of antibodies from B-cells. It also may inhibit recruitment of leukocytes to inflammatory sites.","Absorption":"Rapidly absorbed following oral administration. In 12 healthy volunteers, the mean absolute bioavailability of oral mycophenolate mofetil relative to intravenous mycophenolate mofetil (based on MPA AUC) was 94%. The absolute bioavailability of the delayed release tablet in stable renal transplant patients on cyclosporin is 72%. Food (27 g fat, 650 calories) has no effect on the extent of absorption (MPA AUC) of mycophenolate mofetil.","Interactions":[{"ID":"DB06681"},{"ID":"DB01373"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01045"},{"ID":"DB06372"},{"ID":"DB00864"},{"ID":"DB00072"},{"ID":"DB01610"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00652","Drugs":["DB00688","DB01024","DB01345","DB03435"]}]},{"ID":"DB00689","Name":"Cephaloglycin","DrugType":"small molecule","HalfLife":"","Description":"A cephalorsporin antibiotic that is no longer commonly used. ","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For treatment of severe infections caused by susceptible bacteria.","Toxicity":"Adverse effects following overdosage include nausea, vomiting, epigastric distress, diarrhea, and convulsions.","MechanismOfAction":"The bactericidal activity of cephaloglycin results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs).","Pharmacodynamics":"Cephaloglycin is an antibiotic related to cephalosporin but no longer in common use. It is an orally absorbed derivative of cephalosporin C.","Absorption":"Well absorbed following oral administration.","Interactions":[{"ID":"DB01032"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00690","Name":"Flurazepam","DrugType":"small molecule","HalfLife":"The mean apparent half-life of flurazepam is 2.3 hours. The half life of elimination of N1-des-alkyl- flurazepam ranged from 47 to 100 hours","Description":"A benzodiazepine derivative used mainly as a hypnotic. [PubChem]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For short-term and intermittent use in patients with recurring insomnia and poor sleeping habits","Toxicity":"Coma, confusion, low blood pressure, sleepiness","MechanismOfAction":"Flurazepam binds to an allosteric site on GABA-A receptors. Binding potentiates the action of GABA on GABA-A receptors by opening the chloride channel within the receptor, causing chloride influx and hyperpolarization.","Pharmacodynamics":"Flurazepam, a benzodiazepine derivative, is a hypnotic agent which does not appear to decrease dream time as measured by rapid eye movements (REM). Furthermore, it decreases sleep latency and number of awakenings for a consequent increase in total sleep time.","Absorption":"Flurazepam hydrochloride is rapidly (30 minutes) absorbed from the gastrointestinal tract","Interactions":[{"ID":"DB00701"},{"ID":"DB00501"},{"ID":"DB00363"},{"ID":"DB00754"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00252"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000543","Name":"Flurazepam Hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00691","Name":"Moexipril","DrugType":"small molecule","HalfLife":"Moexipril elimination half-life is approximately 1 hour. Moexiprilat elimination half-life is 2 to 9 hours.","Description":"Moexipril is a non-sulfhydryl containing precursor of the active angiotensin-converting enzyme (ACE) inhibitor moexiprilat. It is used to treat high blood pressure (hypertension). It works by relaxing blood vessels, causing them to widen. Lowering high blood pressure helps prevent strokes, heart attacks and kidney problems.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of hypertension.","Toxicity":"Human overdoses of moexipril have not been reported. In case reports of overdoses with other ACE inhibitors, hypotension has been the principal adverse effect noted. Single oral doses of 2 g/kg moexipril were associated with significant lethality in mice. Rats, however, tolerated single oral doses of up to 3 g/kg. Common adverse effects include cough, dizziness, diarrhea, flu syndrome, fatigue, pharyngitis, flushing, rash, and myalgia","MechanismOfAction":"Moexipril is a prodrug for moexiprilat, which inhibits ACE in humans and animals. The mechanism through which moexiprilat lowers blood pressure is believed to be primarily inhibition of ACE activity. ACE is a peptidyl dipeptidase that catalyzes the conversion of the inactive decapeptide angiotensin I to the vasoconstrictor substance angiotensin II. Angiotensin II is a potent peripheral vasoconstrictor that also stimulates aldosterone secretion by the adrenal cortex and provides negative feedback on renin secretion. ACE is identical to kininase II, an enzyme that degrades bradykinin, an endothelium-dependent vasodilator. Moexiprilat is about 1000 times as potent as moexipril in inhibiting ACE and kininase II. Inhibition of ACE results in decreased angiotensin II formation, leading to decreased vasoconstriction, increased plasma renin activity, and decreased aldosterone secretion. The latter results in diuresis and natriuresis and a small increase in serum potassium concentration (mean increases of about 0.25 mEq/L were seen when moexipril was used alone). Whether increased levels of bradykinin, a potent vasodepressor peptide, play a role in the therapeutic effects of moexipril remains to be elucidated. Although the principal mechanism of moexipril in blood pressure reduction is believed to be through the renin-angiotensin-aldosterone system, ACE inhibitors have some effect on blood pressure even in apparent low-renin hypertension.","Pharmacodynamics":"Moexipril is a non-sulfhydryl containing precursor of the active angiotensin-converting enzyme (ACE) inhibitor moexiprilat. It is used to treat high blood pressure (hypertension). It works by relaxing blood vessels, causing them to widen. Lowering high blood pressure helps prevent strokes, heart attacks and kidney problems.","Absorption":"Moexipril is incompletely absorbed, with bioavailability as moexiprilat of about 13% compared to intravenous (I.V.) moexipril (both measuring the metabolite moexiprilat), and is markedly affected by food, which reduces C\u003csub\u003emax\u003c/sub\u003e and AUC by about 70% and 40%, respectively, after the ingestion of a low-fat breakfast or by 80% and 50%, respectively, after the ingestion of a high-fat breakfast.","Interactions":[{"ID":"DB00594"},{"ID":"DB08822"},{"ID":"DB06196"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB01369"},{"ID":"DB00697"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":[{"ID":"DBSALT000504","Name":"Moexipril Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00151","Drugs":["DB00691","DB01593"]},{"ID":"SMP00595","Drugs":["DB00691","DB01593"]}]},{"ID":"DB00692","Name":"Phentolamine","DrugType":"small molecule","HalfLife":"19 minutes","Description":"A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of raynaud disease and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease. [PubChem]","Classification":{"Description":"This compound belongs to the aminophenols. These are organic compounds containing an amino group attached to a phenol.","DirectParent":"Aminophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"Used as an aid for the diagnosis of pheochromocytoma, and may be administered immediately prior to or during pheochromocytomectomy to prevent or control paroxysmal hypertension resulting from anesthesia, stress, or operative manipulation of the tumor. Phentolamine has also been used to treat hypertensive crisis caused by sympathomimetic amines or catecholamine excess by certain foods or drugs in patients taking MAO inhibitors, or by clonidine withdrawal syndrome. Other indications include the prevention of dermal necrosis and sloughing following IV administration or extravasation of norepinephrine, decrease in impedance to left ventricular ejection and the infarct size in patients with MI associated with left ventricular failure, treatment of erectile dysfunction through self-injection of small doses combined with papaverine hydrochloride into the corpus cavernosum, and as an adjunct to the management of cocaine overdose to reverse coronary vasoconstriction following use of oxygen, benzodiazepines,and nitroglycerin. ","Toxicity":"","MechanismOfAction":"Phentolamine produces its therapeutic actions by competitively blocking alpha-adrenergic receptors (primarily excitatory responses of smooth muscle and exocrine glands), leading to a muscle relaxation and a widening of the blood vessels. This widening of the blood vessels results in a lowering of blood pressure. The action of phentolamine on the alpha adrenergic receptors is relatively transient and the blocking effect is incomplete. The drug is more effective in antagonizing responses to circulating epinephrine and/or norepinephrine than in antagonizing responses to mediator released at the adrenergic nerve ending. Phentolamine also stimulates β-adrenergic receptors and produces a positive inotropic and chronotropic effect on the heart and increases cardiac output.","Pharmacodynamics":"Phentolamine is indicated for the control of episodes of hypertension and sweating that occur with a disease called pheochromocytoma. If tachycardia is excessive, it may be necessary to use a beta-blocking agent concomitantly. Phentolamine is a long-acting, adrenergic, alpha-receptor blocking agent which can produce and maintain \"chemical sympathectomy\" by oral administration. It increases blood flow to the skin, mucosa and abdominal viscera, and lowers both supine and erect blood pressures. It has no effect on the parasympathetic system. Phentolamine works by blocking alpha receptors in certain parts of the body. Alpha receptors are present in the muscle that lines the walls of blood vessels. When the receptors are blocked by Phentolamine, the muscle relaxes and the blood vessels widen. This widening of the blood vessels results in a lowering of blood pressure.","Absorption":"","Interactions":[{"ID":"DB00820"},{"ID":"DB00706"},{"ID":"DB00374"},{"ID":"DB00862"}],"Salts":[{"ID":"DBSALT000980","Name":"Phentolamine Mesylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00693","Name":"Fluorescein","DrugType":"small molecule","HalfLife":"","Description":"A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium, such as the aqueous humor, and is used therapeutically as a diagnostic aid in corneal injuries and corneal trauma. It has been approved by FDA for use in externally applied drugs and cosmetics. (From Merck Index, 12th ed; American Medical Association Drug Evaluations; 1995, p2275)","Classification":{"Description":"This compound belongs to the xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene ring joined to each other by a pyran ring.","DirectParent":"Xanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Dibenzopyrans"},"Indication":"For diagnostic imaging. Primarily indicated in diagnostic fluorescein angiography or angioscopy of the fundus and of the iris vasculature.","Toxicity":"","MechanismOfAction":"Fluorescein sodium is used extensively as a diagnostic tool in the field of ophthalmology. Fluorescein is a fluorescent compound or fluorophore having a maximum absorbance of 494 m and an emission maximum of 521 nm. The yellowish-green fluorescence of the compound can be used to demarcate the vascular area under observation, distinguishing it from adjacent areas. It is applied topically in the form of a drop or it can be injected intravenously to produce a fluorescein angiogram. Topical fluorescein is a useful tool in the diagnosis of corneal abrasions, corneal ulcers, herpetic corneal infections, and dry eye. Fluorescein angiography is used to diagnose and categorize macular degeneration, diabetic retinopathy, inflammatory intraocular conditions, and intraocular tumors.\r\n\r\n","Pharmacodynamics":"","Absorption":"Rapidly distributed","Interactions":null,"Salts":[{"ID":"DBSALT000660","Name":"Fluorescein disodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00694","Name":"Daunorubicin","DrugType":"small molecule","HalfLife":"18.5 hours","Description":"A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of leukemia and other neoplasms. [PubChem]","Classification":{"Description":"This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.","DirectParent":"Anthracyclines","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Anthracyclines","SubClass":""},"Indication":"For remission induction in acute nonlymphocytic leukemia (myelogenous, monocytic, erythroid) of adults and for remission induction in acute lymphocytic leukemia of children and adults.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=20 mg/kg (mice, IV); LD\u003csub\u003e50\u003c/sub\u003e=13 mg/kg (rat, IV)","MechanismOfAction":"Daunorubicin has antimitotic and cytotoxic activity through a number of proposed mechanisms of action: Daunorubicin forms complexes with DNA by intercalation between base pairs, and it inhibits topoisomerase II activity by stabilizing the DNA-topoisomerase II complex, preventing the religation portion of the ligation-religation reaction that topoisomerase II catalyzes.","Pharmacodynamics":"Daunorubicin is an antineoplastic in the anthracycline class. General properties of drugs in this class include: interaction with DNA in a variety of different ways including intercalation (squeezing between the base pairs), DNA strand breakage and inhibition with the enzyme topoisomerase II. Most of these compounds have been isolated from natural sources and antibiotics. However, they lack the specificity of the antimicrobial antibiotics and thus produce significant toxicity. The anthracyclines are among the most important antitumor drugs available. Doxorubicin is widely used for the treatment of several solid tumors while daunorubicin and idarubicin are used exclusively for the treatment of leukemia. Daunorubicin may also inhibit polymerase activity, affect regulation of gene expression, and produce free radical damage to DNA. Daunorubicin possesses an antitumor effect against a wide spectrum of tumors, either grafted or spontaneous. The anthracyclines are cell cycle-nonspecific.","Absorption":"","Interactions":[{"ID":"DB00072"}],"Salts":[{"ID":"DBSALT000665","Name":"Daunorubicin Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00695","Name":"Furosemide","DrugType":"small molecule","HalfLife":"2 hours","Description":"A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for edema and chronic renal insufficiency. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of edema associated with congestive heart failure, cirrhosis of the liver, and renal disease, including the nephrotic syndrome. Also for the treatment of hypertension alone or in combination with other antihypertensive agents.","Toxicity":"Profound diuresis may cause fluid and electrolyte depletion. Excessive dehydration and potassium depletion may occur. Excessive diuresis may cause rapid weight loss, orthostatic hypotension or acute hypotensive episodes. May also cause tinnitus, reversible or permanent hearing loss or reversible deafness. ","MechanismOfAction":"Furosemide, a loop diuretic, inhibits water reabsorption in the nephron by blocking the sodium-potassium-chloride cotransporter (NKCC2) in the thick ascending limb of the loop of Henle. This is achieved through competitive inhibition at the chloride binding site on the cotransporter, thus preventing the transport of sodium from the lumen of the loop of Henle into the basolateral interstitium. Consequently, the lumen becomes more hypertonic while the interstitium becomes less hypertonic, which in turn diminishes the osmotic gradient for water reabsorption throughout the nephron. Because the thick ascending limb is responsible for 25% of sodium reabsorption in the nephron, furosemide is a very potent diuretic.","Pharmacodynamics":"Furosemide, a sulfonamide-type loop diuretic structurally related to bumetanide, is used to manage hypertension and edema associated with congestive heart failure, cirrhosis, and renal disease, including the nephrotic syndrome.","Absorption":"60% absorbed in patients with normal renal function","Interactions":[{"ID":"DB09026"},{"ID":"DB00479"},{"ID":"DB00515"},{"ID":"DB00930"},{"ID":"DB01078"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00798"},{"ID":"DB01404"},{"ID":"DB01050"},{"ID":"DB05039"},{"ID":"DB00328"},{"ID":"DB01172"},{"ID":"DB00532"},{"ID":"DB00955"},{"ID":"DB00252"},{"ID":"DB01082"},{"ID":"DB00605"},{"ID":"DB00684"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00115","Drugs":["DB00151","DB00695","DB01345","DB03904"]}]},{"ID":"DB00696","Name":"Ergotamine","DrugType":"small molecule","HalfLife":"2 hours","Description":"A vasoconstrictor found in ergot of Central Europe. It is an alpha-1 selective adrenergic agonist and is commonly used in the treatment of migraine disorders. [PubChem]","Classification":{"Description":"This compound belongs to the ergotamines, dihydroergotamines, and derivatives. These are organic compounds containing an ergotamine moiety, which is structurally characterized by a benzyl substituent attached to the piperazine ring of the ergopeptine backbone.","DirectParent":"Ergotamines, Dihydroergotamines, and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Ergolines and Derivatives","SubClass":"Lysergic Acids and Derivatives"},"Indication":"For use as therapy to abort or prevent vascular headache, e.g., migraine, migraine variants, or so called \"histaminic cephalalgia\".","Toxicity":"Signs of overexposure include irritation, nausea, vomiting, headache, diarrhea, thirst, coldness of skin, pruritus, weak pulse, numbness, tingling of extremities, and confusion.","MechanismOfAction":"Ergotamine acts on migraine by one of two proposed mechanisms: 1) activation of 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors located on intracranial blood vessels, including those on arterio-venous anastomoses, leads to vasoconstriction, which correlates with the relief of migraine headache, and 2) activation of 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors on sensory nerve endings of the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release.","Pharmacodynamics":"Ergotamine is a vasoconstrictor and alpha adrenoreceptor antagonist. The pharmacological properties of ergotamine are extremely complex; some of its actions are unrelated to each other, and even mutually antagonistic. The drug has partial agonist and/or antagonist activity against tryptaminergic, dopaminergic and alpha adrenergic receptors depending upon their site, and it is a highly active uterine stimulant. It causes constriction of peripheral and cranial blood vessels and produces depression of central vasomotor centers. The pain of a migraine attack is believed to be due to greatly increased amplitude of pulsations in the cranial arteries, especially the meningeal branches of the external carotid artery. Ergotamine reduces extracranial blood flow, causes a decline in the amplitude of pulsation in the cranial arteries, and decreases hyperperfusion of the territory of the basilar artery. It does not reduce cerebral hemispheric blood flow.","Absorption":"The bioavailability of sublingually administered ergotamine has not been determined.","Interactions":[{"ID":"DB01193"},{"ID":"DB00918"},{"ID":"DB00701"},{"ID":"DB01612"},{"ID":"DB01072"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB01211"},{"ID":"DB00705"},{"ID":"DB06700"},{"ID":"DB00625"},{"ID":"DB00216"},{"ID":"DB01613"},{"ID":"DB00199"},{"ID":"DB00187"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB00998"},{"ID":"DB00224"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB00598"},{"ID":"DB04871"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00727"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB06154"},{"ID":"DB00960"},{"ID":"DB01263"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00503"},{"ID":"DB00953"},{"ID":"DB01232"},{"ID":"DB01105"},{"ID":"DB00489"},{"ID":"DB00669"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00373"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB01361"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00744"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000979","Name":"Ergotamine Tartrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00697","Name":"Tizanidine","DrugType":"small molecule","HalfLife":"2.5 hours","Description":"Tizanidine is a short-acting drug for the management of spasticity. Tizanidine is an agonist at a2-adrenergic receptor sites and presumably reduces spasticity by increasing presynaptic inhibition of motor neurons. In animal models, tizanidine has no direct effect on skeletal muscle fibers or the neuromuscular junction, and no major effect on monosynaptic spinal reflexes. The effects of tizanidine are greatest on polysynaptic pathways. The overall effect of these actions is thought to reduce facilitation of spinal motor neurons.","Classification":{"Description":"This compound belongs to the benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring.","DirectParent":"Benzothiadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiadiazoles","SubClass":""},"Indication":"For the management of increased muscle tone associated with spasticity","Toxicity":"","MechanismOfAction":"Tizanidine reduces spasticity by increasing presynaptic inhibition of motor neurons through agonist action at a2-adrenergic receptor sites.","Pharmacodynamics":"Tizanidine is a short-acting drug for the management of spasticity. Tizanidine is an agonist at a2-adrenergic receptor sites and presumably reduces spasticity by increasing presynaptic inhibition of motor neurons. In animal models, tizanidine has no direct effect on skeletal muscle fibers or the neuromuscular junction, and no major effect on monosynaptic spinal reflexes. The effects of tizanidine are greatest on polysynaptic pathways. The overall effect of these actions is thought to reduce facilitation of spinal motor neurons.","Absorption":"","Interactions":[{"ID":"DB01118"},{"ID":"DB00381"},{"ID":"DB00542"},{"ID":"DB01197"},{"ID":"DB01340"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00586"},{"ID":"DB00843"},{"ID":"DB00584"},{"ID":"DB00898"},{"ID":"DB00977"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00492"},{"ID":"DB00674"},{"ID":"DB01241"},{"ID":"DB01026"},{"ID":"DB00281"},{"ID":"DB00722"},{"ID":"DB01357"},{"ID":"DB00553"},{"ID":"DB00379"},{"ID":"DB01110"},{"ID":"DB00691"},{"ID":"DB00218"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB00790"},{"ID":"DB01087"},{"ID":"DB01182"},{"ID":"DB00818"},{"ID":"DB00881"},{"ID":"DB01369"},{"ID":"DB00178"},{"ID":"DB00989"},{"ID":"DB01348"},{"ID":"DB00730"},{"ID":"DB00208"},{"ID":"DB00519"},{"ID":"DB00752"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000550","Name":"Tizanidine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00698","Name":"Nitrofurantoin","DrugType":"small molecule","HalfLife":"0.3-1 hour","Description":"A bacteriostatic or bactericidal agent depending on the concentration and susceptibility of the infecting organism. Nitrofurantoin is active against some gram positive organisms such as S. aureus, S. epidermidis, S. saprophyticus, Enterococcus faecalis, S. agalactiae, group D streptococci, viridians streptococci and Corynebacterium. Its spectrum of activity against gram negative organisms includes E. coli, Enterobacter, Neisseria, Salmonella and Shigella. It may be used as an alternative to trimethoprim/sulfamethoxazole for treating urinary tract infections though it may be less effective at eradicating vaginal bacteria. May also be used in females as prophylaxis against recurrent cystitis related to coitus. Nitrofurantoin is highly stable to the development of bacterial resistance, a property thought to be due to its multiplicity of mechanisms of action. ","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"May be used as an alternative in the treatment of urinary tract infections. May be used by females pericoitally for prophylaxis against recurrent cystitis related to coitus. ","Toxicity":"Acute toxicity may cause vomiting. Adverse effects include nausea and urine discolouration. Rare hepatotoxic and hypersensitivity reactions have occurred. Hemolytic anemia is a risk in patients with G6PD deficiency. Ascending polyneuropathy may occur with prolonged therapy or in patients with low creatinine clearance. ","MechanismOfAction":"Nitrofurantoin is activated by bacterial flavoproteins (nitrofuran reductase) to active reduced reactive intermediates that are thought to modulate and damage ribosomal proteins or other macromolecules, especially DNA, causing inhibition of DNA, RNA, protein, and cell wall synthesis. The overall effect is inhibition of bacterial growth or cell death. ","Pharmacodynamics":"Nitrofurantoin exhibits bacteriostatic or bactericidal effects by inhibiting the synthesis of DNA, RNA, protein and cell wall synthesis. ","Absorption":"Readily absorbed in GI tract primarily in small intestine. Enhanced by food or delayed gastric emptying via enhanced dissolution rate of the drug. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00699","Name":"Nicergoline","DrugType":"small molecule","HalfLife":"","Description":"An ergot derivative that has been used as a cerebral vasodilator and in peripheral vascular disease. It has been suggested to ameliorate cognitive deficits in cerebrovascular disease. [PubChem]","Classification":{"Description":"This compound belongs to the indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.","DirectParent":"Indoloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Indoloquinolines"},"Indication":"For the treatment of senile dementia, migraines of vascular origin, transient ischemia, platelet hyper-aggregability, and macular degeneration.","Toxicity":"","MechanismOfAction":"Nicergoline acts by inhibiting the postsynaptic alpha(1)-adrenoceptors on vascular smooth muscle. This inhibits the vasoconstrictor effect of circulating and locally released catecholamines (epinephrine and norepinephrine), resulting in peripheral vasodilation. Therefore the mechanism of Nicergoline is to increase vascular circulation in the brain, thereby enhancing the transmission of nerve signals across the nerve fibres, which secrete acetylcholine as a neural transmitter.","Pharmacodynamics":"Nicergoline is a potent vasodilator (improves brain blood flow). On the cerebral level it prompts a lowering of vascular resistance, an increase in arterial flow and stimulates the use of oxygen and glucose. Nicergoline also improves blood circulation in the lungs and limbs and has been shown to inhibit blood platelet aggregation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00700","Name":"Eplerenone","DrugType":"small molecule","HalfLife":"4-6 hours","Description":"Eplerenone, an aldosterone receptor antagonist similar to spironolactone, has been shown to produce sustained increases in plasma renin and serum aldosterone, consistent with inhibition of the negative regulatory feedback of aldosterone on renin secretion. The resulting increased plasma renin activity and aldosterone circulating levels do not overcome the effects of eplerenone. Eplerenone selectively binds to recombinant human mineralocorticoid receptors relative to its binding to recombinant human glucocorticoid, progesterone and androgen receptors.","Classification":{"Description":"This compound belongs to the other steroids and derivatives.","DirectParent":"Other Steroids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Other Steroids and Derivatives"},"Indication":"For improvement of survival of stable patients with left ventricular systolic dysfunction (ejection fraction \u003c40%) and clinical evidence of congestive heart failure after an acute myocardial infarction.","Toxicity":"The most likely symptoms of human overdosage would be anticipated to be hypotension or hyperkalemia. However, no cases of human overdosage with eplerenone have been reported.","MechanismOfAction":"Eplerenone binds to the mineralocorticoid receptor and thereby blocks the binding of aldosterone (component of the renin-angiotensin-aldosterone-system, or RAAS). Aldosterone synthesis, which occurs primarily in the adrenal gland, is modulated by multiple factors, including angiotensin II and non-RAAS mediators such as adrenocorticotropic hormone (ACTH) and potassium. Aldosterone binds to mineralocorticoid receptors in both epithelial (e.g., kidney) and nonepithelial (e.g., heart, blood vessels, and brain) tissues and increases blood pressure through induction of sodium reabsorption and possibly other mechanisms.","Pharmacodynamics":"Eplerenone, an aldosterone receptor antagonist similar to spironolactone, has been shown to produce sustained increases in plasma renin and serum aldosterone, consistent with inhibition of the negative regulatory feedback of aldosterone on renin secretion. The resulting increased plasma renin activity and aldosterone circulating levels do not overcome the effects of eplerenone. Eplerenone selectively binds to recombinant human mineralocorticoid receptors relative to its binding to recombinant human glucocorticoid, progesterone and androgen receptors.","Absorption":"The absolute bioavailability of eplerenone is unknown.","Interactions":[{"ID":"DB00594"},{"ID":"DB01128"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB00199"},{"ID":"DB00196"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01356"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB01344"},{"ID":"DB01345"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00421"},{"ID":"DB00976"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00384"},{"ID":"DB01361"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00135","Drugs":["DB00151","DB00700","DB01345","DB03904"]}]},{"ID":"DB00701","Name":"Amprenavir","DrugType":"small molecule","HalfLife":"7.1-10.6 hours","Description":"Amprenavir is a protease inhibitor used to treat HIV infection.","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of HIV-1 infection in combination with other antiretroviral agents.","Toxicity":"","MechanismOfAction":"Amprenavir inhibits the HIV viral proteinase enzyme which prevents cleavage of the gag-pol polyprotein, resulting in noninfectious, immature viral particles.","Pharmacodynamics":"Amprenavir is a protease inhibitor with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Protease inhibitors block the part of HIV called protease. HIV-1 protease is an enzyme required for the proteolytic cleavage of the viral polyprotein precursors into the individual functional proteins found in infectious HIV-1. Amprenavir binds to the protease active site and inhibits the activity of the enzyme. This inhibition prevents cleavage of the viral polyproteins resulting in the formation of immature non-infectious viral particles. Protease inhibitors are almost always used in combination with at least two other anti-HIV drugs.","Absorption":"Rapidly absorbed after oral administration in HIV-1-infected patients with a time to peak concentration (T\u003csub\u003emax\u003c/sub\u003e) typically between 1 and 2 hours after a single oral dose. The absolute oral bioavailability of amprenavir in humans has not been established. ","Interactions":[{"ID":"DB01048"},{"ID":"DB01418"},{"ID":"DB00404"},{"ID":"DB01370"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB01244"},{"ID":"DB01294"},{"ID":"DB01373"},{"ID":"DB00604"},{"ID":"DB00628"},{"ID":"DB00091"},{"ID":"DB00705"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB00320"},{"ID":"DB01375"},{"ID":"DB00822"},{"ID":"DB00696"},{"ID":"DB00977"},{"ID":"DB00813"},{"ID":"DB00690"},{"ID":"DB02703"},{"ID":"DB00227"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB00683"},{"ID":"DB01100"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00203"},{"ID":"DB00641"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00906"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00163"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00702","Name":"Icodextrin","DrugType":"small molecule","HalfLife":"","Description":"Icodextrin is an iso-osmotic peritoneal dialysis solution containing glucose polymers. It is used primarily for ambulatory peritoneal dialysis (CAPD) of diabetic patients and automated peritoneal dialysis (APD) for patients with end-stage renal disease. It is injected as a solution into the peritoneal cavity. The drug is absorbed via convective transport via peritoneal lymphatic pathways.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used for continuous ambulatory peritoneal dialysis (CAPD) of diabetic patients or automated peritoneal dialysis (APD) for the management of end-stage renal disease.","Toxicity":"","MechanismOfAction":"Icodextrin is a starch-derived, water-soluble glucose polymer linked by alpha (1-4) and alpha (1-6) glycosidic bonds with an average molecular weight between 13,000 and 19,000 daltons. It functions as a colloid osmotic agent to achieve ultrafiltration during long (12-16 hour) peritoneal dialysis dwells. In other words it helps clean waste out of the body when the kidneys are not functioning properly. Icodectrin acts in the peritoneal cavity by exerting osmotic pressure across small intercellular pores resulting in transcapillary ultrafiltration through the dwell. This is due to the fact that the polymer is minimially absorbed across the peritoneal membrane. Icodextrin achieves superior fluid removal compared with glucose-based dialysates.","Pharmacodynamics":"Icodextrin is an iso-osmotic peritoneal dialysis solution containing glucose polymers. It is used primarily for ambulatory peritoneal dialysis (CAPD) of diabetic patients and automated peritoneal dialysis (APD) for patients with end-stage renal disease. It is injected as a solution into the peritoneal cavity. The drug is absorbed via convective transport via peritoneal lymphatic pathways.","Absorption":"40% of instilled icodextrin was absorbed from the peritoneal solution during a 12-hour dwell.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00703","Name":"Methazolamide","DrugType":"small molecule","HalfLife":"14 hours","Description":"A carbonic anhydrase inhibitor that is used as a diuretic and in the treatment of glaucoma. [PubChem]","Classification":{"Description":"This compound belongs to the thiadiazoles. These are cyclic organic compounds containing a thiadiazole ring, which is a five-member aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.","DirectParent":"Thiadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiadiazoles"},"Indication":"For treatment of chronic open-angle glaucoma and acute angle-closure glaucoma","Toxicity":"Electrolyte imbalance, development of an acidotic state, and central nervous system effects might be expected to occur in the case of an overdose.","MechanismOfAction":"Methazolamide is a potent inhibitor of carbonic anhydrase. Inhibition of carbonic anhydrase in the ciliary processes of the eye decreases aqueous humor secretion, presumably by slowing the formation of bicarbonate ions with subsequent reduction in sodium and fluid transport.","Pharmacodynamics":"Methazolamide is topical carbonic anhydrase inhibitor. Methazolamide is indicated for the reduction of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension who are insufficiently responsive to beta-blockers. Methazolamide is a sulfonamide derivative; however, it does not have any clinically significant antimicrobial properties. Although methazolamide achieves a high concentration in the cerebrospinal fluid, it is not-considered an effective anticonvulsant. Methazolamide has a weak and transient diuretic effect, therefore use results in an increase in urinary volume, with excretion of sodium, potassium and chloride.","Absorption":"Methazolamide is well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00945"},{"ID":"DB01294"},{"ID":"DB01194"},{"ID":"DB01397"},{"ID":"DB01043"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00374"},{"ID":"DB01401"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00704","Name":"Naltrexone","DrugType":"small molecule","HalfLife":"4 hours for naltrexone and 13 hours for the active metabolite 6 beta-naltrexol.","Description":"Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of naloxone. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"Used as an adjunct to a medically supervised behaviour modification program in the maintenance of opiate cessation in individuals who were formerly physically dependent on opiates and who have successfully undergone detoxification. Also used for the management of alcohol dependence in conjunction with a behavioural modification program.","Toxicity":"In the mouse, rat and guinea pig, the oral LD\u003csub\u003e50\u003c/sub\u003es were 1,100-1,550 mg/kg; 1,450 mg/kg; and 1,490 mg/kg; respectively. High doses of naltrexone (generally \u0026ge;1,000 mg/kg) produce salivation, depression/reduced activity, tremors, and convulsions.","MechanismOfAction":"Naltrexone is a pure opiate antagonist and has little or no agonist activity. The mechanism of action of naltrexone in alcoholism is not understood; however, involvement of the endogenous opioid system is suggested by preclinical data. Naltrexone is thought to act as a competitive antagonist at mc, κ, and δ receptors in the CNS, with the highest affintiy for the μ receptor. Naltrexone competitively binds to such receptors and may block the effects of endogenous opioids. This leads to the antagonization of most of the subjective and objective effects of opiates, including respiratory depression, miosis, euphoria, and drug craving. The major metabolite of naltrexone, 6-β-naltrexol, is also an opiate antagonist and may contribute to the antagonistic activity of the drug.","Pharmacodynamics":"Naltrexone, a pure opioid antagonist, is a synthetic congener of oxymorphone with no opioid agonist properties. Naltrexone is indicated in the treatment of alcohol dependence and for the blockade of the effects of exogenously administered opioids. It markedly attenuates or completely blocks, reversibly, the subjective effects of intravenously administered opioids. When co-administered with morphine, on a chronic basis, naltrexone blocks the physical dependence to morphine, heroin and other opioids. In subjects physically dependent on opioids, naltrexone will precipitate withdrawal symptomatology.","Absorption":"Although well absorbed orally, naltrexone is subject to significant first pass metabolism with oral bioavailability estimates ranging from 5 to 40%.","Interactions":null,"Salts":[{"ID":"DBSALT000670","Name":"Naltrexone Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00687","Drugs":["DB00368","DB00704","DB00988","DB01345","DB01373"]}]},{"ID":"DB00705","Name":"Delavirdine","DrugType":"small molecule","HalfLife":"5.8 hours","Description":"A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. [PubChem]","Classification":{"Description":"This compound belongs to the pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.","DirectParent":"Pyridinylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Pyridinylpiperazines"},"Indication":"For the treatment of HIV-1 infection in combination with appropriate antiretroviral agents when therapy is warranted","Toxicity":"Major toxicity of delavirdine is rash and should be advised to promptly notify their physician should rash occur. The majority of rashes associated with delavirdine occur within 1 to 3 weeks after initiating treatment with delavirdine. The rash normally resolves in 3 to 14 days and may be treated symptomatically while therapy with delavirdine is continued. Any patient experiencing severe rash or rash accompanied by symptoms such as fever, blistering, oral lesions, conjunctivitis, swelling, muscle or joint aches should discontinue medication and consult a physician.","MechanismOfAction":"Delavirdine binds directly to viral reverse transcriptase (RT) and blocks the RNA-dependent and DNA-dependent DNA polymerase activities by disrupting the enzyme's catalytic site.","Pharmacodynamics":"Delavirdine is a non-nucleoside reverse transcriptase inhibitor (nNRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Delavirdine binds directly to reverse transcriptase (RT) and blocks the RNA-dependent and DNA-dependent DNA polymerase activities by causing a disruption of the enzyme's catalytic site. The activity of Delavirdine does not compete with template or nucleoside triphosphates. HIV-2 RT and eukaryotic DNA polymerases (such as human DNA polymerases alpha, beta, or sigma) are not inhibited by Delavirdine.","Absorption":"Rapidly absorbed","Interactions":[{"ID":"DB00404"},{"ID":"DB01370"},{"ID":"DB00701"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB01558"},{"ID":"DB01373"},{"ID":"DB00564"},{"ID":"DB00395"},{"ID":"DB00604"},{"ID":"DB01219"},{"ID":"DB00320"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB06414"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00224"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00353"},{"ID":"DB00849"},{"ID":"DB00247"},{"ID":"DB00683"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01369"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB08864"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00641"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01124"},{"ID":"DB01036"},{"ID":"DB00214"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000038","Name":"Delavirdine mesylate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00738","Drugs":["DB00705"]}]},{"ID":"DB00706","Name":"Tamsulosin","DrugType":"small molecule","HalfLife":"5-7 hours","Description":"Tamsulosin is a selective antagonist at alpha-1A and alpha-1B-adrenoceptors in the prostate, prostatic capsule, prostatic urethra, and bladder neck. At least three discrete alpha1-adrenoceptor subtypes have been identified: alpha-1A, alpha-1B and alpha-1D; their distribution differs between human organs and tissue. Approximately 70% of the alpha1-receptors in human prostate are of the alpha-1A subtype. Blockage of these receptors causes relaxation of smooth muscles in the bladder neck and prostate.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Used in the treatment of signs and symptoms of benign prostatic hyperplasia (reduction in urinary obstruction and relief of associated manifestations such as hesitancy, terminal dribbling of urine, interrupted or weak stream...etc.)","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 650 mg/kg (in rats)","MechanismOfAction":"Tamsulosin is a selective antagonist at alpha-1A and alpha-1B-adrenoceptors in the prostate, prostatic capsule, prostatic urethra, and bladder neck. At least three discrete alpha1-adrenoceptor subtypes have been identified: alpha-1A, alpha-1B and alpha-1D; their distribution differs between human organs and tissue. Approximately 70% of the alpha1-receptors in human prostate are of the alpha-1A subtype. Blockage of these receptors causes relaxation of smooth muscles in the bladder neck and prostate, and thus decreases urinary outflow resistance in men.","Pharmacodynamics":"Tamsulosin, a sulfamoylphenethylamine-derivative alpha-adrenoceptor blocker with enhanced specificity for the alpha-adrenoceptors of the prostate, is commonly used to treat benign prostatic hyperplasia (BPH). The drug is commercially available in a racemic mixture of 2 isomers, and is pharmacologically related to doxazocin, prazosin, and terazosin. However, unlike these drugs, tamsulosin has a higher affinity for the alpha-1A- adrenergic receptors, which are located in vascular smooth muscle. Studies show that tamsulosin has about 12 times greater affinity for alpha-1 adrenergic receptors in the prostate than those in the aorta, which may result in a reduced incidence of adverse cardiovascular effects.","Absorption":"Absorption of tamsulosin HCI from capsules 0.4 mg is essentially complete (\u003e90%) following oral administration under fasting conditions.","Interactions":[{"ID":"DB00346"},{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00201"},{"ID":"DB00608"},{"ID":"DB00477"},{"ID":"DB00501"},{"ID":"DB01012"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00257"},{"ID":"DB00363"},{"ID":"DB00907"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB00298"},{"ID":"DB00496"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00343"},{"ID":"DB01075"},{"ID":"DB00590"},{"ID":"DB00254"},{"ID":"DB00476"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB01319"},{"ID":"DB00502"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB00281"},{"ID":"DB01601"},{"ID":"DB00333"},{"ID":"DB00763"},{"ID":"DB00916"},{"ID":"DB01110"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB04868"},{"ID":"DB01059"},{"ID":"DB00715"},{"ID":"DB01186"},{"ID":"DB00925"},{"ID":"DB00692"},{"ID":"DB01132"},{"ID":"DB01263"},{"ID":"DB00457"},{"ID":"DB00205"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01104"},{"ID":"DB06207"},{"ID":"DB06268"},{"ID":"DB00820"},{"ID":"DB00976"},{"ID":"DB01162"},{"ID":"DB00857"},{"ID":"DB00759"},{"ID":"DB00679"},{"ID":"DB00208"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00862"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000978","Name":"Tamsulosin Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00707","Name":"Porfimer","DrugType":"small molecule","HalfLife":"10-452 hours","Description":"The purified component of hematoporphyrin derivative, it consists of a mixture of oligomeric porphyrins. It is used in photodynamic therapy (hematoporphyrin photoradiation); to treat malignant lesions with visible light and experimentally as an antiviral agent. It is the first drug to be approved in the use of photodynamic therapy in the United States. [PubChem]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Indicated in the treatment of esophageal cancer.","Toxicity":"","MechanismOfAction":"Cellular damage caused by porfimer is a consequence of the propagation of radical reactions. Radical initiation may occur after porfimer absorbs light to form a porphyrin excited state. Spin transfer from porfimer to molecular oxygen may then generate singlet oxygen. Subsequent radical reactions can form superoxide and hydroxyl radicals. Tumor death also occurs through ischemic necrosis secondary to vascular occlusion that appears to be partly mediated by thromboxane A2 release.","Pharmacodynamics":"Porfimer is a photosensitizing agent used in the photodynamic therapy (PDT) of tumors. Porfimer is indicated for the palliation of patients with completely obstructing esophageal cancer, or of patients with partially obstructing esophageal cancer who cannot be satisfactorily treated with Nd:YAG laser therapy, reduction of obstruction and palliation of symptoms in patients with completely or partially obstructing endobronchial nonsmall cell lung cancer (NSCLC), and the treatment of microinvasive endobronchial NSCLC in patients for whom surgery and radiotherapy are not indicated. The cytotoxic and antitumor actions of porfimer are light and oxygen dependent. Tumor selectivity in treatment occurs through a combination of selective retention of porfimer and selective delivery of light.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000463","Name":"Porfimer sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00708","Name":"Sufentanil","DrugType":"small molecule","HalfLife":"265 minutes","Description":"An opioid analgesic that is used as an adjunct in anesthesia, in balanced anesthesia, and as a primary anesthetic agent. [PubChem]","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"Used as an analgesic adjunct in anesthesia and as a primary anesthetic drug in procedures requiring assisted ventilation and in the relief of pain.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e: 18.7 mg/kg (IV in mice)","MechanismOfAction":"Opiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Sufentanil's analgesic activity is, most likely, due to its conversion to morphine. Opioids open calcium-dependent inwardly rectifying potassium channels (OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Sufentanil is a synthetic opioid analgesic. Sufentanil interacts predominately with the opioid mu-receptor. These mu-binding sites are discretely distributed in the human brain, spinal cord, and other tissues. In clinical settings, sufentanil exerts its principal pharmacologic effects on the central nervous system. Its primary actions of therapeutic value are analgesia and sedation. Sufentanil may increase the patient's tolerance for pain and decrease the perception of suffering, although the presence of the pain itself may still be recognized. In addition to analgesia, alterations in mood, euphoria and dysphoria, and drowsiness commonly occur. Sufentanil depresses the respiratory centers, depresses the cough reflex, and constricts the pupils.","Absorption":"","Interactions":[{"ID":"DB06274"},{"ID":"DB00501"},{"ID":"DB00976"},{"ID":"DB00752"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000275","Name":"Sufentanil Citrate"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00417","Drugs":["DB00368","DB00708","DB00988","DB01345","DB01373"]}]},{"ID":"DB00709","Name":"Lamivudine","DrugType":"small molecule","HalfLife":"5 to 7 hours (healthy or HBV-infected patients) ","Description":"A reverse transcriptase inhibitor and zalcitabine analog in which a sulfur atom replaces the 3\u0026#39; carbon of the pentose ring. It is used to treat Human Immunodeficiency Virus Type 1 (HIV-1) and hepatitis B (HBV).","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of HIV infection and chronic hepatitis B (HBV).","Toxicity":"The most common reported adverse reactions (incidence ≥15%) in adults were headache, nausea, malaise and fatigue, nasal signs and symptoms, diarrhea, and cough. ","MechanismOfAction":"Lamivudine is a synthetic nucleoside analogue and is phosphorylated intracellularly to its active 5'-triphosphate metabolite, lamivudine triphosphate (L-TP). This nucleoside analogue is incorporated into viral DNA by HIV reverse transcriptase and HBV polymerase, resulting in DNA chain termination.","Pharmacodynamics":"Lamivudine is a nucleoside reverse transcriptase inhibitor (NRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1) and hepatitis B (HBV). Lamivudine is phosphorylated to active metabolites that compete for incorporation into viral DNA. They inhibit the HIV reverse transcriptase enzyme competitively and act as a chain terminator of DNA synthesis. The lack of a 3'-OH group in the incorporated nucleoside analogue prevents the formation of the 5' to 3' phosphodiester linkage essential for DNA chain elongation, and therefore, the viral DNA growth is terminated.","Absorption":"Lamivudine was rapidly absorbed after oral administration in HIV-infected patients. Absolute bioavailability in 12 adult patients was 86% ± 16% (mean ± SD) for the 150-mg tablet and 87% ± 13% for the oral solution. The peak serum lamivudine concentration (Cmax) was 1.5 ± 0.5 mcg/mL when an oral dose of 2 mg/kg twice a day was given to HIV-1 patients. When given with food, absorption is slower, compared to the fasted state. ","Interactions":[{"ID":"DB00684"},{"ID":"DB01610"},{"ID":"DB00943"}],"Salts":[{"ID":"DBSALT000976","Name":"3-TC"},{"ID":"DBSALT000977","Name":"GR 109714 X"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00742","Drugs":["DB00709"]},{"ID":"SMP00649","Drugs":["DB00709","DB03435"]}]},{"ID":"DB00710","Name":"Ibandronate","DrugType":"small molecule","HalfLife":"10-60 hours","Description":"Ibandronate is a nitrogen-containing bisphosphonate in the same class as alendronate and risedronate. Ibandronate inhibits osteoclast-mediated bone resorption. All of the bisphosphonates prevent the breakdown of bone by bone cells called osteoclasts. In persons who are at high risk for osteoporosis, bisphosphonates not only result in increased amounts of bone and bone strength, they also reduce the risk of hip fractures and other bone fractures.","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"For the treatment and prevention of osteoporosis in postmenopausal women.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 811 mg/kg (rat, oral), side effects include bronchitis, pneumonia and urinary tract infections.","MechanismOfAction":"The action of ibandronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting farnesyl pyrophosphate (FPP) synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.","Pharmacodynamics":"Ibandronate is a nitrogen-containing bisphosphonate in the same class as alendronate and risedronate. Ibandronate inhibits osteoclast-mediated bone resorption. All of the bisphosphonates prevent the breakdown of bone by bone cells called osteoclasts. In persons who are at high risk for osteoporosis, bisphosphonates not only result in increased amounts of bone and bone strength, they also reduce the risk of hip fractures and other bone fractures.","Absorption":"Poorly absorbed (mean bioavailability following a 2.5 mg oral dose is about 0.6% compared to intravenous dosing). Absorption is impaired by any kind of food or drink other than plain water.","Interactions":[{"ID":"DB01370"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00364"}],"Salts":[{"ID":"DBSALT000246","Name":"Ibandronate sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00079","Drugs":["DB00169","DB00710","DB01592","DB02552","DB04540"]}]},{"ID":"DB00711","Name":"Diethylcarbamazine","DrugType":"small molecule","HalfLife":"Approximately 8 hours.","Description":"An anthelmintic used primarily as the citrate in the treatment of filariasis, particularly infestations with Wucheria bancrofti or Loa loa. [PubChem]","Classification":{"Description":"This compound belongs to the piperazine carboxamides. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxamide group.","DirectParent":"Piperazine Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Piperazine Carboxylic Acids and Derivatives"},"Indication":"Used for the treatment of individual patients with certain filarial diseases including tropical pulmonary eosinophilia, loiasis, and lymphatic filariasis caused by infection with \u003ci\u003eWuchereria bancrofti\u003c/i\u003e, \u003ci\u003eBrugia malayi\u003c/i\u003e, or \u003ci\u003eBrugia timori\u003c/i\u003e.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat and mouse is 1400 mg/kg and 660 mg/kg, respectively.","MechanismOfAction":"The mechanism of action of diethylcarbamazine is thought to involve sensitizing the microfilariae to phagocytosis. One study showed that diethylcarbamazine's activity against \u003ci\u003eBrugia malayi\u003c/i\u003e microfilariae is dependent on inducible nitric-oxide synthase and the cyclooxygenase pathway. It confirmed the important role of the arachidonic acid metabolic pathway in diethylcarbamazine's mechanism of action \u003ci\u003ein vivo\u003c/i\u003e and showes that in addition to its effects on the 5-lipoxygenase pathway, it targets the cyclooxygenase pathway and COX-1.","Pharmacodynamics":"Diethylcarbamazine is an anthelmintic drug that does not resemble other antiparasitic compounds. It is a synthetic organic compound which is highly specific for several parasites and does not contain any toxic metallic elements. Diethylcarbamazine continues to be the mainstay for treatment of patients with lymphatic filariasis and loiasis.","Absorption":"Readily absorbed following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000975","Name":"Diethylcarbamazine Citrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00712","Name":"Flurbiprofen","DrugType":"small molecule","HalfLife":"R-flurbiprofen, 4.7 hours; S-flurbiprofen, 5.7 hours","Description":"Flurbiprofen, a propionic acid derivative, is a nonsteroidal anti-inflammatory agent (NSAIA) with antipyretic and analgesic activity. Oral formulations of flurbiprofen may be used for the symptomatic treatment of rheumatoid arthritis, osteoarthritis and anklylosing spondylitis. Flurbiprofen may also be used topically prior to ocular surgery to prevent or reduce intraoperative miosis. Flurbiprofen is structurally and pharmacologically related to fenoprofen, ibuprofen, and ketoprofen.","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"Flurbiprofen tablets are indicated for the acute or long-term symptomatic treatment of rheumatoid arthritis, osteorarthritis and anklosing spondylitis. It may also be used to treat pain associated with dysmenorrhea and mild to moderate pain accompanied by inflammation (e.g. bursitis, tendonitis, soft tissue trauma). Topical ophthalmic formulations may be used pre-operatively to prevent intraoperative miosis. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=10 mg/kg (orally in dogs).\r\n\u003cp\u003eSelective COX-2 inhibitors have been associated with increased risk of serious cardiovascular events (e.g. myocardial infarction, stroke) in some patients. Current data is insufficient to assess the cardiovascular risk of flurbiprofen. Flurbiprofen may increase blood pressure and/or cause fluid retention and edema. Use caution in patients with fluid retention or heart failure. Risk of GI toxicity including bleeding, ulceration and perforation. Risk of direct renal injury, including renal papillary necrosis. Anaphylactoid and serious skin reactions (e.g. exfoliative dermatitis, Stevens-Johnson syndrome, toxic epidermal necrolysis) may occur. Common adverse events include abdominal pain, constipation, diarrhea, dyspepsia, flatulence, GI bleeding, GI perforation, nausea, peptic ulcer, vomiting, renal function abnormalities, anemia, dizziness, edema, liver function test abnormalities, headache, prolonged bleeding time, pruritus, rash, tinnitus. Although rarely documented in the case of flurbiprofen, oral propionic acid derivatives have been associated with a relatively high frequency of allergic reactions.\u003c/p\u003e","MechanismOfAction":"Similar to other NSAIAs, the anti-inflammatory effect of flurbiprofen occurs via reversible inhibition of cyclooxygenase (COX), the enzyme responsible for the conversion of arachidonic acid to prostaglandin G2 (PGG2) and PGG2 to prostaglandin H2 (PGH2) in the prostaglandin synthesis pathway. This effectively decreases the concentration of prostaglandins involved in inflammation, pain, swelling and fever. Flurbiprofen is a non-selective COX inhibitor and inhibits the activity of both COX-1 and -2. It is also one of the most potent NSAIAs in terms of prostaglandin inhibitory activity.","Pharmacodynamics":"Flurbiprofen, a nonsteroidal anti-inflammatory agent (NSAIA) of the propionic acid class, is structually and pharmacologically related to fenoprofen, ibuprofen, and ketoprofen, and has similar pharmacological actions to other prototypica NSAIAs. Flurbiprofen exhibits antiinflammatory, analgesic, and antipyretic activities. The commercially available flurbiprofen is a racemic mixture of (+)S- and (-) R-enantiomers. The S-enantiomer appears to possess most of the anti-inflammatory, while both enantiomers may possess analgesic activity.","Absorption":"Fluribiprofen is rapidly and almost completely absorbed following oral administration. Peak plasma concentrations are reached 0.5 - 4 hours after oral administration. ","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB06781"},{"ID":"DB06210"},{"ID":"DB01381"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB00675"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00440"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000544","Name":"Flurbiprofen Sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00697","Drugs":["DB00142","DB00143","DB00712","DB01373","DB01593","DB04557"]}]},{"ID":"DB00713","Name":"Oxacillin","DrugType":"small molecule","HalfLife":"20 to 30 minutes","Description":"An antibiotic similar to flucloxacillin used in resistant staphylococci infections. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used in the treatment of resistant staphylococci infections.","Toxicity":"","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, Oxacillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Oxacillin interferes with an autolysin inhibitor.","Pharmacodynamics":"Oxacillin is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name \"penicillin\" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Oxacillin has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Oxacillin results from the inhibition of cell wall synthesis and is mediated through Oxacillin binding to penicillin binding proteins (PBPs). Oxacillin is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases.","Absorption":"","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01017"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT000248","Name":"Oxacillin Sodium"},{"ID":"DBSALT000974","Name":"Oxacillin Sodium Monohydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00714","Name":"Apomorphine","DrugType":"small molecule","HalfLife":"40 minutes (range 30 - 60 minutes)","Description":"A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. [PubChem]","Classification":{"Description":"This compound belongs to the aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system.","DirectParent":"Aporphines","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Aporphines","SubClass":""},"Indication":"For the acute, intermittent treatment of hypomobility, off episodes (end-of-dose wearing off and unpredictable on/off episodes) associated with advanced Parkinson's disease.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=0.6 mmoles/kg (mice, intraperitoneal)","MechanismOfAction":"The precise mechanism of action of apomorphine as a treatment for Parkinson's disease is unknown, although it is believed to be due to stimulation of post-synaptic dopamine D2-type receptors within the brain. Apomorphine has been shown to improve motor function in an animal model of Parkinson's disease. In particular, apomorphine attenuates the motor deficits induced by lesions in the ascending nigrostriatal dopaminergic pathway with the neurotoxin 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) in primates.","Pharmacodynamics":"Apomorphine is a type of dopaminergic agonist, a morphine derivative which primarily affects the hypothalamic region of the brain. Drugs containing this substance are sometimes used in the treatment of Parkinson's disease or erectile dysfunction. In higher doses it is a highly effective emetic.","Absorption":"100% following subcutaneous administration","Interactions":[{"ID":"DB06697"},{"ID":"DB00494"},{"ID":"DB06708"},{"ID":"DB01267"},{"ID":"DB00864"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000818","Name":"Apomorphine Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00715","Name":"Paroxetine","DrugType":"small molecule","HalfLife":"21-24 hours","Description":"Paroxetine hydrochloride and paroxetine mesylate belong to a class of antidepressant agents known as selective serotonin-reuptake inhibitors (SSRIs). Despite distinct structural differences between compounds in this class, SSRIs possess similar pharmacological activity. As with other antidepressant agents, several weeks of therapy may be required before a clinical effect is seen. SSRIs are potent inhibitors of neuronal serotonin reuptake. They have little to no effect on norepinephrine or dopamine reuptake and do not antagonize \u0026alpha;- or \u0026beta;-adrenergic, dopamine D\u003csub\u003e2\u003c/sub\u003e or histamine H\u003csub\u003e1\u003c/sub\u003e receptors. During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. Chronic use leads to desensitization of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. The overall clinical effect of increased mood and decreased anxiety is thought to be due to adaptive changes in neuronal function that leads to enhanced serotonergic neurotransmission. Side effects include dry mouth, nausea, dizziness, drowsiness, sexual dysfunction and headache (see Toxicity section below for a complete listing of side effects). Side effects generally occur during the first two weeks of therapy and are usually less severe and frequent than those observed with tricyclic antidepressants. Paroxetine hydrochloride and mesylate are considered therapeutic alternatives rather than generic equivalents by the US Food and Drug Administration (FDA); both agents contain the same active moiety (i.e. paroxetine), but are formulated as different salt forms. Clinical studies establishing the efficacy of paroxetine in various conditions were performed using paroxetine hydrochloride. Since both agents contain the same active moiety, the clinical efficacy of both agents is thought to be similar. Paroxetine may be used to treat major depressive disorder (MDD), panic disorder with or without agoraphobia, obsessive-compulsive disorder (OCD), social anxiety disorder (social phobia), generalized anxiety disorder (GAD), post-traumatic stress disorder (PTSD) and premenstrual dysphoric disorder (PMDD). Paroxetine has the most evidence supporting its use for anxiety-related disorders of the SSRIs. It has the greatest anticholinergic activity of the agents in this class and compared to other SSRIs, paroxetine may cause greater weight gain, sexual dysfunction, sedation and constipation. ","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"Labeled indications include: major depressive disorder (MDD), panic disorder with or without agoraphobia, obsessive-compulsive disorder (OCD), social anxiety disorder (social phobia), generalized anxiety disorder (GAD), post-traumatic stress disorder (PTSD), and premenstrual dysphoric disorder (PMDD). Unlabeled indications include: eating disorders, impulse control disorders, vasomotor symptoms of menopause, obsessive-compulsive disorder (OCD) in children, and mild dementia-associated agitation in nonpsychotic individuals. Brisdelle, which consists of paroxetine mesylate is indicated for the treatment of moderate to severe vasomotor symptoms (like hot flashes) associated with menopause. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=500mg/kg (orally in mice). Symptoms of overdose include: coma, dizziness, drowsiness, facial flushing, nausea, sweating, tremor, vomiting. Side effects include: nervous system effects such as asthenia, somnolence, dizziness, insomnia, tremor, and nervousness; GI effects such as nausea, decreased appetite, constipation, diarrhea, and dry mouth; impotence, ejaculatory dysfunction (principally ejaculatory delay), and other male genital disorders; female genital disorders (principally anorgasmia or difficulty reaching climax/orgasm); and sweating. Discontinuation syndrome may occur with abrupt withdrawal. Symptoms of discontinuation syndrome include flu-like symptoms, insomnia, nausea, imbalance, sensory changes, and hyperactivity. ","MechanismOfAction":"Paroxetine is a potent and highly selective inhibitor of neuronal serotonin reuptake. Paroxetine likely inhibits the reuptake of serotonin at the neuronal membrane, enhances serotonergic neurotransmission by reducing turnover of the neurotransmitter, therefore it prolongs its activity at synaptic receptor sites and potentiates 5-HT in the CNS; paroxetine is more potent than both sertraline and fluoxetine in its ability to inhibit 5-HT reuptake. Compared to the tricyclic antidepressants, SSRIs have dramatically decreased binding to histamine, acetylcholine, and norepinephrine receptors. The mechanism of action for the treatment of vasomotor symptoms is unknown. ","Pharmacodynamics":"Paroxetine, an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) type, has no active metabolites and has the highest specificity for serotonin receptors of all the SSRIs. It is used to treat depression resistant to other antidepressants, depression complicated by anxiety, panic disorder, social and general anxiety disorder, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder, premature ejaculation, and hot flashes of menopause in women with breast cancer. In human platelets, paroxetine blocks the uptake of serotonin. It has weak effects on norepinephrine and dopamine neuronal reuptake. In vitro radioligand binding studies indicate that paroxetine has little affinity for muscarinic alpha1-, alpha2-, beta-adrenergic-, dopamine (D2)-, 5-HT1-, 5-HT2-, and histamine (H1)-receptors. ","Absorption":"Paroxetine hydrochloride is slowly, but completely absorbed following oral administration. Paroxetine mesylate salt is also completely absorbed after oral dosing. The oral bioavailability appears to be low due to extensive first-pass metabolism. Paroxetine hydrochloride oral tablets and suspension are reportedly bioequivalent. Absorption of either salt form is not substantially affected by food. Peak concentrations of Brisbelle (mesylate salt) were reached at 6 hours (3 to 8 hours range). Steady state Cmax was 13.10 ng/mL. The steady state AUC (0-last) was 237 hr*ng/mL. Paroxetine mesylate generally follows non-linear pharmacokinetics because CYP2D6, the enzyme that is part responisible for paroxetine metabolism, is readily saturable. ","Interactions":[{"ID":"DB01418"},{"ID":"DB00918"},{"ID":"DB00182"},{"ID":"DB01125"},{"ID":"DB06216"},{"ID":"DB00289"},{"ID":"DB00865"},{"ID":"DB01136"},{"ID":"DB06700"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00514"},{"ID":"DB00266"},{"ID":"DB00937"},{"ID":"DB01551"},{"ID":"DB00216"},{"ID":"DB00574"},{"ID":"DB00998"},{"ID":"DB00674"},{"ID":"DB01381"},{"ID":"DB04946"},{"ID":"DB01247"},{"ID":"DB01009"},{"ID":"DB00601"},{"ID":"DB00579"},{"ID":"DB00933"},{"ID":"DB01577"},{"ID":"DB00264"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB00497"},{"ID":"DB01579"},{"ID":"DB00780"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB01100"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB01367"},{"ID":"DB00734"},{"ID":"DB00953"},{"ID":"DB01037"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00857"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01600"},{"ID":"DB00932"},{"ID":"DB00500"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00285"},{"ID":"DB00682"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000132","Name":"Paroxetine Hydrochloride "},{"ID":"DBSALT000133","Name":"Paroxetine Mesylate "}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00716","Name":"Nedocromil","DrugType":"small molecule","HalfLife":"~3.3 hours","Description":"A pyranoquinolone derivative that inhibits activation of inflammatory cells which are associated with asthma, including eosinophils, neutrophils, macrophages, mast cells, monocytes, and platelets. [PubChem]","Classification":{"Description":"This compound belongs to the chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene moiety.","DirectParent":"Chromenopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Chromenopyridines"},"Indication":"For the treatment of mild to moderate asthma","Toxicity":"Side effects include headache, nasal congestion, ocular burning, irritation and stinging, unpleasant taste, cough, difficulty breathing, noisy breathing, shortness of breath, tightness in chest, wheezing, conjunctivitis, blurred vision, change in color vision, difficulty seeing at night, increased sensitivity of eyes to sunlight.","MechanismOfAction":"Nedocromil has been shown to inhibit the in vitro activation of, and mediator release from, a variety of inflammatory cell types associated with asthma, including eosinophils, neutrophils, macrophages, mast cells, monocytes, and platelets. Nedocromil inhibits activation and release of inflammatory mediators such as histamine, prostaglandin D2 and leukotrienes c4 from different types of cells in the lumen and mucosa of the bronchial tree. These mediators are derived from arachidonic acid metabolism through the lipoxygenase and cyclo-oxygenase pathways. The mechanism of action of nedocromil may be due partly to inhibition of axon reflexes and release of sensory neuropeptides, such as substance P, neurokinin A, and calcitonin-gene\u0026ntilde;related peptides. The result is inhibition of bradykinin-induced bronchoconstriction. Nedocromil does not posess any bronchodilator, antihistamine, or corticosteroid activity.","Pharmacodynamics":"Nedocromil is a anti-inflammatory agent and can be administered directly to the bronchial mucosa. It has significant inhibitory effect on allergen-induced early and late asthmatic reactions and on bronchial hyperresponsiveness.","Absorption":"Low","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00717","Name":"Norethindrone","DrugType":"small molecule","HalfLife":"8.51 ± 2.19 (when a single dose is given to healthy women) ","Description":"A synthetic progestational hormone with actions similar to those of progesterone but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for contraception. [PubChem]","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"Norethindrone acetate is indicated for the treatment of secondary amenorrhea, endometriosis, and abnormal uterine bleeding due to hormonal imbalance in the absence of organic pathology, such as submucous fibroids or uterine cancer.","Toxicity":"","MechanismOfAction":"Progestins diffuse freely into target cells and bind to the progesterone receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH surge.","Pharmacodynamics":"Norethindrone is a synthetic oral progestin. It is used for contraception or to treat such conditions as secondary amenorrhea, abnormal uterine bleeding, and endometriosis. As an oral contraceptive, norethindrone is available as either a single agent or in combination with an estrogen. Norethindrone acetate induces secretory changes in an estrogen-primed endometrium. On a weight basis, it is twice as potent as norethindrone.","Absorption":"Norethindrone acetate is completely and rapidly deacetylated to norethindrone (NET) after oral administration, and the disposition of norethindrone acetate is indistinguishable from that of orally administered norethindrone. Norethindrone is rapidly absorbed from norethindrone acetate, in which maximum plasma concentration occur 2 hours post-dose (Tmax). When a single dose is given to healthy women, the Cmax is 26.19 ± 6.19 hours. The AUC (0-inf) is 166.90 ± 56.28 ng/mL*h. Absolute oral bioavailability is approximately 64%. The effect of food on the pharmacokinetics of norethindrone acetate is unknown. ","Interactions":[{"ID":"DB00459"},{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB06697"},{"ID":"DB00307"},{"ID":"DB00559"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB00930"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00555"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01132"},{"ID":"DB00794"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB06201"},{"ID":"DB00418"},{"ID":"DB01323"},{"ID":"DB00306"},{"ID":"DB00599"},{"ID":"DB00697"},{"ID":"DB00755"},{"ID":"DB00197"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000129","Name":"Norethindrone Acetate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00718","Name":"Adefovir Dipivoxil","DrugType":"small molecule","HalfLife":"Plasma adefovir concentrations declined in a biexponential manner with a terminal elimination half-life of 7.48 ± 1.65 hours.","Description":"Adefovir dipivoxil, previously called bis-POM PMEA, with trade names Preveon and Hepsera, is an orally-administered acyclic nucleotide analog reverse transcriptase inhibitor (ntRTI) used for treatment of hepatitis B. It is ineffective against HIV-1. [Wikipedia] Adefovir dipivoxil is the diester prodrug of adefovir. ","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For the treatment of chronic hepatitis B in adults with evidence of active viral replication and either evidence of persistent elevations in serum aminotransferases (ALT or AST) or histologically active disease.","Toxicity":"Renal tubular nephropathy characterized by histological alterations and/or increases in BUN and serum creatinine was the primary dose-limiting toxicity associated with administration of adefovir dipivoxil in animals. Nephrotoxicity was observed in animals at systemic exposures approximately 3\u0026ndash;10 times higher than those in humans at the recommended therapeutic dose of 10 mg/day.","MechanismOfAction":"Adefovir dipivoxil is a prodrug of adefovir. Adefovir is an acyclic nucleotide analog of adenosine monophosphate which is phosphorylated to the active metabolite adefovir diphosphate by cellular kinases. Adefovir diphosphate inhibits HBV DNA polymerase (reverse transcriptase) by competing with the natural substrate deoxyadenosine triphosphate and by causing DNA chain termination after its incorporation into viral DNA. The inhibition constant (Ki) for adefovir diphosphate for HBV DNA polymerase was 0.1 \u0026mu;M. Adefovir diphosphate is a weak inhibitor of human DNA polymerases \u0026alpha; and \u0026gamma; with Ki values of 1.18 \u0026mu;M and 0.97\u0026mu;M, respectively.","Pharmacodynamics":"Adefovir dipivoxil a diester prodrug of adefovir. Adefovir is an acyclic nucleotide analog with activity against human hepatitis B virus (HBV). The concentration of adefovir that inhibited 50% of viral DNA synthesis (IC50) in vitro ranged from 0.2 to 2.5 \u0026mu;M in HBV transfected human hepatoma cell lines. The combination of adefovir with lamivudine showed additive anti-HBV activity.","Absorption":"The approximate oral bioavailability of adefovir from HEPSERA is 59%. When a single oral 10 mg dose is given to chronic hepatitis B patients, the peak plasma concentration (Cmax) of adefovir was 18.4 ± 6.26 ng/mL. This occurred between 0.58 - 4 hours post dose (Tmax). The adefovir area under the plasma concentration-time curve (AUC0–∞) was 220 ± 70.0 ng∙h/mL. Food does not affect the exposure of adeforvir. ","Interactions":[{"ID":"DB01610"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00629","Drugs":["DB00718"]}]},{"ID":"DB00719","Name":"Azatadine","DrugType":"small molecule","HalfLife":"","Description":"Antihistamines such as azatadine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release.","Classification":{"Description":"This compound belongs to the benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.","DirectParent":"Benzocycloheptapyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzocycloheptapyridines","SubClass":""},"Indication":"For the relief of the symptoms of upper respiratory mucosal congestion in perennial and allergic rhinitis, and for the relief of nasal congestion and eustachian t.b. congestion.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e in mature rats and mice was greater than 1700 mg/kg and 600 mg/kg, respectively. Symptoms of overdose include clumsiness or unsteadiness, seizures, severe drowsiness, flushing or redness of face, hallucinations, muscle spasms (especially of neck and back), restlessness, shortness of breath, shuffling walk, tic-like (jerky) movements of head and face, trembling and shaking of hands, and insomnia.","MechanismOfAction":"Antihistamines such as azatadine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release.","Pharmacodynamics":"Azatadine is an antihistamine, related to cyproheptadine, with anti-serotonin, anticholinergic (drying), and sedative effects. Azatadine is in the same class of drugs as chlorpromazine (Thorazine) and trifluoperazine (Stelazine); however, unlike the other drugs in this class, azatadine is not used clinically as an anti-psychotic. Antihistamines antagonize the vasodilator effect of endogenously released histamine, especially in small vessels, and mitigate the effect of histamine which results in increased capillary permeability and edema formation. As consequences of these actions, antihistamines antagonize the physiological manifestations of histamine release in the nose following antigen-antibody interaction, such as congestion related to vascular engorgement, mucosal edema, and profuse, watery secretion, and irritation and sneezing resulting from histamine action on afferent nerve terminals.","Absorption":"Well absorbed after oral administration.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"}],"Salts":[{"ID":"DBSALT000973","Name":"Azatadine Maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00720","Name":"Clodronate","DrugType":"small molecule","HalfLife":"Approximately 13 hours.","Description":"A diphosphonate which affects calcium metabolism. It inhibits bone resorption and soft tissue calcification. [PubChem]","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"For the management of hypercalcemia of malignancy and as an adjunct in the management of osteolysis resulting from bone metastases of malignant tumors.","Toxicity":"Decreases in serum calcium following substantial overdosage may be expected in some patients. Signs and symptoms of hypocalcemia also may occur in some of these patients.","MechanismOfAction":"The bisphosphonate group binds strongly to the bone mineral, hydroxyapatite. This explains the specific pharmacological action of these compounds on mineralized tissues, especially bone. The exact mechanism of action of clodronate is not known, however it is known that it does not inhibit protein isoprenylation but can be metabolized intracellularly to a \u0026beta;-\u0026gamma;-methylene (AppCp-type) analog of ATP (AppCCl2p), which is cytotoxic to macrophages in vitro. Inhibition of the ADP/ATP translocase by the metabolite AppCCl2p is a likely route by which clodronate causes osteoclast apoptosis and inhibits bone resorption. Recently, the slime mold \u003ci\u003eDictyostelium discoideum\u003c/i\u003e was shown to take up bisphosphonates by pinocytosis. In these cells, clodronate, but not other pharmacologically active bisphosphonates, was incorporated into adenine nucleotides, which could potentially explain why this bisphosphonate sometimes seems to act differently than the other bisphosphonates. Clodronate, like all biphosphonates, also binds protein-tyrosine-phosphatase.","Pharmacodynamics":"Clodronate is a first generation (non-nitrogenous) bisphosphonate in the same family as etidronate and tiludronate. Clodronate affects calcium metabolism and inhibits bone resorption and soft tissue calcification. Of the clodronate that is resorbed (from oral preparation) or infused (for intravenous drugs), about 50% is excreted unchanged by the kidney. The remainder has a very high affinity for bone tissue, and is rapidly absorbed onto the bone surface. Clodronate has been shown to prevent or delay skeletal-related events and decrease bone pain as well as normalize calcium levels in the presence of hypercalcemia.","Absorption":"After oral administration, absorption is estimated at 1\u0026ndash;3% of the ingested dose because of the low uptake from the gastrointestinal tract.","Interactions":[{"ID":"DB01370"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB01375"},{"ID":"DB01196"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00364"}],"Salts":[{"ID":"DBSALT000972","Name":"Disodium clodronate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00721","Name":"Procaine","DrugType":"small molecule","HalfLife":"7.7 minutes","Description":"A local anesthetic of the ester type that has a slow onset and a short duration of action. It is mainly used for infiltration anesthesia, peripheral nerve block, and spinal block. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1016). [PubChem]","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Used as a local anesthetic primarily in oral surgery","Toxicity":"","MechanismOfAction":"Procaine acts mainly by inhibiting sodium influx through voltage gated sodium channels in the neuronal cell membrane of peripheral nerves. When the influx of sodium is interrupted, an action potential cannot arise and signal conduction is thus inhibited. The receptor site is thought to be located at the cytoplasmic (inner) portion of the sodium channel. Procaine has also been shown to bind or antagonize the function of N-methyl-D-aspartate (NMDA) receptors as well as nicotinic acetylcholine receptors and the serotonin receptor-ion channel complex.","Pharmacodynamics":"Procaine is an anesthetic agent indicated for production of local or regional anesthesia, particularly for oral surgery. Procaine (like cocaine) has the advantage of constricting blood vessels which reduces bleeding, unlike other local anesthetics like lidocaine. Procaine is an ester anesthetic. It is metabolized in the plasma by the enzyme pseudocholinesterase through hydrolysis into para-aminobenzoic acid (PABA), which is then excreted by the kidneys into the urine.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000551","Name":"Procaine Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00402","Drugs":["DB00368","DB00721","DB00988","DB01345","DB01373"]}]},{"ID":"DB00722","Name":"Lisinopril","DrugType":"small molecule","HalfLife":"Effective half life of accumulation following multiple dosing is 12 hours. ","Description":"Lisinopril is a potent, competitive inhibitor of angiotensin-converting enzyme (ACE), the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Lisinopril may be used to treat hypertension and symptomatic congestive heart failure, to improve survival in certain individuals following myocardial infarction, and to prevent progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy. ","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of hypertension and symptomatic congestive heart failure. May be used in conjunction with thrombolytic agents, aspirin and/or \u0026beta;-blockers to improve survival in hemodynamically stable individuals following myocardial infarction. May be used to slow the progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy. ","Toxicity":"Symptoms of overdose include severe hypotension, electrolyte disturbances, and renal failure. LD\u003csub\u003e50\u003c/sub\u003e= 2000 mg/kg(orally in rat). Most frequent adverse effects include headache, dizziness, cough, fatigue and diarrhea. ","MechanismOfAction":"There are two isoforms of ACE: the somatic isoform, which exists as a glycoprotein comprised of a single polypeptide chain of 1277; and the testicular isoform, which has a lower molecular mass and is thought to play a role in sperm maturation and binding of sperm to the oviduct epithelium. Somatic ACE has two functionally active domains, N and C, which arise from tandem gene duplication. Although the two domains have high sequence similarity, they play distinct physiological roles. The C-domain is predominantly involved in blood pressure regulation while the N-domain plays a role in hematopoietic stem cell differentiation and proliferation. ACE inhibitors bind to and inhibit the activity of both domains, but have much greater affinity for and inhibitory activity against the C-domain. Lisinopril, one of the few ACE inhibitors that is not a prodrug, competes with ATI for binding to ACE and inhibits and enzymatic proteolysis of ATI to ATII. Decreasing ATII levels in the body decreases blood pressure by inhibiting the pressor effects of ATII as described in the Pharmacology section above. Lisinopril also causes an increase in plasma renin activity likely due to a loss of feedback inhibition mediated by ATII on the release of renin and/or stimulation of reflex mechanisms via baroreceptors. ","Pharmacodynamics":"Lisinopril is an orally active ACE inhibitor that antagonizes the effect of the RAAS. The RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from the granular cells of the juxtaglomerular apparatus in the kidneys. In the blood stream, renin cleaves circulating angiotensinogen to ATI, which is subsequently cleaved to ATII by ACE. ATII increases blood pressure using a number of mechanisms. First, it stimulates the secretion of aldosterone from the adrenal cortex. Aldosterone travels to the distal convoluted tubule (DCT) and collecting tubule of nephrons where it increases sodium and water reabsorption by increasing the number of sodium channels and sodium-potassium ATPases on cell membranes. Second, ATII stimulates the secretion of vasopressin (also known as antidiuretic hormone or ADH) from the posterior pituitary gland. ADH stimulates further water reabsorption from the kidneys via insertion of aquaporin-2 channels on the apical surface of cells of the DCT and collecting tubules. Third, ATII increases blood pressure through direct arterial vasoconstriction. Stimulation of the Type 1 ATII receptor on vascular smooth muscle cells leads to a cascade of events resulting in myocyte contraction and vasoconstriction. In addition to these major effects, ATII induces the thirst response via stimulation of hypothalamic neurons. ACE inhibitors inhibit the rapid conversion of ATI to ATII and antagonize RAAS-induced increases in blood pressure. ACE (also known as kininase II) is also involved in the enzymatic deactivation of bradykinin, a vasodilator. Inhibiting the deactivation of bradykinin increases bradykinin levels and may further sustain the effects of lisinopril by causing increased vasodilation and decreased blood pressure.","Absorption":"Approximately 25%, but widely variable between individuals (6 to 60%) in all doses tested (5-80 mg); absorption is unaffected by food","Interactions":[{"ID":"DB00594"},{"ID":"DB08822"},{"ID":"DB01395"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00697"},{"ID":"DB00684"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00723","Name":"Methoxamine","DrugType":"small molecule","HalfLife":"","Description":"An alpha-adrenergic agonist that causes prolonged peripheral vasoconstriction. It has little if any direct effect on the central nervous system. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Indicated for the treatment and management of hypotension.","Toxicity":"","MechanismOfAction":"Methoxamine acts through peripheral vasoconstriction by acting as a pure alpha-1 adrenergic receptor agonist, consequently increasing systemic blood pressure (both systolic and diastolic).","Pharmacodynamics":"Methoxamine is a potent sympathomimetic amine that increases both systolic and diastolic blood pressure. Methoxamine is indicated for prevention and treatment of the acute hypotensive state occurring with spinal anesthesia. It is also indicated as adjunctive treatment of hypotension due to hemorrhage, reactions to medications, surgical complications, and shock associated with brain damage due to trauma or tumor. Methoxamine acts on both \u0026alpha;1-adrenergic receptors but appears to have no effect on \u0026beta;-adrenergic receptors. It acts by increasing the force of the heart's pumping action as well as constricting peripheral blood vessels.","Absorption":"","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00752"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT000971","Name":"Methoxamine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00724","Name":"Imiquimod","DrugType":"small molecule","HalfLife":"20 hours (topical dose), 2 hours (subcutaneous dose)","Description":"Imiquimod is an immune response modifier that acts as a toll-like receptor 7 agonist. Imiquimod is commonly used topically to treat warts on the skin of the genital and anal areas. Imiquimod does not cure warts, and new warts may appear during treatment. Imiquimod does not fight the viruses that cause warts directly, however, it does help to relieve and control wart production. Miquimod is also used to treat a skin condition of the face and scalp called actinic keratoses and certain types of skin cancer called superficial basal cell carcinoma.","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"For the topical treatment of clinically typical, nonhyperkeratotic, nonhypertrophic actinic keratoses on the face or scalp in immunocompetent adults. Also indicated for the treatment of external genital and perianal warts/condyloma acuminata in individuals 12 years old and above.","Toxicity":"Symptoms of overdose include flu-like symptoms, such as fever, fatigue, headache, nausea, diarrhoea and muscle pain.","MechanismOfAction":"Imiquimod's mechanism of action is via stimulation of innate and acquired immune responses, which ultimately leads to inflammatory cell infiltration within the field of drug application followed by apoptosis of diseased tissue. Imiquimod does not have direct antiviral activity. Studies of mice show that imiquimod may induce cytokines, including interferon-alpha (IFNA) as well as several IFNA genes (IFNA1, IFNA2, IFNA5, IFNA6, and IFNA8) as well as the IFNB gene. Imiquimod also induced the expression of interleukin (IL)-6, IL-8, and tumor necrosis factor alpha genes. In the treatment of basal cell carcinoma, Imiquimod appears to act as a toll-like receptor-7 agonist, and is thought to exert its anti-tumor effect via modification of the immune response and stimulation of apoptosis in BCC cells. In treating basal cell carcinoma it may increase the infiltration of lymphocytes, dendritic cells, and macrophages into the tumor lesion.","Pharmacodynamics":"Imiquimod is an immune response modifier that acts as a toll-like receptor 7 agonist. Imiquimod is commonly used topically to treat warts on the skin of the genital and anal areas. Imiquimod does not cure warts, and new warts may appear during treatment. Imiquimod does not fight the viruses that cause warts directly, however, it does help to relieve and control wart production. It is not used on warts inside the vagina, penis, or rectum. Imiquimod is also used to treat a skin condition of the face and scalp called actinic keratoses. Imiquimod can also be used to treat certain types of skin cancer called superficial basal cell carcinoma. Imiquimod is particularly useful on areas where surgery or other treatments may be difficult, complicated or otherwise undesirable, especially the face and lower legs.","Absorption":"Well absorbed through skin (as a cream)","Interactions":null,"Salts":[{"ID":"DBSALT000970","Name":"Imiquimod acetate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00725","Name":"Homatropine Methylbromide","DrugType":"small molecule","HalfLife":"","Description":"Homatropine methylbromide is a quaternary ammonium muscarinic acetylcholine receptor antagonist belonging to the group of medicines called anti-muscarinics. Homatropine is used to treat duodenal or stomach ulcers or intestine problems. It can be used together with antacids or other medicine in the treatment of peptic ulcer. It may also be used to prevent nausea, vomiting, and motion sickness.","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"Used in conjunction with antacids or histamine H2-receptor antagonists in the treatment of peptic ulcers, gastric ulcers and duodenal ulcers, to reduce further gastric acid secretion and delay gastric emptying.","Toxicity":"","MechanismOfAction":"Homatropine is a quaternary ammonium muscarinic acetylcholine receptor antagonist. The muscarinic acetylcholine receptor mediates various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins. Homatropine methylbromide inhibits the muscarinic actions of acetylcholine on structures innervated by postganglionic cholinergic nerves as well as on smooth muscles that respond to acetylcholine but lack cholinergic innervation. These postganglionic receptor sites are present in the autonomic effector cells of the smooth muscle, cardiac muscle, sinoatrial and atrioventricular nodes, and exocrine glands. Depending on the dose, anticholinergics may reduce the motility and secretory activity of the gastrointestinal system, and the tone of the ureter and urinary bladder and may have a slight relaxant action on the bile ducts and gallbladder.","Pharmacodynamics":"Homatropine methylbromide belongs to the group of medicines called anti-muscarinics. Homatropine is used to treat duodenal or stomach ulcers or intestine problems. It can be used together with antacids or other medicine in the treatment of peptic ulcer. It may also be used to prevent nausea, vomiting, and motion sickness.","Absorption":"","Interactions":[{"ID":"DB00502"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00726","Name":"Trimipramine","DrugType":"small molecule","HalfLife":"11-18 hrs","Description":"Tricyclic antidepressant similar to imipramine, but with more antihistaminic and sedative properties. [PubChem]","Classification":{"Description":"This compound belongs to the dibenzazepines. These are compounds with two benzene rings connected by an azepine ring.","DirectParent":"Dibenzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":"Dibenzazepines"},"Indication":"For the treatment of depression and depression accompanied by anxiety, agitation or sleep disturbance","Toxicity":"Side effects include agitation, coma, confusion, convulsions, dilated pupils, disturbed concentration, drowsiness, hallucinations, high fever, irregular heart rate, low body temperature, muscle rigidity, overactive reflexes, severely low blood pressure, stupor, vomiting","MechanismOfAction":"Trimipramine's mechanism of action differs from other tricyclic antidepressants. Trimipramine acts by decreasing the reuptake of norepinephrine and serotonin (5-HT).","Pharmacodynamics":"Trimipramine is a tricyclic antidepressant. It was thought that tricyclic antidepressants work by inhibiting the re-uptake of the neurotransmitters norepinephrine and serotonin by nerve cells. However, this response occurs immediately, yet mood does not lift for around two weeks. It is now thought that changes occur in receptor sensitivity in the cerebral cortex and hippocampus. The hippocampus is part of the limbic system, a part of the brain involved in emotions. Presynaptic receptors are affected: a1 and b1 receptors are sensitized, a2 receptors are desensitised (leading to increased noradrenaline production). Tricyclics are also known as effective analgesics for different types of pain, especially neuropathic or neuralgic pain. A precise mechanism for their analgesic action is unknown, but it is thought that they modulate anti-pain opioid systems in the CNS via an indirect serotonergic route. They are also effective in migraine prophylaxis, but not in abortion of acute migraine attack. The mechanism of their anti-migraine action is also thought to be serotonergic.","Absorption":"Rapid absorption","Interactions":[{"ID":"DB00106"},{"ID":"DB00918"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB01351"},{"ID":"DB00543"},{"ID":"DB00701"},{"ID":"DB01169"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB01200"},{"ID":"DB00490"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00248"},{"ID":"DB00477"},{"ID":"DB00501"},{"ID":"DB01012"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00575"},{"ID":"DB00907"},{"ID":"DB01264"},{"ID":"DB01254"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB00633"},{"ID":"DB00514"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00757"},{"ID":"DB01184"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00450"},{"ID":"DB00476"},{"ID":"DB00216"},{"ID":"DB00668"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB01288"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB00529"},{"ID":"DB00998"},{"ID":"DB00614"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB01241"},{"ID":"DB00365"},{"ID":"DB00629"},{"ID":"DB01170"},{"ID":"DB01018"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB00308"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00224"},{"ID":"DB01247"},{"ID":"DB00951"},{"ID":"DB00270"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB00601"},{"ID":"DB01356"},{"ID":"DB01601"},{"ID":"DB00408"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00358"},{"ID":"DB01365"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB00474"},{"ID":"DB00723"},{"ID":"DB00353"},{"ID":"DB01110"},{"ID":"DB00211"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB00745"},{"ID":"DB00218"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB04868"},{"ID":"DB00368"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00104"},{"ID":"DB00338"},{"ID":"DB00816"},{"ID":"DB00715"},{"ID":"DB00738"},{"ID":"DB00312"},{"ID":"DB00556"},{"ID":"DB01186"},{"ID":"DB00454"},{"ID":"DB00780"},{"ID":"DB01174"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01100"},{"ID":"DB01263"},{"ID":"DB01278"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01168"},{"ID":"DB01069"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB00852"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB00243"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00734"},{"ID":"DB00503"},{"ID":"DB00953"},{"ID":"DB00118"},{"ID":"DB01232"},{"ID":"DB00418"},{"ID":"DB01037"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB06268"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB01268"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00599"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00208"},{"ID":"DB00697"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000969","Name":"Trimipramine maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00727","Name":"Nitroglycerin","DrugType":"small molecule","HalfLife":"3 minutes","Description":"A volatile vasodilator which relieves angina pectoris by stimulating guanylate cyclase and lowering cytosolic calcium. [PubChem]","Classification":{"Description":"This compound belongs to the organic nitrates. These are organic compounds containing the nitrate oxoanion, with the formula NO3-.","DirectParent":"Organic Nitrates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Nitrates"},"Indication":"For the prevention of angina","Toxicity":"Increased intracranial pressure, with any or all of persistent throbbing headache, confusion, and moderate fever; Vertigo; Palpitations; Visual disturbances; Nausea and vomiting (possibly with colic and even bloody diarrhea); Syncope (especially in the upright posture); Air hunger and dyspnea, later followed by reduced ventilatory effort; Diaphoresis, with the skin either flushed or cold and clammy; Heart block and bradycardia; Paralysis; Coma; Seizures; Death.","MechanismOfAction":"Similar to other nitrites and organic nitrates, nitroglycerin is converted to nitric oxide (NO), an active intermediate compound which activates the enzyme guanylate cyclase. This stimulates the synthesis of cyclic guanosine 3',5'-monophosphate (cGMP) which then activates a series of protein kinase-dependent phosphorylations in the smooth muscle cells, eventually resulting in the dephosphorylation of the myosin light chain of the smooth muscle fiber. The subsequent release of calcium ions results in the relaxation of the smooth muscle cells and vasodilation.","Pharmacodynamics":"Nitroglycerin, an organic nitrate, is available in many forms as a vasodilator. Nitroglycerin is used in the treatement of angina pectoris and perioperative hypertension, to produce controlled hypotension during surgical procedures, to treat hypertensive emergencies, and to treat congestive heart failure associated with myocardial infarction.","Absorption":"","Interactions":[{"ID":"DB00009"},{"ID":"DB06237"},{"ID":"DB08822"},{"ID":"DB00320"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB00203"},{"ID":"DB00820"},{"ID":"DB00374"},{"ID":"DB06267"},{"ID":"DB00862"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00728","Name":"Rocuronium","DrugType":"small molecule","HalfLife":"The rapid distribution half-life is 1-2 minutes and the slower distribution half-life is 14-18 minutes. Renal impairment has no net effect on half-life, however, half-life is almost doubled in patients with impaired liver function.","Description":"Rocuronium (rapid onset-curonium) is a desacetoxy analogue of vecuronium with a more rapid onset of action. It is an aminosteroid non-depolarizing neuromuscular blocker or muscle relaxant used in modern anaesthesia, to facilitate endotracheal intubation and to provide skeletal muscle relaxation during surgery or mechanical ventilation.\r\nIntroduced in 1994, rocuronium has rapid onset, and intermediate duration of action. It is marketed under the trade name of Zemuron in the United States and Esmeron in most other countries.\r\nThere is considered to be a risk of allergic reaction to the drug in some patients (particularly those with asthma), but a similar incidence of allergic reactions has been observed by using other members of the same drug class (non-depolarizing neuromuscular blocking drugs). The γ-cyclodextrin derivative sugammadex (trade name Bridion) has been recently introduced as a novel agent to reverse the action of rocuronium.","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"For inpatients and outpatients as an adjunct to general anesthesia to facilitate both rapid sequence and routine tracheal intubation, and to provide skeletal muscle relaxation during surgery or mechanical ventilation.","Toxicity":"No cases of significant accidental or intentional overdose have been reported. Overdosage with neuromuscular blocking agents may result in neuromuscular block beyond the time needed for surgery and anesthesia.","MechanismOfAction":"Rocuronium acts by competing for cholinergic receptors at the motor end-plate. This action is antagonized by acetylcholinesterase inhibitors, such as neostigmine and edrophonium. Rocuronium acts by competitively binding to nicotinic cholinergic receptors. The binding of vecuronium decreases the opportunity for acetylcholine to bind to the nicotinic receptor at the postjunctional membrane of the myoneural junction. As a result, depolarization is prevented, calcium ions are not released and muscle contraction does not occur. Evidence also suggests that nondepolarizing agents can affect ACh release. It has been hypothesized that nondepolarzing agents bind to postjunctional (\"curare\") receptors and may therefore interfere with the sodium and potassium flux, which is responsible for depolarization and repolarization of the membranes involved in muscle contraction. ","Pharmacodynamics":"Neuromuscular blocking agents are drugs that cause skeletal muscle relaxation primarily by causing a decreased response to the neurotransmitter acetylcholine (ACh) at the myoneural (neuromuscular) junction of skeletal muscle. At that site, ACh normally produces electrical depolarization of the postjunctional membrane of motor end-plate, which leads to conduction of muscle action potential and subsequently induces skeletal muscle contraction. Neuromuscular agents are classified as depolarizing or nondepolarizing. Rocuronium is a nondepolarizing neuromuscular blocking agent with a rapid to intermediate onset depending on dose and intermediate duration. Rocuronium, like vecuronium is longer acting in infants than in children. However, unlike vecuronium, rocuronium retains the characteristics of an intermediate-acting NMBD in infants.","Absorption":"Poorly absorbed from the GI tract.","Interactions":[{"ID":"DB00479"},{"ID":"DB01190"},{"ID":"DB01111"},{"ID":"DB00798"},{"ID":"DB01627"},{"ID":"DB00955"},{"ID":"DB00319"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000575","Name":"Rocuronium bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00729","Name":"Diphemanil Methylsulfate","DrugType":"small molecule","HalfLife":"","Description":"Diphemanil Methylsulfate is a quaternary ammonium anticholinergic. It binds muscarinic acetycholine receptors and thereby decreases secretory excretion of stomach acids as well as saliva and sweat.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in the treatment of peptic ulcer, gastric hyperacidity, and hypermotility in gastritis and pylorospasm, and in the treatment of hyperhidrosis (excessive perspiration).","Toxicity":"","MechanismOfAction":"Diphemanil Methylsulfate exerts its action by primarily binding the muscarinic M3 receptor. M3 receptors are located in the smooth muscles of the blood vessels, as well as in the lungs. This means they cause vasodilation and bronchoconstriction. They are also in the smooth muscles of the gastrointestinal tract (GIT), which help in increasing intestinal motility and dilating sphincters. The M3 receptors are also located in many glands which help to stimulate secretion in salivary glands and other glands of the body.","Pharmacodynamics":"Diphemanil Methylsulfate is a quaternary ammonium anticholinergic. It binds muscarinic acetycholine receptors and thereby decreases secretory excretion of stomach acids as well as saliva and sweat.","Absorption":"Poorly absorbed from the gastrointestinal tract with an absolute bioavailability of 15 to 25%.","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00730","Name":"Thiabendazole","DrugType":"small molecule","HalfLife":"The half-life for thiabendazole in both normal and anephric patients is 1.2 hours (range 0.9 to 2 hours). The half-life for the 5-hydroxythiabendazole metabolite in both normal and anephric patients is 1.7 hours (range 1.4 to 2 hours).","Description":"2-Substituted benzimidazole first introduced in 1962. It is active against a variety of nematodes and is the drug of choice for strongyloidiasis. It has CNS side effects and hepatototoxic potential. (From Smith and Reynard, Textbook of Pharmacology, 1992, p919)","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"For the treatment of strongyloidiasis (threadworm), cutaneous larva migrans (creeping eruption), visceral larva migrans, and trichinosis.","Toxicity":"Overdosage may be associated with transient disturbances of vision and psychic alterations. The oral LD 50 is 3.6 g/kg, 3.1 g/kg and 3.8 g/kg in the mouse, rat, and rabbit respectively.","MechanismOfAction":"The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase.","Pharmacodynamics":"Thiabendazole is a fungicide and parasiticide. Thiabendazole is also a chelating agent, which means that it is used medicinally to bind metals in cases of metal poisoning, such as lead poisoning, mercury poisoning or antimony poisoning. Thiabendazole is vermicidal and/or vermifugal against \u003ci\u003eAscaris lumbricoides\u003c/i\u003e (\"common roundworm\"), \u003ci\u003eStrongyloides stercoralis\u003c/i\u003e (threadworm), \u003ci\u003eNecator americanus\u003c/i\u003e, \u003ci\u003eAncylostoma duodenale\u003c/i\u003e (hookworm), \u003ci\u003eTrichuris trichiura\u003c/i\u003e (whipworm), \u003ci\u003eAncylostoma braziliense\u003c/i\u003e (dog and cat hookworm), \u003ci\u003eToxocara canis\u003c/i\u003e, \u003ci\u003eToxocara cati\u003c/i\u003e (ascarids), and \u003ci\u003eEnterobius vermicularis\u003c/i\u003e (pinworm). Thiabendazole also suppresses egg and/or larval production and may inhibit the subsequent development of those eggs or larvae which are passed in the feces.","Absorption":"Rapidly absorbed and peak plasma concentration is reached within 1 to 2 hours after the oral administration of a suspension. Some systemic absorption may occur from topical preparations applied to the skin.","Interactions":[{"ID":"DB01418"},{"ID":"DB00969"},{"ID":"DB01223"},{"ID":"DB00195"},{"ID":"DB00201"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB00924"},{"ID":"DB00851"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00499"},{"ID":"DB00176"},{"ID":"DB00629"},{"ID":"DB01303"},{"ID":"DB00980"},{"ID":"DB00382"},{"ID":"DB00277"},{"ID":"DB01623"},{"ID":"DB00697"},{"ID":"DB00831"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00731","Name":"Nateglinide","DrugType":"small molecule","HalfLife":"1.5 hours","Description":"Nateglinide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the meglitinide class of short-acting insulin secretagogues, which act by binding to β cells of the pancreas to stimulate insulin release. Nateglinide is an amino acid derivative that induces an early insulin response to meals decreasing postprandial blood glucose levels. It should only be taken with meals and meal-time doses should be skipped with any skipped meal. Approximately one month of therapy is required before a decrease in fasting blood glucose is seen. Meglitnides may have a neutral effect on weight or cause a slight increase in weight. The average weight gain caused by meglitinides appears to be lower than that caused by sulfonylureas and insulin and appears to occur only in those naïve to oral antidiabetic agents. Due to their mechanism of action, meglitinides may cause hypoglycemia although the risk is thought to be lower than that of sulfonylureas since their action is dependent on the presence of glucose. In addition to reducing postprandial and fasting blood glucose, meglitnides have been shown to decrease glycosylated hemoglobin (HbA1c) levels, which are reflective of the last 8-10 weeks of glucose control. Meglitinides appear to be more effective at lowering postprandial blood glucose than metformin, sulfonylureas and thiazolidinediones. Nateglinide is extensively metabolized in the liver and excreted in urine (83%) and feces (10%). The major metabolites possess less activity than the parent compound. One minor metabolite, the isoprene, has the same potency as its parent compound. ","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of non-insulin dependent-diabetes mellitus in conjunction with diet and exercise.","Toxicity":"An overdose may result in an exaggerated glucose-lowering effect with the development of hypoglycemic symptoms.","MechanismOfAction":"Nateglinide activity is dependent on the presence functioning β cells and glucose. In contrast to sulfonylurea insulin secretatogogues, nateglinide has no effect on insulin release in the absence of glucose. Rather, it potentiates the effect of extracellular glucose on ATP-sensitive potassium channel and has little effect on insulin levels between meals and overnight. As such, nateglinide is more effective at reducing postprandial blood glucose levels than fasting blood glucose levels and requires a longer duration of therapy (approximately one month) before decreases in fasting blood glucose are observed. The insulinotropic effects of nateglinide are highest at intermediate glucose levels (3 to 10 mmol/L) and it does not increase insulin release already stimulated by high glucose concentrations (greater than 15 mmol/L). Nateglinide appears to be selective for pancreatic β cells and does not appear to affect skeletal or cardiac muscle or thyroid tissue.","Pharmacodynamics":"Insulin secretion by pancreatic β cells is partly controlled by cellular membrane potential. Membrane potential is regulated through an inverse relationship between the activity of cell membrane ATP-sensitive potassium channels (ABCC8) and extracellular glucose concentrations. Extracellular glucose enters the cell via GLUT2 (SLC2A2) transporters. Once inside the cell, glucose is metabolized to produce ATP. High concentrations of ATP inhibit ATP-sensitive potassium channels causing membrane depolarization. When extracellular glucose concentrations are low, ATP-sensitive potassium channels open causing membrane repolarization. High glucose concentrations cause ATP-sensitive potassium channels to close resulting in membrane depolarization and opening of L-type calcium channels. The influx of calcium ions stimulates calcium-dependent exocytosis of insulin granules. Nateglinide increases insulin release by inhibiting ATP-sensitive potassium channels in a glucose-dependent manner. ","Absorption":"Rapidly absorbed following oral administration prior to a meal, absolute bioavailability is estimated to be approximately 73%. Peak plasma concentrations generally occur within 1 hour of oral administration. Onset of action is \u003c20 minutes and the duration of action is approximately 4 hours. ","Interactions":[{"ID":"DB01296"},{"ID":"DB00052"},{"ID":"DB00976"},{"ID":"DB01124"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000922","Name":"SDZ-DJN 608"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00453","Drugs":["DB00731","DB01345","DB01373"]}]},{"ID":"DB00732","Name":"Atracurium","DrugType":"small molecule","HalfLife":"The elimination half-life is approximately 20 minutes.","Description":"A non-depolarizing neuromuscular blocking agent with short duration of action. Its lack of significant cardiovascular effects and its lack of dependence on good kidney function for elimination provide clinical advantage over alternate non-depolarizing neuromuscular blocking agents. [PubChem]","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"For use, as an adjunct to general anesthesia, to facilitate endotracheal intubation and to provide skeletal muscle relaxation during surgery or mechanical ventilation.","Toxicity":"Excessive doses can be expected to produce enhanced pharmacological effects. Overdosage may increase the risk of histamine release and cardiovascular effects, especially hypotension.","MechanismOfAction":"Atracurium antagonizes the neurotransmitter action of acetylcholine by binding competitively with cholinergic receptor sites on the motor end-plate. This antagonism is inhibited, and neuromuscular block reversed, by acetylcholinesterase inhibitors such as neostigmine, edrophonium, and pyridostigmine.","Pharmacodynamics":"Atracurium is a nondepolarizing skeletal muscle relaxant. Atracurium can be used most advantageously if muscle twitch response to peripheral nerve stimulation is monitored to assess degree of muscle relaxation. The duration of neuromuscular block produced by Atracurium is approximately one third to one half the duration of block by d-tubocurarine, metocurine, and pancuronium at initially equipotent doses. As with other nondepolarizing neuromuscular blockers, the time to onset of paralysis decreases and the duration of maximum effect increases with increasing doses of Atracurium. Repeated administration of maintenance doses of Atracurium has no cumulative effect on the duration of neuromuscular block if recovery is allowed to begin prior to repeat dosing. Moreover, the time needed to recover from repeat doses does not change with additional doses. Repeat doses can therefore be administered at relatively regular intervals with predictable results.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB01223"},{"ID":"DB00993"},{"ID":"DB00564"},{"ID":"DB01190"},{"ID":"DB01111"},{"ID":"DB01320"},{"ID":"DB00798"},{"ID":"DB01627"},{"ID":"DB01033"},{"ID":"DB00955"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00277"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00733","Name":"Pralidoxime","DrugType":"small molecule","HalfLife":"74-77 minutes","Description":"Pralidoxime is an antidote to organophosphate pesticides and chemicals. Organophosphates bind to the esteratic site of acetylcholinesterase, which results initially in reversible inactivation of the enzyme. If given within 24 hours,after organophosphate exposure, pralidoxime reactivates the enzyme cholinesterase by cleaving the phosphate-ester bond formed between the organophosphate and acetylcholinesterase.","Classification":{"Description":"This compound belongs to the pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.","DirectParent":"Pyridinium Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinium Derivatives"},"Indication":"For the treatment of poisoning due to those pesticides and chemicals of the organophosphate class which have anticholinesterase activity and in the control of overdosage by anticholinesterase drugs used in the treatment of myasthenia gravis.","Toxicity":"","MechanismOfAction":"Pralidoxime is an antidote to organophosphate pesticides and chemicals. Organophosphates bind to the esteratic site of acetylcholinesterase, which results initially in reversible inactivation of the enzyme. Acetylcholinesterase inhibition causes acetylcholine to accumulate in synapses, producing continuous stimulation of cholinergic fibers throughout the nervous systems. If given within 24 hours after organophosphate exposure, pralidoxime reactivates the acetylcholinesterase by cleaving the phosphate-ester bond formed between the organophosphate and acetylcholinesterase.","Pharmacodynamics":"Pralidoxime is to reactivate cholinesterase (mainly outside of the central nervous system) which has been inactivated by phosphorylation due to an organophosphate pesticide or related compound. The destruction of accumulated acetylcholine can then proceed, and neuromuscular junctions will again function normally. Pralidoxime also slows the process of \"aging\" of phosphorylated cholinesterase to a nonreactivatable form, and detoxifies certain organophosphates by direct chemical reaction. The drug has its most critical effect in relieving paralysis of the muscles of respiration. Because pralidoxime is less effective in relieving depression of the respiratory center, atropine is always required concomitantly to block the effect of accumulated acetylcholine at this site. Pralidoxime relieves muscarinic signs and symptoms, salivation, bronchospasm, etc., but this action is relatively unimportant since atropine is adequate for this purpose.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000242","Name":"Pralidoxime Chloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00734","Name":"Risperidone","DrugType":"small molecule","HalfLife":"20-24 hours","Description":"Risperidone, a benzisoxazole derivative, is an atypical antipsychotic drug with high affinity for 5-hydrotryptamine (5-HT) and dopamine D2 receptors. It is used primarily in the management of schizophrenia, inappropriate behavior in severe dementia and manic episodes associated with bipolar I disorder. Risperidone is effective for treating the positive and negative symptoms of schizophrenia owing to its affinity for its “loose” binding affinity for dopamine D2 receptors and additional 5-HT antagonism compared to first generation antipsychotics, which are strong, non-specific dopamine D2 receptor antagonists.","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"For the treatment of schizophrenia in adults and in adolescents, ages 13 to 17, and for the short-term treatment of manic or mixed episodes of bipolar I disorder in children and adolescents ages 10 to 17. May also be used to manage symptoms of inappropriate behavior due to aggression and/or psychosis in patients with severe dementia. ","Toxicity":"Symptoms of overdose include drowsiness, sedation, tachycardia, hypotension, and extrapyramidal symptoms. LD\u003csub\u003e50\u003c/sub\u003e=82.1mg/kg (orally in mice). ","MechanismOfAction":"Blockade of dopaminergic D2 receptors in the limbic system alleviates positive symptoms of schizophrenia such as hallucinations, delusions, and erratic behavior and speech. Blockade of serotonergic 5-HT\u003csub\u003e2\u003c/sub\u003e receptors in the mesocortical tract, causes an excess of dopamine and an increase in dopamine transmission, resulting in an increase in dopamine transmission and an elimination of core negative symptoms. Dopamine receptors in the nigrostriatal pathway are not affected by risperidone and extrapyramidal effects are avoided. Like other 5-HT\u003csub\u003e2\u003c/sub\u003e antagonists, risperidone also binds at alpha(1)-adrenergic receptors and, to a lesser extent, at histamine H1 and alpha(2)-adrenergic receptors.","Pharmacodynamics":"Risperidone is an atypical antipsychotic medication. It is most often used to treat delusional psychosis (including schizophrenia), but risperidone is also used to treat some forms of bipolar disorder and psychotic depression. It also has shown some success in treating symptoms of Asperger's Syndrome and autism. Risperidone is now the most commonly prescribed antipsychotic medication in the United States.","Absorption":"Well absorbed. The absolute oral bioavailability of risperidone is 70% (CV=25%). The relative oral bioavailability of risperidone from a tablet is 94% (CV=10%) when compared to a solution.","Interactions":[{"ID":"DB06697"},{"ID":"DB00564"},{"ID":"DB00843"},{"ID":"DB00472"},{"ID":"DB00674"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB06708"},{"ID":"DB01267"},{"ID":"DB00715"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00857"},{"ID":"DB04844"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00735","Name":"Naftifine","DrugType":"small molecule","HalfLife":"Approximately 2 to 3 days following topical administration.","Description":"Naftifine is a synthetic, broad spectrum, antifungal agent and allylamine derivative for the topical treatment of tinea pedis, tinea cruris, and tinea corporis caused by the organisms Trichophyton rubrum, Trichophyton mentagrophytes, Trichophyton tonsurans and Epidermophyton floccosum.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For the topical treatment of tinea pedis, tinea cruris, and tinea corporis caused by the organisms \u003ci\u003eTrichophyton rubrum\u003c/i\u003e, \u003ci\u003eTrichophyton mentagrophytes\u003c/i\u003e, \u003ci\u003eTrichophyton tonsurans\u003c/i\u003e and \u003ci\u003eEpidermophyton floccosum\u003c/i\u003e.","Toxicity":"","MechanismOfAction":"Although the exact mechanism of action against fungi is not known, naftifine appears to interfere with sterol biosynthesis by inhibiting the enzyme squalene 2,3-epoxidase. This inhibition of enzyme activity results in decreased amounts of sterols, especially ergosterol, and a corresponding accumulation of squalene in the cells.","Pharmacodynamics":"Naftifine is a synthetic, broad spectrum, antifungal agent and allylamine derivative. The following in vitro data are available, but their clinical significance is unknown. Naftifine has been shown to exhibit fungicidal activity in vitro against a broad spectrum of organisms including \u003ci\u003eTrichophyton rubrum\u003c/i\u003e, \u003ci\u003eTrichophyton mentagrophytes\u003c/i\u003e, \u003ci\u003eTrichophyton tonsurans\u003c/i\u003e, \u003ci\u003eEpidermophyton floccosum\u003c/i\u003e, and \u003ci\u003eMicrosporum canis\u003c/i\u003e, \u003ci\u003eMicrosporum audouini\u003c/i\u003e, and \u003ci\u003eMicrosporum gypseum\u003c/i\u003e; and fungistatic activity against \u003ci\u003eCandida\u003c/i\u003e species including \u003ci\u003eCandida albicans\u003c/i\u003e. However it is only used to treat the organisms listed in the indications.","Absorption":"Following single topical applications of 3H-labeled naftifine gel 1% to the skin of healthy subjects, up to 4.2% of the applied dose was absorbed.","Interactions":null,"Salts":[{"ID":"DBSALT000677","Name":"Naftifine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00736","Name":"Esomeprazole","DrugType":"small molecule","HalfLife":"1-1.5 hours","Description":"A highly effective inhibitor of gastric acid secretion used in the therapy of stomach ulcers and zollinger-ellison syndrome. The drug inhibits the H(+)-K(+)-ATPase (H(+)-K(+)-exchanging ATPase) in the proton pump of gastric parietal cells. [PubChem]","Classification":{"Description":"This compound belongs to the sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.","DirectParent":"Sulfinylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Sulfinylbenzimidazoles"},"Indication":"For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use.","Toxicity":"Blurred vision, confusion, drowsiness, dry mouth, flushing headache, nausea, rapid heartbeat, sweating","MechanismOfAction":"Esomeprazole is a proton pump inhibitor that suppresses gastric acid secretion by specific inhibition of the H\u003csup\u003e+\u003c/sup\u003e/K\u003csup\u003e+\u003c/sup\u003e-ATPase in the gastric parietal cell. By acting specifically on the proton pump, Esomeprazole blocks the final step in acid production, thus reducing gastric acidity.","Pharmacodynamics":"Esomeprazole is a compound that inhibits gastric acid secretion and is indicated in the treatment of gastroesophageal reflux disease (GERD), the healing of erosive esophagitis, and \u003ci\u003eH. pylori\u003c/i\u003e eradication to reduce the risk of duodenal ulcer recurrence. Esomeprazole belongs to a new class of antisecretory compounds, the substituted benzimidazoles, that do not exhibit anticholinergic or H2 histamine antagonistic properties, but that suppress gastric acid secretion by specific inhibition of the H\u003csup\u003e+\u003c/sup\u003e/K\u003csup\u003e+\u003c/sup\u003e ATPase at the secretory surface of the gastric parietal cell. By doing so, it inhibits acid secretion into the gsatric lumen. This effect is dose-related and leads to inhibition of both basal and stimulated acid secretion irrespective of the stimulus.","Absorption":"90%","Interactions":[{"ID":"DB01072"},{"ID":"DB01066"},{"ID":"DB00758"},{"ID":"DB00467"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB08864"},{"ID":"DB00932"}],"Salts":[{"ID":"DBSALT000968","Name":"Esomeprazole Sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00612","Drugs":["DB00736"]},{"ID":"SMP00225","Drugs":["DB00736","DB01345","DB01593"]}]},{"ID":"DB00737","Name":"Meclizine","DrugType":"small molecule","HalfLife":"6 hours","Description":"A histamine H1 antagonist used in the treatment of motion sickness, vertigo, and nausea during pregnancy and radiation sickness. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the prevention and treatment of nausea, vomiting, or dizziness associated with motion sickness.","Toxicity":"Symptoms of overdose include drowsiness and anticholinergic effects. LD\u003csub\u003e50\u003c/sub\u003e=mg/kg (orally in rat).","MechanismOfAction":"Along with its actions as an antagonist at H\u003csub\u003e1\u003c/sub\u003e-receptors, meclizine also possesses anticholinergic, central nervous system depressant, and local anesthetic effects. Meclizine depresses labyrinth excitability and vestibular stimulation and may affect the medullary chemoreceptor trigger zone.","Pharmacodynamics":"Meclizine, a piperazine-derivative H\u003csub\u003e1\u003c/sub\u003e-receptor antagonist similar to buclizine, cyclizine, and hydroxyzine, is used as an antivertigo/antiemetic agent. Meclizine is used in the management of nausea, vomiting, and dizziness associated with motion sickness and vertigo in diseases affecting the vestibular apparatus.","Absorption":"Well absorbed","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000678","Name":"Meclizine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00738","Name":"Pentamidine","DrugType":"small molecule","HalfLife":"9.1-13.2 hours","Description":"Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of pneumocystis pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects. [PubChem]","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the treatment of pneumonia due to \u003ci\u003ePneumocystis carinii\u003c/i\u003e.","Toxicity":"Symptoms of overdose include pain, nausea, anorexia, hypotension, fever, rash, bad taste in mouth, confusion/hallucinations, dizziness, and diarrhea.","MechanismOfAction":"The mode of action of pentamidine is not fully understood. It is thought that the drug interferes with nuclear metabolism producing inhibition of the synthesis of DNA, RNA, phospholipids, and proteins.","Pharmacodynamics":"Pentamidine is an antiprotozoal agent. It is an aromatic diamidine, and is known to have activity against \u003ci\u003ePneumocystis carinii\u003c/i\u003e. The exact nature of its antiprotozoal action is unknown. \u003ci\u003ein vitro\u003c/i\u003e studies with mammalian tissues and the protozoan \u003ci\u003eCrithidia oncopelti\u003c/i\u003e indicate that the drug interferes with nuclear metabolism producing inhibition of the synthesis of DNA, RNA, phospholipids and proteins. Little is known about the drug's pharmacokinetics. The medication is also useful in Leishmaniasis and in prophylaxis against sleeping sickness caused by \u003ci\u003eTrypanosoma brucei gambiense\u003c/i\u003e. Hydration before treatment lessens the incidence and severity of side effects, which include liver or kidney dysfunction, hypertension, hypotension, hypoglycemia, hypocalemia, leukopenia, thrombcytopenia, anemia, and allergic reaction. It is generally well-tolerated.","Absorption":"Absorbed poorly through the gastrointestinal tract and is usually administered parenterally.","Interactions":[{"ID":"DB06697"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB01369"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00208"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00943"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000967","Name":"Pentamidine Isethionate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00739","Name":"Hetacillin","DrugType":"small molecule","HalfLife":"","Description":"Hetacillin is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name \"penicillin\" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Hetacillin has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Hetacillin results from the inhibition of cell wall synthesis and is mediated through Hetacillin binding to penicillin binding proteins (PBPs). Hetacillin has been withdrawn from the market since it has been discovered that it has no therapeutic advantage compared to non-ester derivatives like ampicillin. ","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Hetacillin is a beta-lactam antibiotic prodrug used to treat bacterial infections. In the body it gets converted to ampicillin.","Toxicity":"","MechanismOfAction":"Hetacillin is a semisynthetic penicillin prodrug which itself has no antibacterial activity, but is converted in the body to ampicillin and has actions and uses similar to those of ampicillin. Hetacillin is prepared by reacting ampicillin with acetone. Ampicillin rapidly decomposes because of the intramolecular attack of the side chain amino group on the lactam ring. Hetacillin locks up the offending amino group and prevents the decompolsition Hetacillin, once hydrolyzed to ampicillin (and acetone) binds to the penicillin binding proteins found in susceptible bacteria. This inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins. Targets below reflect ampicillin targets. ","Pharmacodynamics":"Hetacillin is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name \"penicillin\" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Hetacillin has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Hetacillin results from the inhibition of cell wall synthesis and is mediated through Hetacillin binding to penicillin binding proteins (PBPs).","Absorption":"","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01017"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT000966","Name":"Hetacillin Potassium"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00740","Name":"Riluzole","DrugType":"small molecule","HalfLife":"The mean elimination half-life of riluzole is 12 hours (CV=35%) after repeated doses.","Description":"A glutamate antagonist (receptors, glutamate) used as an anticonvulsant (anticonvulsants) and to prolong the survival of patients with amyotrophic lateral sclerosis. Riluzole is marketed as Rilutek by Sanofi. ","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"For the treatment of amyotrophic lateral sclerosis (ALS, Lou Gehrig's Disease)","Toxicity":"","MechanismOfAction":"The mode of action of riluzole is unknown. Its pharmacological properties include the following, some of which may be related to its effect: 1) an inhibitory effect on glutamate release (activation of glutamate reuptake), 2) inactivation of voltage-dependent sodium channels, and 3) ability to interfere with intracellular events that follow transmitter binding at excitatory amino acid receptors.","Pharmacodynamics":"Riluzole, a member of the benzothiazole class, is indicated for the treatment of patients with amyotrophic lateral sclerosis (ALS). Riluzole extends survival and/or time to tracheostomy. It is also neuroprotective in various \u003ci\u003ein vivo\u003c/i\u003e experimental models of neuronal injury involving excitotoxic mechanisms. The etiology and pathogenesis of amyotrophic lateral sclerosis (ALS) are not known, although a number of hypotheses have been advanced. One hypothesis is that motor neurons, made vulnerable through either genetic predisposition or environmental factors, are injured by glutamate. In some cases of familial ALS the enzyme superoxide dismutase has been found to be defective.","Absorption":"Riluzole is well-absorbed (approximately 90%), with average absolute oral bioavailability of about 60% (CV=30%). A high fat meal decreases absorption, reducing AUC by about 20% and peak blood levels by about 45%.","Interactions":null,"Salts":[{"ID":"DBSALT000679","Name":"Riluzole Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00741","Name":"Hydrocortisone","DrugType":"small molecule","HalfLife":"6-8 hours","Description":"The main glucocorticoid secreted by the adrenal cortex. Its synthetic counterpart is used, either as an injection or topically, in the treatment of inflammation, allergy, collagen diseases, asthma, adrenocortical deficiency, shock, and some neoplastic conditions. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. Also used to treat endocrine (hormonal) disorders (adrenal insufficiency, Addisons disease). It is also used to treat many immune and allergic disorders, such as arthritis, lupus, severe psoriasis, severe asthma, ulcerative colitis, and Crohn's disease.","Toxicity":"Side effects include inhibition of bone formation, suppression of calcium absorption and delayed wound healing","MechanismOfAction":"Hydrocortisone binds to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Specifically glucocorticoids induce lipocortin-1 (annexin-1) synthesis, which then binds to cell membranes preventing the phospholipase A2 from coming into contact with its substrate arachidonic acid. This leads to diminished eicosanoid production. The cyclooxygenase (both COX-1 and COX-2) expression is also suppressed, potentiating the effect. In other words, the two main products in inflammation Prostaglandins and Leukotrienes are inhibited by the action of Glucocorticoids. Glucocorticoids also stimulate the lipocortin-1 escaping to the extracellular space, where it binds to the leukocyte membrane receptors and inhibits various inflammatory events: epithelial adhesion, emigration, chemotaxis, phagocytosis, respiratory burst and the release of various inflammatory mediators (lysosomal enzymes, cytokines, tissue plasminogen activator, chemokines etc.) from neutrophils, macrophages and mastocytes. Additionally the immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding.","Pharmacodynamics":"Hydrocortisone is the most important human glucocorticoid. It is essential for life and regulates or supports a variety of important cardiovascular, metabolic, immunologic and homeostatic functions. Topical hydrocortisone is used for its anti-inflammatory or immunosuppressive properties to treat inflammation due to corticosteroid-responsive dermatoses. Glucocorticoids are a class of steroid hormones characterised by an ability to bind with the cortisol receptor and trigger a variety of important cardiovascular, metabolic, immunologic and homeostatic effects. Glucocorticoids are distinguished from mineralocorticoids and sex steroids by having different receptors, target cells, and effects. Technically, the term corticosteroid refers to both glucocorticoids and mineralocorticoids, but is often used as a synonym for glucocorticoid. Glucocorticoids suppress cell-mediated immunity. They act by inhibiting genes that code for the cytokines IL-1, IL-2, IL-3, IL-4, IL-5, IL-6, IL-8 and TNF-alpha, the most important of which is the IL-2. Reduced cytokine production limits T cell proliferation. Glucocorticoids also suppress humoral immunity, causing B cells to express lower amounts of IL-2 and IL-2 receptors. This diminishes both B cell clonal expansion and antibody synthesis. The diminished amounts of IL-2 also leads to fewer T lymphocyte cells being activated.","Absorption":"Topical corticosteroids can be absorbed from normal intact skin. Inflammation and/or other disease processes in the skin increase percutaneous absorption.","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB01122"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB01294"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB01432"},{"ID":"DB00375"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB01010"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB05039"},{"ID":"DB08882"},{"ID":"DB01397"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00211"},{"ID":"DB01400"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB01346"},{"ID":"DB01045"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00418"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00072"},{"ID":"DB01401"},{"ID":"DB01339"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000369","Name":"Hydrocortisone Acetate"},{"ID":"DBSALT000783","Name":"Hydrocortisone Probutate"},{"ID":"DBSALT000782","Name":"Hydrocortisone Valerate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00742","Name":"Mannitol","DrugType":"small molecule","HalfLife":"100 minutes","Description":"Mannitol is an osmotic diuretic that is metabolically inert in humans and occurs naturally, as a sugar or sugar alcohol, in fruits and vegetables. Mannitol elevates blood plasma osmolality, resulting in enhanced flow of water from tissues, including the brain and cerebrospinal fluid, into interstitial fluid and plasma. As a result, cerebral edema, elevated intracranial pressure, and cerebrospinal fluid volume and pressure may be reduced. Mannitol may also be used for the promotion of diuresis before irreversible renal failure becomes established; the promotion of urinary excretion of toxic substances; as an Antiglaucoma agent; and as a renal function diagnostic aid.","Classification":{"Description":"This compound belongs to the sugar alcohols. These are hydrogenated forms of carbohydrate, whose carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.","DirectParent":"Sugar Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Alcohols"},"Indication":"Used for the promotion of diuresis before irreversible renal failure becomes established, the reduction of intracranial pressure, the treatment of cerebral edema, and the promotion of urinary excretion of toxic substances.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1700 mg/kg (rat oral)","MechanismOfAction":"Mannitol is an osmotic diuretic that is metabolically inert in humans and occurs naturally, as a sugar or sugar alcohol, in fruits and vegetables. Mannitol elevates blood plasma osmolality, resulting in enhanced flow of water from tissues, including the brain and cerebrospinal fluid, into interstitial fluid and plasma. As a result, cerebral edema, elevated intracranial pressure, and cerebrospinal fluid volume and pressure may be reduced. As a diurectic mannitol induces diuresis because it is not reabsorbed in the renal tubule, thereby increasing the osmolality of the glomerular filtrate, facilitating excretion of water, and inhibiting the renal tubular reabsorption of sodium, chloride, and other solutes. Mannitol promotes the urinary excretion of toxic materials and protects against nephrotoxicity by preventing the concentration of toxic substances in the tubular fluid. As an Antiglaucoma agent mannitol levates blood plasma osmolarity, resulting in enhanced flow of water from the eye into plasma and a consequent reduction in intraocular pressure. As a renal function diagnostic aid mannitol is freely filtered by the glomeruli with less than 10% tubular reabsorption. Therefore, its urinary excretion rate may serve as a measurement of glomerular filtration rate (GFR).","Pharmacodynamics":"Chemically, mannitol is an alcohol and a sugar, or a polyol; it is similar to xylitol or sorbitol. However, mannitol has a tendency to lose a hydrogen ion in aqueous solutions, which causes the solution to become acidic. For this reason, it is not uncommon to add a substance to adjust its pH, such as sodium bicarbonate. Mannitol is commonly used to increase urine production (diuretic). It is also used to treat or prevent medical conditions that are caused by an increase in body fluids/water (e.g., cerebral edema, glaucoma, kidney failure). Mannitol is frequently given along with other diuretics (e.g., furosemide, chlorothiazide) and/or IV fluid replacement.","Absorption":"Approximately 7% of ingested mannitol is absorbed during gastrointestinal perfusion in uremic patients.","Interactions":[{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00743","Name":"Gadobenate Dimeglumine","DrugType":"small molecule","HalfLife":"1 hour","Description":"Gadobenate Dimeglumine is an MRI contrast agent used primarily for MR imaging of the liver. It can also be used for visualizing the CNS and heart. In contrast to conventional extracellular fluid contrast agents, gadobenate dimeglumine is characterized by a weak and transient binding capacity to serum proteins. This binding leads to an increased relaxivity of gadobenate dimeglumine and, consequently, to a considerably increased signal intensity over that of other agents.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Gadobenate Dimeglumine is an MRI contrast agent used primarily for MR imaging of the liver. It can also be used for MRI of the heart, as well as and central nervous system in adults to visualize lesions with abnormal brain vascularity or abnormalities in the blood brain barrier, the brain, spine, or other associated tissues.","Toxicity":"Gadolinium-based radiocontrast agents like gadobenate dimeglumine are cytotoxic to renal cells. The toxic effects include apoptosis, cellular energy failure, disruption of calcium homeostasis, and disturbance of tubular cell polarity, and are thought to be linked to oxidative stress.","MechanismOfAction":"Based on the behavior of protons when placed in a strong magnetic field, which is interpreted and transformed into images by magnetic resonance (MR) instruments. Paramagnetic agents have unpaired electrons that generate a magnetic field about 700 times larger than the proton's field, thus disturbing the proton's local magnetic field. When the local magnetic field around a proton is disturbed, its relaxation process is altered. MR images are based on proton density and proton relaxation dynamics. MR instruments can record 2 different relaxation processes, the T1 (spin-lattice or longitudinal relaxation time) and the T2 (spin-spin or transverse relaxation time). In magnetic resonance imaging (MRI), visualization of normal and pathological brain tissue depends in part on variations in the radiofrequency signal intensity that occur with changes in proton density, alteration of the T1, and variation in the T2. When placed in a magnetic field, Gadobenate Dimeglumine shortens both the T1 and the T2 relaxation times in tissues where it accumulates. At clinical doses, Gadobenate Dimeglumine primarily affects the T1 relaxation time, thus producing an increase in signal intensity. Gadobenate Dimeglumine does not cross the intact blood-brain barrier; therefore, it does not accumulate in normal brain tissue or in central nervous system (CNS) lesions that have not caused an abnormal blood-brain barrier (e.g., cysts, mature post-operative scars).","Pharmacodynamics":"Gadobenate dimeglumine shares the pharmacokinetic properties of the ECF contrast agent gadopentetate dimeglumine; however, gadobenate differs in that is also selectively taken-up by hepatocytes and excreted via the bile (up to 5% of dose). The elimination half-life of gadobenate dimeglumine is approximately 1 hour. It is not metabolized.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00744","Name":"Zileuton","DrugType":"small molecule","HalfLife":"2.5 hours","Description":"Leukotrienes are substances that induce numerous biological effects including augmentation of neutrophil and eosinophil migration, neutrophil and monocyte aggregation, leukocyte adhesion, increased capillary permeability, and smooth muscle contraction. These effects contribute to inflammation, edema, mucus secretion, and bronchoconstriction in the airways of asthmatic patients. Zileuton relieves such symptoms through its selective inhibition of 5-lipoxygenase, the enzyme that catalyzes the formation of leukotrienes from arachidonic acid. Specifically, it inhibits leukotriene LTB4, LTC4, LTD4, and LTE4 formation. Both the R(+) and S(-) enantiomers are pharmacologically active as 5-lipoxygenase inhibitors in in vitro systems. The immediate release tablet of Zileuton has been withdrawn from the US market. ","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"For the prophylaxis and chronic treatment of asthma in adults and children 12 years of age and older.","Toxicity":"The oral minimum lethal doses in mice and rats were 500-4000 and 300-1000 mg/kg in various preparations, respectively (providing greater than 3 and 9 times the systemic exposure [AUC] achieved at the maximum recommended human daily oral dose, respectively).","MechanismOfAction":"Leukotrienes are substances that induce numerous biological effects including augmentation of neutrophil and eosinophil migration, neutrophil and monocyte aggregation, leukocyte adhesion, increased capillary permeability, and smooth muscle contraction. These effects contribute to inflammation, edema, mucus secretion, and bronchoconstriction in the airways of asthmatic patients. Zileuton relieves such symptoms through its selective inhibition of 5-lipoxygenase, the enzyme that catalyzes the formation of leukotrienes from arachidonic acid. Specifically, it inhibits leukotriene LTB4, LTC4, LTD4, and LTE4 formation. Both the R(+) and S(-) enantiomers are pharmacologically active as 5-lipoxygenase inhibitors in \u003ci\u003ein vitro\u003c/i\u003e systems. Due to the role of leukotrienes in the pathogenesis of asthma, modulation of leukotriene formation by interruption of 5-lipoxygenase activity may reduce airway symptoms, decrease bronchial smooth muscle tone, and improve asthma control.","Pharmacodynamics":"Zileuton is an asthma drug that differs chemically and pharmacologically from other antiasthmatic agents. It blocks leukotriene synthesis by inhibiting 5-lipoxygenase, an enzyme of the eicosanoid synthesis pathway. Current data indicates that asthma is a chronic inflammatory disorder of the airways involving the production and activity of several endogenous inflammatory mediators, including leukotrienes. Sulfido-peptide leukotrienes (LTC4, LTD4, LTE4, also known as the slow-releasing substances of anaphylaxis) and LTB4, a chemoattractant for neutrophils and eosinophils, are derived from the initial unstable product of arachidonic acid metabolism, leukotriene A4 (LTA4), and can be measured in a number of biological fluids including bronchoalveolar lavage fluid (BALF) from asthmatic patients. In humans, pretreatment with zileuton attenuated bronchoconstriction caused by cold air challenge in patients with asthma.","Absorption":"Rapidly and almost completely absorbed. The absolute bioavailability is unknown.","Interactions":[{"ID":"DB01223"},{"ID":"DB06769"},{"ID":"DB00320"},{"ID":"DB06210"},{"ID":"DB00696"},{"ID":"DB01303"},{"ID":"DB01100"},{"ID":"DB00980"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB00745","Name":"Modafinil","DrugType":"small molecule","HalfLife":"23-215 hours","Description":"Modafinil is a stimulant drug marketed as a 'wakefulness promoting agent' and is one of the stimulants used in the treatment of narcolepsy. Narcolepsy is caused by dysfunction of a family of wakefulness-promoting and sleep-suppressing peptides, the orexins, whose neurons are activated by modafinil. The prexin neuron activation is associated with psychoactivation and euphoria. The exact mechanism of action is unclear, although in vitro studies have shown it to inhibit the reuptake of dopamine by binding to the dopamine reuptake pump, and lead to an increase in extracellular dopamine. Modafinil activates glutamatergic circuits while inhibiting GABA.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"To improve wakefulness in patients with excessive daytime sleepiness (EDS) associated with narcolepsy.","Toxicity":"","MechanismOfAction":"The exact mechanism of action is unclear, although \u003ci\u003ein vitro\u003c/i\u003e studies have shown it to inhibit the reuptake of dopamine by binding to the dopamine reuptake pump, and lead to an increase in extracellular dopamine. Modafinil activates glutamatergic circuits while inhibiting GABA. Modafinil is thought to have less potential for abuse than other stimulants due to the absence of any significant euphoric or pleasurable effects. It is possible that modafinil acts by a synergistic combination of mechanisms including direct inhibition of dopamine reuptake, indirect inhibition of noradrenalin reuptake in the VLPO and orexin activation. Modafinil has partial alpha 1B-adrenergic agonist effects by directly stimulating the receptors.","Pharmacodynamics":"Modafinil is a stimulant drug marketed as a 'wakefulness promoting agent' and is one of the stimulants used in the treatment of narcolepsy. Narcolepsy is caused by dysfunction of a family of wakefulness-promoting and sleep-suppressing peptides, the orexins, whose neurons are activated by modafinil. The prexin neuron activation is associated with psychoactivation and euphoria. Modafinil is not indicated for complaints of lack of energy or fatigue; but it appears to be very helpful for some patients. Also, it has been used in the treatment of hypersomnia, a disorder in which patients lack the capacity for meaningful sleep and may require ten or more hours per day. Recent studies have have found that modafinil may help recovering cocaine addicts fight their addiction.","Absorption":"Rapid following oral administration.","Interactions":[{"ID":"DB00395"},{"ID":"DB00363"},{"ID":"DB00091"},{"ID":"DB00977"},{"ID":"DB01357"},{"ID":"DB01656"},{"ID":"DB00976"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00746","Name":"Deferoxamine","DrugType":"small molecule","HalfLife":"Biphasic elimination pattern in healthy volunteers with a first rapid phase half life of 1 hour and a second slow phase half-life of 6 hours.","Description":"Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form. [PubChem]","Classification":{"Description":"This compound belongs to the secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).","DirectParent":"Secondary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"Used to treat acute iron or aluminum toxicity (an excess of aluminum in the body) in certain patients. Also used in certain patients with anemia who must receive many blood transfusions.","Toxicity":"Intravenous LD\u003csub\u003e50\u003c/sub\u003e in mouse, rat, and rabbit is 340 mg/kg, 520 mg/kg, and 600 mg/kg, respectively. Subcutaneous LD\u003csub\u003e50\u003c/sub\u003e in mouse and rat is 1600 mg/kg and \u003e1000 mg/kg, respectively. Oral LD\u003csub\u003e50\u003c/sub\u003e in mouse and rat is \u003e3000 mg/kg and \u003e1000 mg/kg, respectively. Nephrotoxicity, ototoxicity and retinal toxicity have been reported following long-term administration for chronic iron overload.","MechanismOfAction":"Deferoxamine works in treating iron toxicity by binding trivalent (ferric) iron (for which it has a strong affinity), forming ferrioxamine, a stable complex which is eliminated via the kidneys. 100 mg of deferoxamine is capable of binding approximately 8.5 mg of trivalent (ferric) iron. Deferoxamine works in treating aluminum toxicity by binding to tissue-bound aluminum to form aluminoxamine, a stable, water-soluble complex. The formation of aluminoxamine increases blood concentrations of aluminum, resulting in an increased concentration gradient between the blood and dialysate, boosting the removal of aluminum during dialysis. 100 mg of deferoxamine is capable of binding approximately 4.1 mg of aluminum.","Pharmacodynamics":"Deferoxamine, otherwise known as desferrioxamine or desferal, is a chelating agent used to remove excess iron or aluminum from the body. It acts by binding free iron or aluminum in the bloodstream and enhancing its elimination in the urine. By removing excess iron or aluminum, the agent reduces the damage done to various organs and tissues, such as the liver.","Absorption":"Deferoxamine is rapidly absorbed after intramuscular or subcutaneous administration, but only poorly absorbed from the gastrointestinal tract in the presence of intact mucosa.","Interactions":[{"ID":"DB00126"}],"Salts":[{"ID":"DBSALT000965","Name":"Deferoxamine Hydrochloride"},{"ID":"DBSALT000964","Name":"Deferoxamine mesylate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00747","Name":"Scopolamine","DrugType":"small molecule","HalfLife":"4.5 hours","Description":"An alkaloid from Solanaceae, especially Datura metel L. and Scopola carniolica. Scopolamine and its quaternary derivatives act as antimuscarinics like atropine, but may have more central nervous system effects. Among the many uses are as an anesthetic premedication, in urinary incontinence, in motion sickness, as an antispasmodic, and as a mydriatic and cycloplegic. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For the treatment of excessive salivation, colicky abdominal pain, bradycardia, sialorrhoea, diverticulitis, irritable bowel syndrome and motion sickness.","Toxicity":"","MechanismOfAction":"Scopolamine acts by interfering with the transmission of nerve impulses by acetylcholine in the parasympathetic nervous system (specifically the vomiting center).","Pharmacodynamics":"Scopolamine is a muscarinic antagonist structurally similar to the neurotransmitter acetylcholine and acts by blocking the muscarinic acetylcholine receptors and is thus classified as an anticholinergic. Scopolamine has many uses including the prevention of motion sickness. It is not clear how Scopolamine prevents nausea and vomiting due to motion sickness. The vestibular part of the ear is very important for balance. When a person becomes disoriented due to motion, the vestibule sends a signal through nerves to the vomiting center in the brain, and vomiting occurs. Acetylcholine is a chemical that nerves use to transmit messages to each other. It is believe that Scopolamine prevents communication between the nerves of the vestibule and the vomiting center in the brain by blocking the action of acetylcholine. Scopolamine also may work directly on the vomiting center. Scopolamine must be taken before the onset of motion sickness to be effective.","Absorption":"Bioavailability is 10 - 50%","Interactions":[{"ID":"DB08810"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000160","Name":"Scopolamine Hydrobromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00748","Name":"Carbinoxamine","DrugType":"small molecule","HalfLife":"10 to 20 hours","Description":"Carbinoxamine is a first generation antihistamine that competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. The product label for carbinoxamine as an over the counter cough and cold medicine is being modified to state \"do not use\" in children under 4 years of age in order to prevent and reduce misuse, as many unapproved carbinoxamine-containing preparations contained inappropriate labeling, which promoted unapproved uses (including management of congestion, cough, the common cold, and the use in children under 2 years of age), which can potentially cause serious health risks.","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"For symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. Also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema.","Toxicity":"","MechanismOfAction":"Carbinoxamine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. Carbinoxamine's anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown.","Pharmacodynamics":"Carbinoxamine is a first generation antihistamine of the ethanolamine class. Ethanolamine antihistamines have significant antimuscarinic activity and produce marked sedation in most patients. In addition to the usual allergic symptoms, the drug also treats irritant cough and nausea, vomiting, and vertigo associated with motion sickness. It also is used commonly to treat drug-induced extrapyramidal symptoms as well as to treat mild cases of Parkinson's disease. Rather than preventing the release of histamine, as do cromolyn and nedocromil, carbinoxamine competes with free histamine for binding at HA-receptor sites. Carbinoxamine competitively antagonizes the effects of histamine on HA-receptors in the GI tract, uterus, large blood vessels, and bronchial muscle. Ethanolamine derivatives have greater anticholinergic activity than do other antihistamines, which probably accounts for the antidyskinetic action of carbinoxamine.","Absorption":"","Interactions":[{"ID":"DB00895"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB01278"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000963","Name":"Carbinoxamine Maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00749","Name":"Etodolac","DrugType":"small molecule","HalfLife":"Terminal t\u003csub\u003e1/2\u003c/sub\u003e, 7.3 \u0026plusmn; 4.0 hours. Distribution t\u003csub\u003e1/2\u003c/sub\u003e, 0.71 \u0026plusmn; 0.50 hours","Description":"Etodolac is a non-steroidal anti-inflammatory drug (NSAID) with anti-inflammatory, analgesic and antipyretic properties. Its therapeutic effects are due to its ability to inhibit prostaglandin synthesis. It is indicated for relief of signs and symptoms of rheumatoid arthritis and osteoarthritis. ","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"For acute and long-term management of signs and symptoms of osteoarthritis and rheumatoid arthritis, as well as for the management of pain.","Toxicity":"Selective COX-2 inhibitors have been associated with increased risk of serious cardiovascular events (e.g. myocardial infarction, stroke) in some patients. Current data is insufficient to assess the cardiovascular risk of etodolac. Etodolac may increase blood pressure and/or cause fluid retention and edema. Risk of GI toxicity including bleeding, ulceration and perforation. Risk of direct renal injury, including renal papillary necrosis. Anaphylactoid and serious skin reactions (e.g. exfoliative dermatitis, Stevens-Johnson syndrome, toxic epidermal necrolysis) have been reported. Common adverse events include abdominal pain, constipation, diarrhea, dyspepsia, flatulence, GI bleeding, GI perforation, nausea, peptic ulcer, vomiting, renal function abnormalities, anemia, dizziness, edema, liver function test abnormalities, headache, prolonged bleeding time, pruritus, rash, tinnitus. Symptoms of overdose include lethargy, drowsiness, nausea, vomiting, and epigastric pain.","MechanismOfAction":"Similar to other NSAIDs, the anti-inflammatory effects of etodolac result from inhibition of the enzyme cycooxygenase (COX). This decreases the synthesis of peripheral prostaglandins involved in mediating inflammation. Etodolac binds to the upper portion of the COX enzyme active site and prevents its substrate, arachidonic acid, from entering the active site. Etodolac was previously thought to be a non-selective COX inhibitor, but it is now known to be 5 – 50 times more selective for COX-2 than COX-1. Antipyresis may occur by central action on the hypothalamus, resulting in peripheral dilation, increased cutaneous blood flow, and subsequent heat loss.","Pharmacodynamics":"Etodolac is an anti-inflammatory agent with analgesic and antipyretic properties. It is used to treat osteoarthritis, rheumatoid arthritis and control acute pain. The therapeutic effects of etodolac are achieved via inhibition of the synthesis of prostaglandins involved in fever, pain, swelling and inflammation. Etodolac is administered as a racemate. As with other NSAIDs, the S-form has been shown to be active while the R-form is inactive. Both enantiomers are stable and there is no evidence of R- to S- conversion \u003ci\u003ein vivo\u003c/i\u003e.","Absorption":"Based on mass balance studies, the systemic bioavailability of etodolac from either the tablet or capsule formulation is at least 80%.","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB01381"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00084","Drugs":["DB00142","DB00143","DB00749","DB01373","DB01593","DB04557"]}]},{"ID":"DB00750","Name":"Prilocaine","DrugType":"small molecule","HalfLife":"","Description":"A local anesthetic that is similar pharmacologically to lidocaine. Currently, it is used most often for infiltration anesthesia in dentistry. (From AMA Drug Evaluations Annual, 1992, p165)","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used as a local anaesthetic and is often used in dentistry.","Toxicity":"","MechanismOfAction":"Prilocaine acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. The antiarrhythmic actions are mediated through effects on sodium channels in Purkinje fibers.","Pharmacodynamics":"Prilocaine binds to the intracellular surface of sodium channels which blocks the subsequent influx of sodium into the cell. Action potential propagation and never function is, therefore, prevented. This block is reversible and when the drug diffuses away from the cell, sodium channel function is restored and nerve propagation returns.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000962","Name":"Prilocaine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00401","Drugs":["DB00368","DB00750","DB00988","DB01345","DB01373"]}]},{"ID":"DB00751","Name":"Epinastine","DrugType":"small molecule","HalfLife":"12 hours","Description":"Epinastine is used for the prevention of itching associated with allergic conjunctivitis. It has a multi-action effect that inhibits the allergic response in 3 ways: 1. stabilizes mast cells by preventing mast cell degranulation to control the allergic response, 2. prevents histamine binding to both the H1- and H2-receptors to stop itching and provide lasting protection, and 3. prevents the release of proinflammatory chemical mediators from the blood vessel to halt progression of the allergic response.","Classification":{"Description":"This compound belongs to the dibenzazepines. These are compounds with two benzene rings connected by an azepine ring.","DirectParent":"Dibenzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":"Dibenzazepines"},"Indication":"For the prevention of itching associated with allergic conjunctivitis.","Toxicity":"","MechanismOfAction":"Epinastine has a multiaction effect that inhibits the allergic response in 3 ways: 1. stabilizes mast cells by preventing mast cell degranulation to control the allergic response, 2. prevents histamine binding to both the H1- and H\u003csub\u003e2\u003c/sub\u003e-receptors to stop itching and provide lasting protection, and 3. prevents the release of proinflammatory chemical mediators from the blood vessel to halt progression of the allergic response.","Pharmacodynamics":"Epinastine is an antihistamine and an inhibitor of histamine release from the mast cell for topical administration to the eyes. Epinastine is indicated for the prevention of itching associated with allergic conjunctivitis. Epinastine is a topically active, direct H\u003csub\u003e1\u003c/sub\u003e-receptor antagonist and an inhibitor of the release of histamine from the mast cell. Epinastine is selective for the histamine H\u003csub\u003e1\u003c/sub\u003e-receptor and has affinity for the histamine H2 receptor. Epinastine also possesses affinity for the a1-, a2-, and 5-HT\u003csub\u003e2\u003c/sub\u003e -receptors. Epinastine does not penetrate the blood/brain barrier and, therefore, is not expected to induce side effects of the central nervous system.","Absorption":"The absolute bioavailability of epinastine is about 40%.","Interactions":null,"Salts":[{"ID":"DBSALT000961","Name":"Epinastine Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00752","Name":"Tranylcypromine","DrugType":"small molecule","HalfLife":"1.5-3.2 hours in patients with normal renal and hepatic function","Description":"A propylamine formed from the cyclization of the side chain of amphetamine. This monoamine oxidase inhibitor is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in panic and phobic disorders. (From AMA Drug Evaluations Annual, 1994, p311)","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the treatment of major depressive episode without melancholia.","Toxicity":"In overdosage, some patients exhibit insomnia, restlessness and anxiety, progressing in severe cases to agitation, mental confusion and incoherence. Hypotension, dizziness, weakness and drowsiness may occur, progressing in severe cases to extreme dizziness and shock. A few patients have displayed hypertension with severe headache and other symptoms. Rare instances have been reported in which hypertension was accompanied by twitching or myoclonic fibrillation of skeletal muscles with hyperpyrexia, sometimes progressing to generalized rigidity and coma.","MechanismOfAction":"Tranylcypromine irreversibly and nonselectively inhibits monoamine oxidase (MAO). Within neurons, MAO appears to regulate the levels of monoamines released upon synaptic firing. Since depression is associated with low levels of monoamines, the inhibition of MAO serves to ease depressive symptoms, as this results in an increase in the concentrations of these amines within the CNS.","Pharmacodynamics":"Tranylcypromine belongs to a class of antidepressants called monoamine oxidase inhibitors (MAOIs). Tranylcypromine is a non-hydrazine monoamine oxidase inhibitor with a rapid onset of activity. MAO is an enzyme that catalyzes the oxidative deamination of a number of amines, including serotonin, norepinephrine, epinephrine, and dopamine. Two isoforms of MAO, A and B, are found in the body. MAO-A is mainly found within cells located in the periphery and catalyzes the breakdown of serotonin, norepinephrine, epinephrine, dopamine and tyramine. MAO-B acts on phenylethylamine, norepinephrine, epinephrine, dopamine and tyramine, is localized extracellularly and is found predominantly in the brain. While the mechanism of MAOIs is still unclear, it is thought that they act by increasing free serotonin and norepinephrine concentrations and/or by altering the concentrations of other amines in the CNS. It has been postulated that depression is caused by low levels of serotonin and/or norepinephrine and that increasing serotonergic and norepinephrinergic neurotransmission results in relief of depressive symptoms. MAO A inhibition is thought to be more relevant to antidepressant activity than MAO B inhibition. Selective MAO B inhibitors, such as selegiline, have no antidepressant effects.","Absorption":"Interindividual variability in absorption. May be biphasic in some individuals. Peak plasma concentrations occur in one hour following oral administration with a secondary peak occurring within 2-3 hours. Biphasic absorption may represent different rates of absorption of the stereoisomers of the drug, though additional studies are required to confirm this. ","Interactions":[{"ID":"DB00802"},{"ID":"DB00918"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00964"},{"ID":"DB00289"},{"ID":"DB00865"},{"ID":"DB01393"},{"ID":"DB00484"},{"ID":"DB01200"},{"ID":"DB00921"},{"ID":"DB01156"},{"ID":"DB00490"},{"ID":"DB00248"},{"ID":"DB00215"},{"ID":"DB01242"},{"ID":"DB00924"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01191"},{"ID":"DB00633"},{"ID":"DB01576"},{"ID":"DB00514"},{"ID":"DB00647"},{"ID":"DB00937"},{"ID":"DB00320"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00216"},{"ID":"DB00494"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB00574"},{"ID":"DB01288"},{"ID":"DB00813"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00998"},{"ID":"DB00614"},{"ID":"DB00674"},{"ID":"DB01170"},{"ID":"DB01181"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB01235"},{"ID":"DB00601"},{"ID":"DB01255"},{"ID":"DB01356"},{"ID":"DB00934"},{"ID":"DB00579"},{"ID":"DB01365"},{"ID":"DB01577"},{"ID":"DB01403"},{"ID":"DB00723"},{"ID":"DB00968"},{"ID":"DB00353"},{"ID":"DB00422"},{"ID":"DB00211"},{"ID":"DB04896"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00540"},{"ID":"DB00816"},{"ID":"DB00935"},{"ID":"DB00715"},{"ID":"DB01186"},{"ID":"DB00454"},{"ID":"DB01579"},{"ID":"DB00780"},{"ID":"DB00191"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01278"},{"ID":"DB01168"},{"ID":"DB01069"},{"ID":"DB00344"},{"ID":"DB00852"},{"ID":"DB01367"},{"ID":"DB00899"},{"ID":"DB00206"},{"ID":"DB00953"},{"ID":"DB00118"},{"ID":"DB01037"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB00708"},{"ID":"DB00669"},{"ID":"DB00382"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00871"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB00697"},{"ID":"DB00323"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000960","Name":"Tranylcypromine Sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00753","Name":"Isoflurane","DrugType":"small molecule","HalfLife":"","Description":"A stable, non-explosive inhalation anesthetic, relatively free from significant side effects. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For induction and maintenance of general anesthesia.","Toxicity":"LC50=15300 ppm/3 hrs (inhalation by rat)","MechanismOfAction":"Isoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Isoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. Also appears to bind the D subunit of ATP synthase and NADH dehydogenase. Isoflurane also binds to the GABA receptor, the large conductance Ca\u003csup\u003e2+\u003c/sup\u003e activated potassium channel, the glutamate receptor and the glycine receptor.","Pharmacodynamics":"Isoflurane is a general inhalation anesthetic used for induction and maintenance of general anesthesia. It induces muscle relaxation and reduces pains sensitivity by altering tissue excitability. It does so by decreasing the extent of gap junction mediated cell-cell coupling and altering the activity of the channels that underlie the action potential.","Absorption":"","Interactions":[{"ID":"DB00598"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00754","Name":"Ethotoin","DrugType":"small molecule","HalfLife":"3 to 9 hours","Description":"Ethotoin is a hydantoin derivative and anticonvulsant. Ethotoin exerts an antiepileptic effect without causing general central nervous system depression. The mechanism of action is probably very similar to that of phenytoin. The latter drug appears to stabilize rather than to raise the normal seizure threshold, and to prevent the spread of seizure activity rather than to abolish the primary focus of seizure discharges. Ethotoin is no longer commonly used. ","Classification":{"Description":"This compound belongs to the phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.","DirectParent":"Phenylhydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"For the control of tonic-clonic (grand mal) and complex partial (psychomotor) seizures.","Toxicity":"Symptoms of overdose include drowsiness, loss of or impaired muscle coordination, nausea, visual disturbance, and, at very high doses, coma.","MechanismOfAction":"The mechanism of action is probably very similar to that of phenytoin. The latter drug appears to stabilize rather than to raise the normal seizure threshold, and to prevent the spread of seizure activity rather than to abolish the primary focus of seizure discharges. Ethotoin inhibits nerve impulses in the motor cortex by lowering sodium ion influx, limiting tetanic stimulation.","Pharmacodynamics":"Ethotoin is a hydantoin derivative and anticonvulsant. Ethotoin exerts an antiepileptic effect without causing general central nervous system depression. The mechanism of action is probably very similar to that of phenytoin. The latter drug appears to stabilize rather than to raise the normal seizure threshold, and to prevent the spread of seizure activity rather than to abolish the primary focus of seizure discharges.","Absorption":"Fairly rapidly absorbed, however, the extent of oral absorption is not known.","Interactions":[{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB00673"},{"ID":"DB00443"},{"ID":"DB01101"},{"ID":"DB00446"},{"ID":"DB00475"},{"ID":"DB01114"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00882"},{"ID":"DB00628"},{"ID":"DB00363"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00829"},{"ID":"DB00255"},{"ID":"DB00280"},{"ID":"DB00822"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB00196"},{"ID":"DB00687"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB00690"},{"ID":"DB00176"},{"ID":"DB00158"},{"ID":"DB00695"},{"ID":"DB00996"},{"ID":"DB00317"},{"ID":"DB00741"},{"ID":"DB00619"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB00555"},{"ID":"DB00367"},{"ID":"DB00643"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00563"},{"ID":"DB00553"},{"ID":"DB00379"},{"ID":"DB00683"},{"ID":"DB00370"},{"ID":"DB00717"},{"ID":"DB00338"},{"ID":"DB00776"},{"ID":"DB01303"},{"ID":"DB03585"},{"ID":"DB00812"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01224"},{"ID":"DB01045"},{"ID":"DB00277"},{"ID":"DB00208"},{"ID":"DB00620"},{"ID":"DB00897"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00755","Name":"Tretinoin","DrugType":"small molecule","HalfLife":"0.5-2 hours","Description":"Tretinoin, also known as all-trans-retinoic acid (ATRA), is a naturally occurring derivative of vitamin A (retinol). Retinoids such as tretinoin are important regulators of cell reproduction, proliferation, and differentiation and are used to treat acne and photodamaged skin and to manage keratinization disorders such as ichthyosis and keratosis follicularis. Tretinoin also represents the class of anticancer drugs called differentiating agents and is used in the treatment of acute promyelocytic leukemia (APL).","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"For the the induction of remission in patients with acute promyelocytic leukemia (APL), French-American-British (FAB) classification M3 (including the M3 variant); For the topical treatment of acne vulgaris, flat warts and other skin conditions (psoriasis, ichthyosis congenita, icthyosis vulgaris, lamellar icthyosis, keratosis palmaris et plantaris, epidermolytic hyperkeratosis, senile comedones, senile keratosis, keratosis follicularis (Darier's disease), and basal cell carcinomas.); For palliative therapy to improve fine wrinkling, mottled hyperpigmentation, roughness associated with photodamage.","Toxicity":"","MechanismOfAction":"Tretinoin binds to alpha, beta, and gamma retinoic acid receptors (RARs). RAR-alpha and RAR-beta have been associated with the development of acute promyelocytic leukemia and squamous cell cancers, respectively. RAR-gamma is associated with retinoid effects on mucocutaneous tissues and bone. Although the exact mechanism of action of tretinoin is unknown, current evidence suggests that the effectiveness of tretinoin in acne is due primarily to its ability to modify abnormal follicular keratinization. Comedones form in follicles with an excess of keratinized epithelial cells. Tretinoin promotes detachment of cornified cells and the enhanced shedding of corneocytes from the follicle. By increasing the mitotic activity of follicular epithelia, tretinoin also increases the turnover rate of thin, loosely-adherent corneocytes. Through these actions, the comedo contents are extruded and the formation of the microcomedo, the precursor lesion of acne vulgaris, is reduced. Tretinoin is not a cytolytic agent but instead induces cytodifferentiation and decreased proliferation of APL cells in culture and in vivo. When Tretinoin is given systemically to APL patients, tretinoin treatment produces an initial maturation of the primitive promyelocytes derived from the leukemic clone, followed by a repopulation of the bone marrow and peripheral blood by normal, polyclonal hematopoietic cells in patients achieving complete remission (CR). The exact mechanism of action of tretinoin in APL is unknown.","Pharmacodynamics":"Tretinoin, also known as all-\u003ci\u003etrans\u003c/i\u003e-retinoic acid (ATRA), is a naturally occurring derivative of vitamin A (retinol). Retinoids such as tretinoin are important regulators of cell reproduction, proliferation, and differentiation and are used to treat acne and photodamaged skin and to manage keratinization disorders such as ichthyosis and keratosis follicularis. Tretinoin also represents the class of anticancer drugs called differentiating agents and is used in the treatment of acute promyelocytic leukemia (APL).","Absorption":"1-31% (topical)","Interactions":[{"ID":"DB01072"},{"ID":"DB00564"},{"ID":"DB00482"},{"ID":"DB00618"},{"ID":"DB00304"},{"ID":"DB00254"},{"ID":"DB01395"},{"ID":"DB06210"},{"ID":"DB00977"},{"ID":"DB00823"},{"ID":"DB00294"},{"ID":"DB01023"},{"ID":"DB01320"},{"ID":"DB01241"},{"ID":"DB01029"},{"ID":"DB01259"},{"ID":"DB00367"},{"ID":"DB00678"},{"ID":"DB01357"},{"ID":"DB01017"},{"ID":"DB00108"},{"ID":"DB04868"},{"ID":"DB00717"},{"ID":"DB00957"},{"ID":"DB00595"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01132"},{"ID":"DB00794"},{"ID":"DB00468"},{"ID":"DB01129"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB00412"},{"ID":"DB00418"},{"ID":"DB00398"},{"ID":"DB00675"},{"ID":"DB00759"},{"ID":"DB00560"},{"ID":"DB00072"},{"ID":"DB00440"},{"ID":"DB00162"}],"Salts":null,"Groups":{"approved":true,"investigational":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00756","Name":"Hexachlorophene","DrugType":"small molecule","HalfLife":"","Description":"A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797)","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For use as a surgical scrub and a bacteriostatic skin cleanser. It may also be used to control an outbreak of gram-positive infection where other infection control procedures have been unsuccessful.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 66 mg/kg. Signs of overdose include anorexia, vomiting, abdominal cramps, diarrhea, dehydration, convulsions, hypotension, and shock, and in several reported instances, fatalities.","MechanismOfAction":"The primary mechanism of action of hexachlorophene, based on studies with \u003ci\u003eBacillus megatherium\u003c/i\u003e, is to inhibit the membrane-bound part of the electron transport chain, respiratory D-lactate dehydrogenase. It induces leakage, causes protoplast lysis, and inhibits respiration.","Pharmacodynamics":"Hexachlorophene, a detergent cleanser, is an antibacterial sudsing emulsion for topical administration. It is a bacteriostatic cleansing agent. It cleanses the skin thoroughly and has bacteriostatic action against staphylococci and other gram-positive bacteria. Cumulative antibacterial action develops with repeated use. Cleansing with alcohol or soaps containing alcohol removes the antibacterial residue.","Absorption":"Detectable blood levels of hexachlorophene following absorption through intact skin have been found in subjects who regularly scrubbed with hexachlorophene.","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00757","Name":"Dolasetron","DrugType":"small molecule","HalfLife":"8.1 hours","Description":"Dolasetron is an antinauseant and antiemetic agent indicated for the prevention of nausea and vomiting associated with moderately-emetogenic cancer chemotherapy and for the prevention of postoperative nausea and vomiting. Dolasetron is a highly specific and selective serotonin 5-HT3 receptor antagonist. This drug is not shown to have activity at other known serotonin receptors, and has low affinity for dopamine receptors.","Classification":{"Description":"This compound belongs to the indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.","DirectParent":"Indolecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"For the prevention of nausea and vomiting associated with emetogenic cancer chemotherapy, including initial and repeat courses of chemotherapy. Also used for the prevention of postoperative nausea and vomiting. This drug can be used intravenously for the treatment of postoperative nausea and vomiting.","Toxicity":"","MechanismOfAction":"Dolasetron is a selective serotonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonist. In vivo, the drug is rapidly converted into its major active metabolite, hydrodolasetron, which seems to be largely responsible for the drug's pharmacological activity. The antiemetic activity of the drug is brought about through the inhibition of 5-HT\u003csub\u003e3\u003c/sub\u003e receptors present both centrally (medullary chemoreceptor zone) and peripherally (GI tract). This inhibition of 5-HT\u003csub\u003e3\u003c/sub\u003e receptors in turn inhibits the visceral afferent stimulation of the vomiting center, likely indirectly at the level of the area postrema, as well as through direct inhibition of serotonin activity within the area postrema and the chemoreceptor trigger zone.","Pharmacodynamics":"Dolasetron is a highly specific and selective serotonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonist, not shown to have activity at other known serotonin receptors and with low affinity for dopamine receptors. It is structurally and pharmacologically related to other 5-HT\u003csub\u003e3\u003c/sub\u003e receptor agonists. The serontonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptors are located on the nerve terminals of the vagus in the periphery, and centrally in the chemoreceptor trigger zone of the area postrema. It is suggested that chemotherapeutic agents release serotonin from the enterochromaffin cells of the small intestine by causing degenerative changes in the GI tract. The serotonin then stimulates the vagal and splanchnic nerve receptors that project to the medullary vomiting center, as well as the 5-HT\u003csub\u003e3\u003c/sub\u003e receptors in the area postrema, thus initiating the vomiting reflex, causing nausea and vomiting.","Absorption":"Orally-administered dolasetron is well absorbed","Interactions":[{"ID":"DB06697"},{"ID":"DB00864"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000959","Name":"Dolasetron Mesylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00758","Name":"Clopidogrel","DrugType":"small molecule","HalfLife":"Carboxylic acid derivative: 8 hours (after single and multiple doses). Covalent binding to platelets has accounted for 2% of radiolabeled clopidogrel with a half-life of 11 days.","Description":"Clopidogrel, an antiplatelet agent structurally and pharmacologically similar to ticlopidine, is used to inhibit blood clots in a variety of conditions such as peripheral vascular disease, coronary artery disease, and cerebrovascular disease. Clopidogrel is sold under the name Plavix by Sanofi and Bristol-Myers Squibb. The drug is an irreversible inhibitor of the P2Y12 adenosine diphosphate receptor found on the membranes of platelet cells. Clopidogrel use is associated with several serious adverse drug reactions such as severe neutropenia, various forms of hemorrhage, and cardiovascular edema. ","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the reduction of atherosclerotic events (myocardial infarction, stroke, and vascular death) in patients with atherosclerosis documented by recent stroke, recent myocardial infarction, or established peripheral arterial disease.","Toxicity":"A single dose of clopidogrel at 1500 or 2000 mg/kg was lethal to mice and rats, with 3000 mg/kg lethal to baboons. Symptoms included vomiting, breathing difficulty, hemorrhage, and prostration. ","MechanismOfAction":"The active metabolite of clopidogrel prevents binding of adenosine diphosphate (ADP) to its platelet receptor, impairing the ADP-mediated activation of the glycoprotein GPIIb/IIIa complex. It is proposed that the inhibition involves a defect in the mobilization from the storage sites of the platelet granules to the outer membrane. he drug specifically and irreversibly inhibits the P2Y12 subtype of ADP receptor, which is important in aggregation of platelets and cross-linking by the protein fibrin. No direct interference occurs with the GPIIb/IIIa receptor. As the glycoprotein GPIIb/IIIa complex is the major receptor for fibrinogen, its impaired activation prevents fibrinogen binding to platelets and inhibits platelet aggregation. By blocking the amplification of platelet activation by released ADP, platelet aggregation induced by agonists other than ADP is also inhibited by the active metabolite of clopidogrel.","Pharmacodynamics":"Since clopidogrel is a prodrug, it must be metabolized by CYP450 enzymes to produce the active metabolite that inhibits platelet aggregation. This active metabolite selectively inhibits adenosine diphosphate (ADP) binding to its platelet P2Y12 receptor and subsequently the ADP-mediated activation of the glycoprotein GPIIb/IIIa complex, thereby inhibiting platelet aggregation.","Absorption":"Absorption is at least 50% based on urinary excretion of clopidogrel-related metabolites. Bioavailability has not been found to be affected by food.","Interactions":[{"ID":"DB00188"},{"ID":"DB00055"},{"ID":"DB00736"},{"ID":"DB06414"},{"ID":"DB01381"},{"ID":"DB00448"},{"ID":"DB00338"},{"ID":"DB00213"},{"ID":"DB01129"},{"ID":"DB06228"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000029","Name":"Clopidogrel Bisulfate "}],"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB00759","Name":"Tetracycline","DrugType":"small molecule","HalfLife":"6-12 hours","Description":"Tetracycline is a broad spectrum polyketide antibiotic produced by the Streptomyces genus of Actinobacteria. It exerts a bacteriostatic effect on bacteria by binding reversible to the bacterial 30S ribosomal subunit and blocking incoming aminoacyl tRNA from binding to the ribosome acceptor site. It also binds to some extent to the bacterial 50S ribosomal subunit and may alter the cytoplasmic membrane causing intracellular components to leak from bacterial cells. ","Classification":{"Description":"This compound belongs to the naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.","DirectParent":"Naphthacenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"Used to treat bacterial infections such as Rocky Mountain spotted fever, typhus fever, tick fevers, Q fever, rickettsialpox and Brill-Zinsser disease. May be used to treat infections caused by Chlamydiae spp., B. burgdorferi (Lyme disease), and upper respiratory infections caused by typical (S. pneumoniae, H. influenzae, and M. catarrhalis) and atypical organisms (C. pneumoniae, M. pneumoniae, L. pneumophila). May also be used to treat acne. Tetracycline may be an alternative drug for people who are allergic to penicillin.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=808mg/kg (orally in mice)","MechanismOfAction":"Tetracycline passively diffuses through porin channels in the bacterial membrane and reversibly binds to the 30S ribosomal subunit, preventing binding of tRNA to the mRNA-ribosome complex, and thus interfering with protein synthesis.","Pharmacodynamics":"Tetracycline is a short-acting antibiotic that inhibits bacterial growth by inhibiting translation. It binds to the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. It also binds to some extent to the 50S ribosomal subunit. This binding is reversible in nature. Additionally tetracycline may alter the cytoplasmic membrane of bacteria causing leakage of intracellular contents, such as nucleotides, from the cell. ","Absorption":"Bioavailability is less than 40% when administered via intramuscular injection, 100% intravenously, and 60-80% orally (fasting adults). Food and/or milk reduce GI absorption of oral preparations of tetracycline by 50% or more.","Interactions":[{"ID":"DB01418"},{"ID":"DB00459"},{"ID":"DB01370"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB01125"},{"ID":"DB01117"},{"ID":"DB01574"},{"ID":"DB01061"},{"ID":"DB00355"},{"ID":"DB01602"},{"ID":"DB01053"},{"ID":"DB00307"},{"ID":"DB01294"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB00578"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00930"},{"ID":"DB01000"},{"ID":"DB00485"},{"ID":"DB00266"},{"ID":"DB01375"},{"ID":"DB00977"},{"ID":"DB00926"},{"ID":"DB00301"},{"ID":"DB00739"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB00982"},{"ID":"DB01378"},{"ID":"DB01397"},{"ID":"DB01357"},{"ID":"DB02443"},{"ID":"DB00563"},{"ID":"DB01028"},{"ID":"DB00948"},{"ID":"DB00607"},{"ID":"DB00713"},{"ID":"DB00417"},{"ID":"DB00319"},{"ID":"DB01604"},{"ID":"DB01605"},{"ID":"DB00881"},{"ID":"DB00706"},{"ID":"DB01606"},{"ID":"DB01607"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB01401"},{"ID":"DB00682"},{"ID":"DB01593"}],"Salts":[{"ID":"DBSALT000361","Name":"Tetracycline hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00294","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00759","DB01972","DB02431","DB03685"]}]},{"ID":"DB00760","Name":"Meropenem","DrugType":"small molecule","HalfLife":"Approximately 1 hour in adults and children 2 years of age and older with normal renal function. Approximately 1.5 hours in children 3 months to 2 years of age.","Description":"Meropenem is a broad-spectrum carbapenem antibiotic. It is active against Gram-positive and Gram-negative bacteria. Meropenem exerts its action by penetrating bacterial cells readily and interfering with the synthesis of vital cell wall components, which leads to cell death.","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use as single agent therapy for the treatment of the following infections when caused by susceptible isolates of the designated microorganisms: \u003cb\u003ecomplicated skin and skin structure infections\u003c/b\u003e due to \u003ci\u003eStaphylococcus aureus\u003c/i\u003e (b-lactamase and non-b-lactamase producing, methicillin-susceptible isolates only), \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e, \u003ci\u003eStreptococcus agalactiae\u003c/i\u003e, viridans group streptococci, \u003ci\u003eEnterococcus faecalis\u003c/i\u003e (excluding vancomycin-resistant isolates), \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e, \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eProteus mirabilis\u003c/i\u003e, \u003ci\u003eBacteroides fragilis\u003c/i\u003e and \u003ci\u003ePeptostreptococcus\u003c/i\u003e species; \u003cb\u003ecomplicated appendicitis and peritonitis\u003c/b\u003e caused by viridans group streptococci, \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e, \u003ci\u003eBacteroides fragilis\u003c/i\u003e, \u003ci\u003eB. thetaiotaomicron\u003c/i\u003e, and \u003ci\u003ePeptostreptococcus\u003c/i\u003e species. Also for use in the treatment of bacterial meningitis caused by \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e (b-lactamase and non-b-lactamase-producing isolates), and \u003ci\u003eNeisseria meningitidis\u003c/i\u003e.","Toxicity":"In mice and rats, large intravenous doses of meropenem (2200-4000 mg/kg) have been associated with ataxia, dyspnea, convulsions, and mortalities.","MechanismOfAction":"The bactericidal activity of meropenem results from the inhibition of cell wall synthesis. Meropenem readily penetrates the cell wall of most Gram-positive and Gram-negative bacteria to reach penicillin-binding- protein (PBP) targets. Its strongest affinities are toward PBPs 2, 3 and 4 of \u003ci\u003eEscherichia coli\u003c/i\u003e and \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e; and PBPs 1, 2 and 4 of \u003ci\u003eStaphylococcus aureus\u003c/i\u003e.","Pharmacodynamics":"Meropenem is a broad-spectrum carbapenem antibiotic. It is active against Gram-positive and Gram-negative bacteria. Meropenem exerts its action by penetrating bacterial cells readily and interfering with the synthesis of vital cell wall components, which leads to cell death.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00761","Name":"Potassium Chloride","DrugType":"small molecule","HalfLife":"","Description":"A white crystal or crystalline powder used as an electrolyte replenisher, in the treatment of hypokalemia, in buffer solutions, and in fertilizers and explosives.","Classification":{"Description":"This compound belongs to the alkali metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is an alkali metal.","DirectParent":"Alkali Metal Chlorides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Alkali Metal Salts","SubClass":"Alkali Metal Chlorides"},"Indication":"For use as an electrolyte replenisher and in the treatment of hypokalemia.","Toxicity":"The administration of oral potassium salts to persons with normal excretory mechanisms for potassium rarely causes serious hyperkalemia. However, if excretory mechanisms are impaired, of if potassium is administered too rapidly intravenously, potentially fatal hyperkalemia can result. It is important to recognize that hyperkalemia is usually asymptomatic and may be manifested only by an increased serum potassium concentration (6.5-8.0 mEq/L) and characteristic electrocardiographic changes (peaking of T-waves, loss of P-wave, depression of S-T segment, and prolongation of the QT interval). Late manifestations include muscle paralysis and cardiovascular collapse from cardiac arrest (9-12 mEq/L).","MechanismOfAction":"Supplemental potassium in the form of high potassium food or potassium chloride may be able to restore normal potassium levels.","Pharmacodynamics":"The potassium ion is in the principle intracellular cation of most body tissues. Potassium ions participate in a number of essential physiological processes including the maintenance of intracellular tonicity, the transmission of nerve impulses, the contraction of cardiac, skeletal and smooth muscle, and the maintenance of normal renal function. The intracellular concentration of potassium is approximately 150 to 160 mEq per liter. The normal adult plasma concentration is 3.5 to 5 mEq per liter. An active ion transport system maintains this gradient across the plasma membrane. Potassium is a normal dietary constituent and under steady-state conditions the amount of potassium absorbed from the gastrointestinal tract is equal to the amount excreted in the urine. The usual dietary intake of potassium is 50 to 100 mEq per day. Potassium depletion will occur whenever the rate of potassium loss through renal excretion and/or loss from the gastrointestinal tract exceeds the rate of potassium intake. Such depletion usually develops as a consequence of therapy with diuretics, primarily or secondary hyperaldosteronism, diabetic ketoacidosis, or inadequate replacement of potassium in patients on prolonged parenteral nutrition. Depletion can develop rapidly with severe diarrhea, especially if associated with vomiting. Potassium depletion due to these causes is usually accompanied by concomitant loss of chloride and is manifested by hypokalemia and metabolic alkalosis. Potassium depletion may produce weakness, fatigue, disturbances of cardiac rhythm (primarily ectopic beats), prominent U-waves in the electrocardiogram, and, in advanced cases, flaccid paralysis and/or impaired ability to concentrate urine. If potassium depletion associated with metabolic alkalosis cannot be managed by correcting the fundamental cause of the deficiency, e.g., where the patient requires long-term diuretic therapy, supplemental potassium in the form of high potassium food or potassium chloride may be able to restore normal potassium levels. In rare circumstances (e.g., patients with renal tubular acidosis) potassium depletion may be associated with metabolic acidosis and hyperchloremia. In such patients, potassium replacement should be accomplished with potassium salts other than the chloride, such as potassium bicarbonate, potassium citrate, potassium acetate, or potassium gluconate.","Absorption":"Potassium is a normal dietary constituent and under steady-state conditions the amount of potassium absorbed from the gastrointestinal tract is equal to the amount excreted in the urine.","Interactions":[{"ID":"DB00771"},{"ID":"DB00966"},{"ID":"DB01409"},{"ID":"DB01036"},{"ID":"DB00519"},{"ID":"DB00376"},{"ID":"DB00662"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00762","Name":"Irinotecan","DrugType":"small molecule","HalfLife":"The half life of irinotecan is about 6 - 12 hours. The terminal elimination half-life of the active metabolite, SN-38 is 10 - 20 hours. ","Description":"Irinotecan is an antineoplastic enzyme inhibitor primarily used in the treatment of colorectal cancer. It is a derivative of camptothecin that inhibits the action of topoisomerase I. Irinotecan prevents religation of the DNA strand by binding to topoisomerase I-DNA complex, and causes double-strand DNA breakage and cell death. It is a derivative of camptothecin. ","Classification":{"Description":"This compound belongs to the camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).","DirectParent":"Camptothecins","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Camptothecins","SubClass":""},"Indication":"For the treatment of metastatic colorectal cancer (first-line therapy when administered with 5-fluorouracil and leucovorin). Also used in combination with cisplatin for the treatment of extensive small cell lung cancer. Irinotecan is currently under investigation for the treatment of metastatic or recurrent cervical cancer.","Toxicity":"Gastrointestinal complications, such as nausea, vomiting, abdominal cramping, diarrhea, and infection.","MechanismOfAction":"Irinotecan inhibits the action of topoisomerase I. Irinotecan prevents religation of the DNA strand by binding to topoisomerase I-DNA complex. The formation of this ternary complex interferes with the moving replication fork, which induces replication arrest and lethal double-stranded breaks in DNA. As a result, DNA damage is not efficiently repaired and apoptosis (programmed cell death) occurs.","Pharmacodynamics":"Irinotecan is an antineoplastic enzyme inhibitor primarily used in the treatment of colorectal cancer. Irinotecan is a semisynthetic derivative of camptothecin. Camptothecins interact specifically with topoisomerase I, an enzyme in the cell nucleus that regulates DNA topology and facilitates nuclear processes such as DNA replication, recombination, and repair. During these processes, topoisomerase I relieves torsional strain in DNA by inducing reversible single-strand breaks, allowing single DNA strands to pass through the break. The 3'-DNA terminus of the broken DNA strands bind covalently with the topoisomerase enzyme to form a catalytic intermediate called a cleavable complex. After the DNA is sufficiently relaxed and the strand passage reaction is complete, DNA topoisomerase reattaches the broken DNA strands to form the chemically unaltered topoisomers that allow transcription to proceed. Irinotecan and its active metabolite SN-38 bind to the topoisomerase I-DNA complex and prevent religation of these single-strand breaks. Current research suggests that the cytotoxicity of irinotecan is due to double-strand DNA damage produced during DNA synthesis when replication enzymes interact with the ternary complex formed by topoisomerase I, DNA, and either Irinotecan or SN-38. Mammalian cells cannot efficiently repair these double-strand breaks. The precise contribution of SN-38 to the activity of irinotecan in humans is not known. Irinotecan is cell cycle phase-specific (S-phase).","Absorption":"The maximum plasma concentration (Cmax) when a dose of 125 mg/m^2 is given to patients with solid tumours is 1660 ng/mL. The AUC (0-24) is 10,200 ng·h/mL. The Cmax when a dose of 340 mg/m^2 is given to patients with solid tumours is 3392 ng/mL. The AUC (0-24) is 20,604 ng·h/mL.","Interactions":[{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00112"},{"ID":"DB01320"},{"ID":"DB01026"},{"ID":"DB06589"},{"ID":"DB00252"},{"ID":"DB08896"},{"ID":"DB00976"},{"ID":"DB04572"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000103","Name":"Irinotecan Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00433","Drugs":["DB00762","DB03435"]},{"ID":"SMP00600","Drugs":["DB00762","DB03435"]}]},{"ID":"DB00763","Name":"Methimazole","DrugType":"small molecule","HalfLife":"5-6 hours","Description":"A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme. [PubChem]","Classification":{"Description":"This compound belongs to the imidazolethiones. These are aromatic compounds containing an imidazole ring which bears a thioketone group.","DirectParent":"Imidazolethiones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolines","SubClass":"Imidazolines"},"Indication":"For the treatment of hyperthyroidism, goiter, Graves disease and psoriasis.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is 2250 mg/kg. Symptoms of overdose include nausea, vomiting, epigastric distress, headache, fever, joint pain, pruritus, and edema. Aplastic anemia (pancy-topenia) or agranulocytosis may be manifested in hours to days. Less frequent events are hepatitis, nephrotic syndrome, exfoliative dermatitis, neuropathies, and CNS stimulation or depression.","MechanismOfAction":"Methimazole binds to thyroid peroxidase and thereby inhibits the conversion of iodide to iodine. Thyroid peroxidase normally converts iodide to iodine (via hydrogen peroxide as a cofactor) and also catalyzes the incorporation of the resulting iodide molecule onto both the 3 and/or 5 positions of the phenol rings of tyrosines found in thyroglobulin. Thyroglobulin is degraded to produce thyroxine (T4) and tri-iodothyronine (T3), which are the main hormones produced by the thyroid gland. So methimazole effectively inhibits the production of new thyroid hormones.","Pharmacodynamics":"Used in the treatment of hyperthyroidism or an overactive thyroid gland, methimazole inhibits the synthesis of thyroid hormones and thus is effective in the treatment of hyperthyroidism. It may also be used to ameliorate hyperthyroidism in preparation for subtotal thyroidectomy or radioactive iodine therapy.","Absorption":"Rapid with an oral bioavailability of 93%.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00764","Name":"Mometasone","DrugType":"small molecule","HalfLife":"5.8 hours","Description":"Mometasone is a medium-potency synthetic corticosteroid with antiinflammatory, antipruritic, and vasoconstrictive properties. Studies in asthmatic patients have demonstrated that mometasone provides a favorable ratio of topical to systemic activity due to its primary local effect along with the extensive hepatic metabolism and the lack of active metabolites. Though effective for the treatment of asthma, glucocorticoids do not affect asthma symptoms immediately. Maximum improvement in symptoms following inhaled administration of mometasone furoate may not be achieved for 1 to 2 weeks or longer after starting treatment. he antiinflammatory actions of corticosteroids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"The inhaler is indicated for the maintenance treatment of asthma as prophylactic therapy. The nasal spray is indicated for the treatment of the nasal symptoms of seasonal allergic and perennial allergic rhinitis.","Toxicity":"The potential for acute toxic effects following overdose with the mometasone inhaler is low. However, habitual overuse of the product can cause symptoms of steroid overload, including menstrual irregularities, acne, obesity, and muscle weakness. Single oral doses up to 8000 \u0026micro;g have been studied on human volunteers with no adverse events reported.","MechanismOfAction":"Unbound corticosteroids cross cell membranes and bind with high affinity to specific cytoplasmic receptors. Inflammation is decreased by diminishing the release of leukocytic acid hydrolases, prevention of macrophage accumulation at inflamed sites, interference with leukocyte adhesion to the capillary wall, reduction of capillary membrane permeability, reduction of complement components, inhibition of histamine and kinin release, and interference with the formation of scar tissue. The antiinflammatory actions of corticosteroids are thought to involve phospholipase A\u003csub\u003e2\u003c/sub\u003e inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Mometasone furoate has been shown in vitro to exhibit a binding affinity for the human glucocorticoid receptor which is approximately 12 times that of dexamethasone, 7 times that of triamcinolone acetonide, 5 times that of budesonide, and 1.5 times that of fluticasone.","Pharmacodynamics":"Mometasone is a medium-potency synthetic corticosteroid with antiinflammatory, antipruritic, and vasoconstrictive properties. Studies in asthmatic patients have demonstrated that mometasone provides a favorable ratio of topical to systemic activity due to its primary local effect along with the extensive hepatic metabolism and the lack of active metabolites. Though effective for the treatment of asthma, glucocorticoids do not affect asthma symptoms immediately. Maximum improvement in symptoms following inhaled administration of mometasone furoate may not be achieved for 1 to 2 weeks or longer after starting treatment. When glucocorticoids are discontinued, asthma stability may persist for several days or longer. Mometasone has been shown in vitro to exhibit a binding affinity for the human glucocorticoid receptor which is approximately 12 times that of dexamethasone, 7 times that of triamcinolone acetonide, 5 times that of budesonide, and 1.5 times that of fluticasone. The clinical significance of these findings is unknown.","Absorption":"Nasal spray is virtually undetectable in plasma","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00765","Name":"Metyrosine","DrugType":"small molecule","HalfLife":"3.4 to 3.7 hours","Description":"An inhibitor of the enzyme tyrosine 3-monooxygenase, and consequently of the synthesis of catecholamines. It is used to control the symptoms of excessive sympathetic stimulation in patients with pheochromocytoma. (Martindale, The Extra Pharmacopoeia, 30th ed)","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"For use in the treatment of patients with pheochromocytoma, for preoperative preparation of patients for surgery, management of patients when surgery is contraindicated, and chronic treatment of patients with malignant pheochromocytoma.","Toxicity":"Signs of metyrosine overdosage include those central nervous system effects observed in some patients even at low dosages. At doses exceeding 2000 mg/day, some degree of sedation or feeling of fatigue may persist. Doses of 2000-4000 mg/day can result in anxiety or agitated depression, neuromuscular effects (including fine tremor of the hands, gross tremor of the trunk, tightening of the jaw with trismus), diarrhea, and decreased salivation with dry mouth. The acute toxicity of metyrosine was 442 mg/kg and 752 mg/kg in the female mouse and rat respectively.","MechanismOfAction":"Metyrosine inhibits tyrosine hydroxylase, which catalyzes the first transformation in catecholamine biosynthesis, i.e., the conversion of tyrosine to dihydroxyphenylalanine (DOPA). Because the first step is also the rate-limiting step, blockade of tyrosine hydroxylase activity results in decreased endogenous levels of catecholamines and their synthesis. This consequently, depletes the levels of the catecholamines dopamine, adrenaline and noradrenaline in the body,usually measured as decreased urinary excretion of catecholamines and their metabolites. One main end result of the catecholamine depletion is a decrease in blood presure.","Pharmacodynamics":"In patients with pheochromocytoma, who produce excessive amounts of norepinephrine and epinephrine, administration of one to four grams of metyrosine per day has reduced catecholamine biosynthesis from about 35 to 80 percent as measured by the total excretion of catecholamines and their metabolites (metanephrine and vanillylmandelic acid). The maximum biochemical effect usually occurs within two to three days, and the urinary concentration of catecholamines and their metabolites usually returns to pretreatment levels within three to four days after metyrosine is discontinued. Most patients with pheochromocytoma treated with metyrosine experience decreased frequency and severity of hypertensive attacks with their associated headache, nausea, sweating, and tachycardia. In patients who respond, blood pressure decreases progressively during the first two days of therapy with metyrosine; after withdrawal, blood pressure usually increases gradually to pretreatment values within two to three days.","Absorption":"Well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01551"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00766","Name":"Clavulanate","DrugType":"small molecule","HalfLife":"1.0 hour","Description":"Clavulanic acid and its salts and esters. The acid is a suicide inhibitor of bacterial beta-lactamase enzymes from Streptomyces clavuligerus. Administered alone, it has only weak antibacterial activity against most organisms, but given in combination with beta-lactam antibiotics prevents antibiotic inactivation by microbial lactamase. [PubChem]","Classification":{"Description":"This compound belongs to the clavams. These are organic compounds containing a 4-oxa-1-azabicyclo[3.2.0]heptan-7-one moiety. Clavams are similar to penams, but with an oxygen substituted for the sulfur in the penam skeleton.","DirectParent":"Clavams","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For use with Amoxicillin, clavulanic acid is suitable for the treatment of infections with \u003ci\u003eStaph. aureus\u003c/i\u003e and \u003ci\u003eBacteroides fragilis\u003c/i\u003e, or with beta-lactamase producing \u003ci\u003eH. influenzae\u003c/i\u003e and \u003ci\u003eE. coli\u003c/i\u003e.","Toxicity":"Gastrointestinal symptoms including stomach and abdominal pain, vomiting, and diarrhea. Rash, hyperactivity, or drowsiness have also been observed in a small number of patients","MechanismOfAction":"Clavulanic acid competitively and irreversibly inhibits a wide variety of beta-lactamases, commonly found in microorganisms resistant to penicillins and cephalosporins. Binding and irreversibly inhibiting the beta-lactamase results in a restauration of the antimicrobial activity of beta-lactam antibiotics against lactamase-secreting-resistant bacteria. By inactivating beta-lactamase (the bacterial resistance protein), the accompanying penicillin/cephalosporin drugs may be made more potent as well.","Pharmacodynamics":"Clavulanic acid, produced by the fermentation of \u003ci\u003eStreptomyces Clavuligerus\u003c/i\u003e, is a beta-lactam structurally related to the penicillins. Clavulanic acid is used in conjunction with amoxicillin for the treatment of bronchitis and urinary tract, skin, and soft tissue infections caused by beta-lactamase producing organisms.","Absorption":"75%","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00767","Name":"Benzquinamide","DrugType":"small molecule","HalfLife":"1-1.6 hours (for all formulations)","Description":"Benzquinamide is a discontinued antiemetic compound with antihistaminic, mild anticholinergic, and sedative properties. The mechanism of action is not known, but presumably benzquinamide works via antagonism of muscarinic acetycholine receptors and histamine H1 receptors. ","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"Used to prevent and treat nausea and vomiting associated with anesthesia and surgery, administered intramuscularly or intravenously.","Toxicity":"","MechanismOfAction":"The mechanism of action is not known, but presumably benzquinamide works via antagonism of muscarinic acetycholine receptors and histamine H1 receptors.","Pharmacodynamics":"Benzquinamide is an antiemetic compound with antihistaminic, mild anticholinergic, and sedative properties.","Absorption":"Incomplete, with 33\u0026ndash;39% bioavailability via the capsule and suppository routes, relative to the intramuscular route.","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00768","Name":"Olopatadine","DrugType":"small molecule","HalfLife":"3 hours","Description":"Used to treat allergic conjunctivitis (itching eyes), olopatadine inhibits the release of histamine from mast cells. It is a relatively selective histamine H1 antagonist that inhibits the in vivo and in vitro type 1 immediate hypersensitivity reaction including inhibition of histamine induced effects on human conjunctival epithelial cells.","Classification":{"Description":"This compound belongs to the dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.","DirectParent":"Dibenzoxepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxepines","SubClass":"Dibenzoxepines"},"Indication":"For the treatment of ocular itching associated with allergic conjunctivitis.","Toxicity":"","MechanismOfAction":"Olopatadine is a selective histamine H1 antagonist that binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. Olopatadine is devoid of effects on alpha-adrenergic, dopamine and muscarinic type 1 and 2 receptors.","Pharmacodynamics":"Used to treat allergic conjunctivitis (itching eyes), olopatadine inhibits the release of histamine from mast cells. It is a relatively selective histamine H1 antagonist that inhibits the in vivo and in vitro type 1 immediate hypersensitivity reaction including inhibition of histamine induced effects on human conjunctival epithelial cells.","Absorption":"Ophthalmic use of olopatadine usually does not produce measurable plasma concentrations.","Interactions":null,"Salts":[{"ID":"DBSALT000685","Name":"Olopatadine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00769","Name":"Hydrocortamate","DrugType":"small molecule","HalfLife":"","Description":"Hydrocortamate is a synthetic glucocorticoid used for its anti-inflammatory or immunosuppressive properties to treat inflammation due to corticosteroid-responsive dermatoses. Glucocorticoids are a class of steroid hormones characterised by an ability to bind with the cortisol receptor and trigger a variety of important cardiovascular, metabolic, immunologic and homeostatic effects.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"Used topically as an antiinflammatory in the treatment of steroid-responsive dermatoses","Toxicity":"Side effects include burning, itching, irritation, dryness, folliculitis, hypertrichosis, acneiform eruptions, hypopigmentation, perioral dermatitis, allergic contact dermatitis, maceration of the skin, secondary infection, skin atrophy, striae, miliaria.","MechanismOfAction":"Hydrocortamate binds to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. The immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding.","Pharmacodynamics":"Hydrocortamate is a synthetic glucocorticoid used for its anti-inflammatory or immunosuppressive properties to treat inflammation due to corticosteroid-responsive dermatoses. Glucocorticoids are a class of steroid hormones characterised by an ability to bind with the cortisol receptor and trigger a variety of important cardiovascular, metabolic, immunologic and homeostatic effects. Glucocorticoids are distinguished from mineralocorticoids and sex steroids by having different receptors, target cells, and effects. Technically, the term corticosteroid refers to both glucocorticoids and mineralocorticoids, but is often used as a synonym for glucocorticoid. Glucocorticoids suppress cell-mediated immunity. They act by inhibiting genes that code for the cytokines IL-1, IL-2, IL-3, IL-4, IL-5, IL-6, IL-8 and TNF-alpha, the most important of which is the IL-2. Reduced cytokine production limits T cell proliferation. Glucocorticoids also suppress humoral immunity, causing B cells to express lower amounts of IL-2 and IL-2 receptors. This diminishes both B cell clonal expansion and antibody synthesis. The diminished amounts of IL-2 also leads to fewer T lymphocyte cells being activated.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000686","Name":"Hydrocortamate Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00770","Name":"Alprostadil","DrugType":"small molecule","HalfLife":"5 to 10 minutes (after a single dose), in healthy adults and neonates.","Description":"Alprostadil is produced endogenously and causes vasodilation by means of a direct effect on vascular and ductus arteriosus (DA) smooth muscle, preventing or reversing the functional closure of the DA that occurs shortly after birth. This results in increased pulmonary or systemic blood flow in infants. In infants, it is used for palliative, not definitive, therapy to temporarily maintain the patency of the ductus arteriosus until corrective or palliative surgery can be performed in neonates who have congenital heart defects and who depend upon the patent ductus for survival. In adults, it is used for the treatment of erectile dysfunction due to neurogenic, vasculogenic, psychogenic, or mixed etiology.","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"For palliative, not definitive, therapy to temporarily maintain the patency of the ductus arteriosus until corrective or palliative surgery can be performed in neonates who have congenital heart defects and who depend upon the patent ductus for survival. Also for the treatment of erectile dysfunction due to neurogenic, vasculogenic, psychogenic, or mixed etiology.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 186 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 228 mg/kg. Apnea, bradycardia, pyrexia, hypotension, and flushing may be signs of drug overdosage.","MechanismOfAction":"Alprostadil causes vasodilation by means of a direct effect on vascular and ductus arteriosus (DA) smooth muscle, preventing or reversing the functional closure of the DA that occurs shortly after birth. This is because, as a form of prostaglandinE1 (PGE1) it has multiple effects on blood flow. This results in increased pulmonary or systemic blood flow in infants. In cyanotic congenital heart disease, alprostadil's actions result in an increased oxygen supply to the tissues. In infants with interrupted aortic arch or very severe aortic coarctation, alprostadil maintains distal aortic perfusion by permitting blood flow through the DA from the pulmonary artery to the aorta. In infants with aortic coarctation, alprostadil reduces aortic obstruction either by relaxing ductus tissue in the aortic wall or by increasing effective aortic diameter by dilating the DA. In infants with these aortic arch anomalies, systemic blood flow to the lower body is increased, improving tissue oxygen supply and renal perfusion. When administered by intracavernosal injection or as an intraurethral suppository, alprostadil acts locally to relax the trabecular smooth muscle of the corpora cavernosa and the cavernosal arteries. Swelling, elongation, and rigidity of the penis result when arterial blood rapidly flows into the corpus cavernosum to expand the lacunar spaces. The entrapped blood reduces the venous blood outflow as sinusoids compress against the tunica albuginea.","Pharmacodynamics":"Alprostadil (prostaglandin E1) is produced endogenously to relax vascular smooth muscle and cause vasodilation. In adult males, the vasodilatory effects of alprostadil on the cavernosal arteries and the trabecular smooth muscle of the corpora cavernosa result in rapid arteriolar inflow and expansion of the lacunar spaces within the corpora.\u0026nbsp;As the expanded corporal sinusoids are compressed against the tunica albuginea, venous outflow through the subtunical vessels is impeded and penile rigidity develops.\u0026nbsp;This is referred to as the corporal veno-occlusive mechanism. In infants, the vasodilatory effects of alprostadil increase pulmonary or systemic blood flow.","Absorption":"The absolute bioavailability of alprostadil has not been determined.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00771","Name":"Clidinium","DrugType":"small molecule","HalfLife":"","Description":"Clidinium is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract. It inhibits muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites. It is used for the treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome.","Toxicity":"Signs of toxicity include confusion, paralytic ileus, urinary hesitancy/retention, and blurred vision.","MechanismOfAction":"Inhibits muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites primarily by inhibiting the M1 muscarinic receptors.","Pharmacodynamics":"Clidinium is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00761"},{"ID":"DB01278"},{"ID":"DB00021"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000958","Name":"Clidinium Bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00772","Name":"Malathion","DrugType":"small molecule","HalfLife":"8-24 hours","Description":"Malathion is a parasympathomimetic organophosphate compound that is used as an insecticide for the treatment of head lice. Malathion is an irreversible cholinesterase inhibitor and has low human toxicity. ","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"For patients infected with Pediculus humanus capitis (head lice and their ova) of the scalp hair.","Toxicity":"Malathion is slightly toxic via the oral route, with reported oral LD\u003csub\u003e50\u003c/sub\u003e values of 1000 mg/kg to greater than 10,000 mg/kg in the rat. It is also slightly toxic via the dermal route, with reported dermal LD\u003csub\u003e50\u003c/sub\u003e values of greater than 4000 mg/kg in rats. Moderate poisoning can result in chest tightness, difficulty breathing, bradycardia, tachycardia, tremor/ataxia, blurred vision, and confusion. Severe, life-threatening signs include coma, seizures, respiratory arrest, and paralysis. Malathion may also be irritating to the skin and eyes.","MechanismOfAction":"Malathion is a nonsystemic, wide-spectrum organophosphate insecticide. It inhibits acetylcholinesterase activity of most eukaryotes. Malathion is toxic to aquatic organisms, but has a relatively low toxicity for birds and mammals. The major metabolites of malathion are mono- and di-carboxylic acid derivatives, and malaoxon is a minor metabolite. However, it is malaoxon that is the strongest cholinesterase inhibitor. Cholinesterases catalyze the hydrolysis of the neurotransmitter acetylcholine into choline and acetic acid, a reaction necessary to allow a cholinergic neuron to return to its resting state after activation. Because of its essential function, chemicals that interfere with the action of cholinesterase are potent neurotoxins, causing muscle spasms and ultimately death.","Pharmacodynamics":"Malathion is an organophosphate insecticide commonly used to control mosquitos and other flying insects. Pharmaceutically, malathion is used to eliminate head lice. The principal toxicological effect of malathion is cholinesterase inhibition, due primarily to malaoxon and to phosphorus thionate impurities.","Absorption":"Malathion in an acetone vehicle has been reported to be absorbed through normal human skin only to the extent of 8% of the applied dose. Absorption may be increased when malathion is applied to damaged skin. Malathion is rapidly and effectively absorbed by practically all routes including the gastrointestinal tract, skin, mucous membranes, and lungs. However, it is readily excreted in the urine, and does not accumulate in organs or tissues.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00773","Name":"Etoposide","DrugType":"small molecule","HalfLife":"4-11 hours","Description":"A semisynthetic derivative of podophyllotoxin that exhibits antitumor activity. Etoposide inhibits DNA synthesis by forming a complex with topoisomerase II and DNA. This complex induces breaks in double stranded DNA and prevents repair by topoisomerase II binding. Accumulated breaks in DNA prevent entry into the mitotic phase of cell division, and lead to cell death. Etoposide acts primarily in the G2 and S phases of the cell cycle. [PubChem]","Classification":{"Description":"This compound belongs to the podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one).","DirectParent":"Podophyllotoxins","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"Lignan Lactones","SubClass":"Podophyllotoxins"},"Indication":"For use in combination with other chemotherapeutic agents in the treatment of refractory testicular tumors and as first line treatment in patients with small cell lung cancer. Also used to treat other malignancies such as lymphoma, non-lymphocytic leukemia, and glioblastoma multiforme.","Toxicity":"Side effects include alopecia, constipation, diarrhea, nausea and vomiting and secondary malignancies (leukemia).","MechanismOfAction":"Etoposide inhibits DNA topoisomerase II, thereby inhibiting DNA re-ligation. This causes critical errors in DNA synthesis at the premitotic stage of cell division and can lead to apoptosis of the cancer cell. Etoposide is cell cycle dependent and phase specific, affecting mainly the S and G2 phases of cell division. Inhibition of the topoisomerase II alpha isoform results in the anti-tumour activity of etoposide. The drug is also capable of inhibiting the beta isoform but inhibition of this target is not associated with the anti-tumour activity. It is instead associated with the carcinogenic effect. ","Pharmacodynamics":"Etoposide is an antineoplastic agent and an epipodophyllotoxin (a semisynthetic derivative of the podophyllotoxins). It inhibits DNA topoisomerase II, thereby ultimately inhibiting DNA synthesis. Etoposide is cell cycle dependent and phase specific, affecting mainly the S and G2 phases. Two different dose-dependent responses are seen. At high concentrations (10 \u0026micro;g/mL or more), lysis of cells entering mitosis is observed. At low concentrations (0.3 to 10 \u0026micro;g/mL), cells are inhibited from entering prophase. It does not interfere with microtubular assembly. The predominant macromolecular effect of etoposide appears to be the induction of DNA strand breaks by an interaction with DNA-topoisomerase II or the formation of free radicals.","Absorption":"Absorbed well, time to peak plasma concentration is 1-1.5 hrs. Mean bioavailability is 50% (range of 25% - 75%). Cmax and AUC values for orally administered etoposide capsules display intra- and inter-subject variability. There is no evidence of first-pass effect for etoposide. ","Interactions":[{"ID":"DB00673"},{"ID":"DB00091"},{"ID":"DB01369"},{"ID":"DB00976"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000070","Name":"Etoposide Phosphate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00442","Drugs":["DB00773","DB01373","DB03435"]},{"ID":"SMP00601","Drugs":["DB00773","DB01373","DB03435"]}]},{"ID":"DB00774","Name":"Hydroflumethiazide","DrugType":"small molecule","HalfLife":"It appears to have a biphasic biological half-life with an estimated alpha-phase of about 2 hours and an estimated beta-phase of about 17 hours","Description":"A thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p822)","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"Used as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. Also used in the management of hypertension either as the sole therapeutic agent or to enhance the effect of other antihypertensive drugs in the more severe forms of hypertension.","Toxicity":"Overdoses lead to diuresis, lethargy progressing to coma, with minimal cardiorespiratory depression and with or without significant serum electrolyte changes or dehydration.","MechanismOfAction":"Hydroflumethiazide is a thiazide diuretic that inhibits water reabsorption in the nephron by inhibiting the sodium-chloride symporter (SLC12A3) in the distal convoluted tubule, which is responsible for 5% of total sodium reabsorption. Normally, the sodium-chloride symporter transports sodium and chloride from the lumen into the epithelial cell lining the distal convoluted tubule. The energy for this is provided by a sodium gradient established by sodium-potassium ATPases on the basolateral membrane. Once sodium has entered the cell, it is transported out into the basolateral interstitium via the sodium-potassium ATPase, causing an increase in the osmolarity of the interstitium, thereby establishing an osmotic gradient for water reabsorption. By blocking the sodium-chloride symporter, Hydroflumethiazide effectively reduces the osmotic gradient and water reabsorption throughout the nephron.","Pharmacodynamics":"Hydroflumethiazide is an oral thiazide used to treat hypertension and edema. High blood pressure adds to the workload of the heart and arteries. If it continues for a long time, the heart and arteries may not function properly. This can damage the blood vessels of the brain, heart, and kidneys, resulting in a stroke, heart failure, or kidney failure. High blood pressure may also increase the risk of heart attacks. Like other thiazides, Hydroflumethiazide promotes water loss from the body (diuretics). Thiazides inhibit Na+/Cl- reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue.","Absorption":"Hydroflumethiazide is incompletely but fairly rapidly absorbed from the gastrointestinal tract","Interactions":[{"ID":"DB00390"},{"ID":"DB01356"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00108","Drugs":["DB00151","DB00774","DB01345","DB03904"]}]},{"ID":"DB00775","Name":"Tirofiban","DrugType":"small molecule","HalfLife":"2 hours","Description":"Tirofiban prevents the blood from clotting during episodes of chest pain or a heart attack, or while the patient is undergoing a procedure to treat a blocked coronary artery. It is a non-peptide reversible antagonist of the platelet glycoprotein (GP) IIb/IIIa receptor, and inhibits platelet aggregation.","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"For treatment, in combination with heparin, of acute coronary syndrome, including patients who are to be managed medically and those undergoing PTCA or atherectomy.","Toxicity":"","MechanismOfAction":"Tirofiban is a reversible antagonist of fibrinogen binding to the GP IIb/IIIa receptor, the major platelet surface receptor involved in platelet aggregation. Platelet aggregation inhibition is reversible following cessation of the infusion of tirofiban.","Pharmacodynamics":"Tirofiban prevents the blood from clotting during episodes of chest pain or a heart attack, or while the patient is undergoing a procedure to treat a blocked coronary artery. It is a non-peptide antagonist of the platelet glycoprotein (GP) IIb/IIIa receptor, and inhibits platelet aggregation. When administered intravenously, tirofiban inhibits ex vivo platelet aggregation in a dose- and concentration-dependent manner. When given according to the recommended regimen, \u003e90% inhibition is attained by the end of the 30-minute infusion. Tirofiban has been recently shown in patients with unstable angina to reduce ischemic events at 48 hours following infusion when compared to standard heparin therapy.","Absorption":"","Interactions":[{"ID":"DB00054"},{"ID":"DB00063"},{"ID":"DB01381"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00267","Drugs":["DB00775"]}]},{"ID":"DB00776","Name":"Oxcarbazepine","DrugType":"small molecule","HalfLife":"The half-life of the parent is about 2 hours, while the half-life of MHD is about 9 hours, so that MHD is responsible for most anti-epileptic activity.","Description":"Oxcarbazepine is structurally a derivative of carbamazepine, adding an extra oxygen atom to the benzylcarboxamide group. This difference helps reduce the impact on the liver of metabolizing the drug, and also prevents the serious forms of anemia occasionally associated with carbamazepine. Aside from this reduction in side effects, it is thought to have the same mechanism as carbamazepine - sodium channel inhibition - and is generally used to treat partial seizures in epileptic children and adults.","Classification":{"Description":"This compound belongs to the dibenzazepines. These are compounds with two benzene rings connected by an azepine ring.","DirectParent":"Dibenzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":"Dibenzazepines"},"Indication":"For use as monotherapy or adjunctive therapy in the treatment of partial seizures in adults with epilepsy and as adjunctive therapy in the treatment of partial seizures in children ages 4-16 with epilepsy.","Toxicity":"Isolated cases of overdose with oxcarbazepine have been reported. The maximum dose taken was approximately 24,000 mg. All patients recovered with symptomatic treatment.","MechanismOfAction":"The exact mechanism by which oxcarbazepine exerts its anticonvulsant effect is unknown. It is known that the pharmacological activity of oxcarbazepine occurs primarily through its 10-monohydroxy metabolite (MHD). In vitro studies indicate an MHD-induced blockade of voltage-sensitive sodium channels, resulting in stabilization of hyperexcited neuronal membranes, inhibition of repetitive neuronal discharges, and diminution of propagation of synaptic impulses.","Pharmacodynamics":"Oxcarbazepine is structurally a derivative of carbamazepine, adding an extra oxygen atom to the benzylcarboxamide group. This difference helps reduce the impact on the liver of metabolizing the drug, and also prevents the serious forms of anemia occasionally associated with carbamazepine. Aside from this reduction in side effects, it is thought to have the same mechanism as carbamazepine - sodium channel inhibition - and is generally used to treat the same conditions.","Absorption":"Completely absorbed following oral administration. Food has no effect on the rate and extent of absorption of oxcarbazepine. After single-dose administration of Trileptal tablets to healthy male volunteers under fasted conditions, the median tmax was 4.5 (range 3 to 13) hours. After single-dose administration of Trileptal oral suspension to healthy male volunteers under fasted conditions, the median tmax was six hours. Steady-state plasma concentrations of MHD are reached within 2-3 days in patients when Trileptal is given twice a day.","Interactions":[{"ID":"DB00091"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB01023"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00252"},{"ID":"DB08864"},{"ID":"DB01656"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB08867"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00634","Drugs":["DB00564","DB00776"]}]},{"ID":"DB00777","Name":"Propiomazine","DrugType":"small molecule","HalfLife":"","Description":"Propiomazine, an atypical antipsychotic agent, is used to treat both negative and positive symptoms of schizophrenia, acute mania with bipolar disorder, agitation, and psychotic symptoms in dementia. Future uses may include the treatment of obsessive-compulsive disorder and severe behavioral disorders in autism. Structurally and pharmacologically similar to clozapine, propiomazine binds to alpha(1), dopamine, histamine H1, muscarinic, and serotonin type 2 (5-HT2) receptors.","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Propiomazine is largely used for its antihistamininc sleep inducing effects in treating insomnia.","Toxicity":"Rare, serious side effects include convulsions (seizures); difficult or unusually fast breathing; fast or irregular heartbeat or pulse; fever (high); high or low blood pressure; loss of bladder control; muscle stiffness (severe); unusual increase in sweating; unusually pale skin; and unusual tiredness or weakness.","MechanismOfAction":"Propiomazine is an antagonist at types 1, 2, and 4 dopamine receptors, serotonin (5-HT) receptor types 2A and 2C, muscarinic receptors 1 through 5, alpha(1)-receptors, and histamine H1-receptors. Its main use as a sedative is due to its antihistamine effect.","Pharmacodynamics":"Although propiomazine is a phenothiazine, it is not used as an antipsychotic. It posesses antihistamine effects and is mostly used as a sedative in treating insomnia.","Absorption":"","Interactions":[{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB00937"},{"ID":"DB00574"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB00579"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00342"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00778","Name":"Roxithromycin","DrugType":"small molecule","HalfLife":"12 hours","Description":"Roxithromycin is a semi-synthetic macrolide antibiotic. It is very similar in composition, chemical structure and mechanism of action to erythromycin, azithromycin, or clarithromycin. Roxithromycin prevents bacteria from growing, by interfering with their protein synthesis. Roxithromycin binds to the subunit 50S of the bacterial ribosome, and thus inhibits the translocation of peptides. Roxithromycin has similar antimicrobial spectrum as erythromycin, but is more effective against certain gram-negative bacteria, particularly Legionella pneumophila. It can treat respiratory tract, urinary and soft tissue infections. It is not available in the United States, but is available in Australia. ","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"Used to treat respiratory tract, urinary and soft tissue infections.","Toxicity":"Most common side-effects are gastrointestinal; diarrhoea, nausea, abdominal pain and vomiting. Less common side-effects include headaches, rashes, abnormal liver function values and alteration in senses of smell and taste.","MechanismOfAction":"Roxithromycin prevents bacteria from growing, by interfering with their protein synthesis. Roxithromycin binds to the subunit 50S of the bacterial ribosome, and thus inhibits the translocation of peptides. Roxithromycin has similar antimicrobial spectrum as erythromycin, but is more effective against certain gram-negative bacteria, particularly \u003ci\u003eLegionella pneumophila\u003c/i\u003e.","Pharmacodynamics":"Roxithromycin is a semi-synthetic macrolide antibiotic. It is very similar in composition, chemical structure and mechanism of action to erythromycin, azithromycin, or clarithromycin. Roxithromycin has the following antibacterial spectrum \u003ci\u003ein vitro\u003c/i\u003e: \u003ci\u003eStreptococcus agalactiae\u003c/i\u003e, \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e (Pneumococcus), \u003ci\u003eNeisseria meningitides\u003c/i\u003e (Meningococcus), \u003ci\u003eListeria monocytogenes\u003c/i\u003e, \u003ci\u003eMycoplasma pneumoniae\u003c/i\u003e, \u003ci\u003eChlamydia trachomatis\u003c/i\u003e, \u003ci\u003eUreaplasma urealyticum\u003c/i\u003e, \u003ci\u003eLegionella pneumophila\u003c/i\u003e, \u003ci\u003eHelicobacter\u003c/i\u003e (Campylobacter), \u003ci\u003eGardnerella vaginalis\u003c/i\u003e, \u003ci\u003eBordetella pertussis\u003c/i\u003e, \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e (\u003ci\u003eBranhamella Catarrhalis\u003c/i\u003e), and \u003ci\u003eHaemophilus ducreyi\u003c/i\u003e. Roxithromycin is highly concentrated in polymorphonuclear leukocytes and macrophages, achieving intracellular concentrations greater than those outside the cell. Roxithromycin enhances the adhesive and chemotactic functions of these cells which in the presence of infection produce phagocytosis and bacterial lysis. Roxithromycin also possesses intracellular bactericidal activity.","Absorption":"Very rapidly absorbed and diffused into most tissues and phagocytes.","Interactions":[{"ID":"DB00091"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":[{"ID":"SMP00251","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00778","DB01972","DB02431","DB03685"]}]},{"ID":"DB00779","Name":"Nalidixic Acid","DrugType":"small molecule","HalfLife":"1.1 to 2.5 hours in healthy adult patients, and up to 21 hours in patients with impaired renal function.","Description":"A synthetic 1,8-naphthyridine antimicrobial agent with a limited bacteriocidal spectrum. It is an inhibitor of the A subunit of bacterial DNA gyrase. [PubChem]","Classification":{"Description":"This compound belongs to the naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.","DirectParent":"Naphthyridine Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Naphthyridine Carboxylic Acids and Derivatives"},"Indication":"For the treatment of urinary tract infections caused by susceptible gram-negative microorganisms, including the majority of \u003ci\u003eE. Coli\u003c/i\u003e, \u003ci\u003eEnterobacter\u003c/i\u003e species, \u003ci\u003eKlebsiella\u003c/i\u003e species, and \u003ci\u003eProteus\u003c/i\u003e species.","Toxicity":"ORAL (LD\u003csub\u003e50\u003c/sub\u003e): Acute: 1160 mg/kg [Rat]. 572 mg/kg [Mouse]. Toxic psychosis, convulsions, increased intracranial pressure, or metabolic acidosis may occur in patients taking more than the recommended dosage. Vomiting, nausea, and lethargy may also occur following overdosage.","MechanismOfAction":"Evidence exists for Nalidixic acid that its active metabolite, hydroxynalidixic acid, binds strongly, but reversibly, to DNA, interfering with synthesis of RNA and, consequently, with protein synthesis.","Pharmacodynamics":"Nalidixic acid is a quinolone antibacterial agent for oral administration. Nalidixic acid has marked antibacterial activity against gram-negative bacteria including \u003ci\u003eEnterobacter\u003c/i\u003e species, \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eMorganella Morganii\u003c/i\u003e; \u003ci\u003eProteus Mirabilis\u003c/i\u003e, \u003ci\u003eProteus vulgaris\u003c/i\u003e, and \u003ci\u003eProvidencia rettgeri\u003c/i\u003e. \u003ci\u003ePseudomonas\u003c/i\u003e species are generally resistant to the drug. Nalidixic acid is bactericidal and is effective over the entire urinary pH range. Conventional chromosomal resistance to nalidixic acid taken in full dosage has been reported to emerge in approximately 2 to 14 percent of patients during treatment; however, bacterial resistance to nalidixic acid has not been shown to be transferable via R factor.","Absorption":"Following oral administration, nalidixic acid is rapidly absorbed from the gastrointestinal tract. Bioavailability is approximately 96%. Absorption may be delayed if taken with antacids.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00258"},{"ID":"DB00266"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00780","Name":"Phenelzine","DrugType":"small molecule","HalfLife":"1.2-11.6 hours following single dose administration. Multiple-dose pharmacokinetics have not been studied.","Description":"An irreversible non-selective inhibitor of monoamine oxidase. May be used to treat major depressive disorder.","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment of major depressive disorder. Has also been used with some success in the management of bulimia nervosa.","Toxicity":"Symptoms of overdose include drowsiness, dizziness, faintness, irritability, hyperactivity, agitation, severe headache, hallucinations, trismus, opisthotonos, convulsions and coma, rapid and irregular pulse, hypertension, hypotension and vascular collapse, precordial pain, respiratory depression and failure, hyperpyrexia, diaphoresis, and cool, clammy skin. Hypertensive crisis may occur with the ingestion of tyramine-rich foods such as cured meats, poultry or fish, aged cheeses, concentrated soy products, tap beer and wine, yeast extracts, broad bean pods and fava beans and sauerkraut.","MechanismOfAction":"Although the exact mechanism of action has not been determined, it appears that the irreversible, nonselective inhibition of MAO by phenelzine relieves depressive symptoms by causing an increase in the levels of serotonin, norepinephrine, and dopamine in the neuron.","Pharmacodynamics":"Phenelzine belongs to a class of antidepressants called monoamine oxidase inhibitors (MAOIs). MAO is an enzyme that catalyzes the oxidative deamination of a number of amines, including serotonin, norepinephrine, epinephrine, and dopamine. Two isoforms of MAO, A and B, are found in the body. MAO-A is mainly found within cells located in the periphery and catalyzes the breakdown of serotonin, norepinephrine, epinephrine, dopamine and tyramine. MAO-B acts on phenylethylamine, norepinephrine, epinephrine, dopamine and tyramine, is localized extracellularly and is found predominantly in the brain. While the mechanism of MAOIs is still unclear, it is thought that they act by increasing free serotonin and norepinephrine concentrations and/or by altering the concentrations of other amines in the CNS. It has been postulated that depression is caused by low levels of serotonin and/or norepinephrine and that increasing serotonergic and norepinephrinergic neurotransmission results in relief of depressive symptoms. MAO A inhibition is thought to be more relevant to antidepressant activity than MAO B inhibition. Selective MAO B inhibitors, such as selegiline, have no antidepressant effects. Response to therapy generally occurs 2 - 4 weeks following onset though some patients may not experience symptom relief for up to 8 weeks.","Absorption":"Readily absorbed after oral administration.","Interactions":[{"ID":"DB00918"},{"ID":"DB00488"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00182"},{"ID":"DB00289"},{"ID":"DB00865"},{"ID":"DB01393"},{"ID":"DB00484"},{"ID":"DB00921"},{"ID":"DB01156"},{"ID":"DB00490"},{"ID":"DB00215"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00514"},{"ID":"DB00937"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00494"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01175"},{"ID":"DB00574"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB01064"},{"ID":"DB01235"},{"ID":"DB00579"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB01577"},{"ID":"DB01403"},{"ID":"DB00723"},{"ID":"DB00422"},{"ID":"DB00211"},{"ID":"DB04896"},{"ID":"DB00370"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00368"},{"ID":"DB00540"},{"ID":"DB00816"},{"ID":"DB00715"},{"ID":"DB00454"},{"ID":"DB01579"},{"ID":"DB00191"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00344"},{"ID":"DB00852"},{"ID":"DB00989"},{"ID":"DB00953"},{"ID":"DB01001"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB00669"},{"ID":"DB00382"},{"ID":"DB00871"},{"ID":"DB04844"},{"ID":"DB00323"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB01831"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000954","Name":"Phenelzine Sulfate"},{"ID":"DBSALT000955","Name":"Phenelzine Sulphate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00781","Name":"Polymyxin B Sulfate","DrugType":"small molecule","HalfLife":"","Description":"Polymyxin B sulfate is a mixture of polymyxins B1 and B2, obtained from Bacillus polymyxa strains. They are basic polypeptides of about eight amino acids and have cationic detergent action on cell membranes. Polymyxin B is used for infections with gram-negative organisms, but may be neurotoxic and nephrotoxic. All gram-positive bacteria, fungi, and the gram-negative cocci, N. gonorrhea and N. menigitidis, are resistant. It is appropriate for treatment of infections of the urinary tract, meninges, and blood stream, caused by susceptible strains of Pseudomonas aeruginosa.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of infections of the urinary tract, meninges, and blood stream, caused by susceptible strains of \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e.","Toxicity":"Overdose can cause stomach pains, vomiting, and diarrhea.","MechanismOfAction":"Polymyxin B sulfate has a bactericidal action against almost all gram-negative bacilli except the Proteus group. Polymyxin B sulfate interacts with the lipopolysaccharide of the cytoplasmic outer membrane of Gram-negative bacteria, altering membrane permeability and causing cell death. It does not need to enter the cell.","Pharmacodynamics":"Polymyxin B sulfate is a mixture of polymyxins B1 and B2, obtained from \u003ci\u003eBacillus polymyxa\u003c/i\u003e strains. They are basic polypeptides of about eight amino acids and have cationic detergent action on cell membranes. Polymyxin B is used for infections with gram-negative organisms, but may be neurotoxic and nephrotoxic. All gram-positive bacteria, fungi, and the gram-negative cocci, \u003ci\u003eN. gonorrhea\u003c/i\u003e and \u003ci\u003eN. menigitidis\u003c/i\u003e, are resistant.","Absorption":"Not absorbed from the normal alimentary tract.","Interactions":[{"ID":"DB01339"}],"Salts":[{"ID":"DBSALT000950","Name":"Polymyxin B sulfate"},{"ID":"DBSALT000951","Name":"Polymyxin B Sulphate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00782","Name":"Propantheline","DrugType":"small molecule","HalfLife":"","Description":"A muscarinic antagonist used as an antispasmodic, in rhinitis, in urinary incontinence, and in the treatment of ulcers. At high doses it has nicotinic effects resulting in neuromuscular blocking. [PubChem]","Classification":{"Description":"This compound belongs to the xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene ring joined to each other by a pyran ring.","DirectParent":"Xanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Dibenzopyrans"},"Indication":"For the treatment of enuresis. It has also been used for hyperhidrosis, and cramps or spasms of the stomach, intestines or bladder.","Toxicity":"","MechanismOfAction":"Action is achieved via a dual mechanism: (1) a specific anticholinergic effect (antimuscarinic) at the acetylcholine-receptor sites and (2) a direct effect upon smooth muscle (musculotropic).","Pharmacodynamics":"Propantheline is an anticholinergic drug, a medication that reduces the effect of acetylcholine, a chemical released from nerves that stimulates muscles, by blocking the receptors for acetylcholine on smooth muscle (a type of muscle). It also has a direct relaxing effect on smooth muscle. Propantheline is used to treat or prevent spasm in the muscles of the gastrointestinal tract in the irritable bowel syndrome. In addition, Propantheline inhibits gastrointestinal propulsive motility and decreases gastric acid secretion and controls excessive pharyngeal, tracheal and bronchial secretions.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000225","Name":"Propantheline Bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00783","Name":"Estradiol","DrugType":"small molecule","HalfLife":"36 hours","Description":"Generally refers to the 17-beta-isomer of estradiol, an aromatized C18 steroid with hydroxyl group at 3-beta- and 17-beta-position. Estradiol-17-beta is the most potent form of mammalian estrogenic steroids. In humans, it is produced primarily by the cyclic ovaries and the placenta. It is also produced by the adipose tissue of men and postmenopausal women. The 17-alpha-isomer of estradiol binds weakly to estrogen receptors (receptors, estrogen) and exhibits little estrogenic activity in estrogen-responsive tissues. Various isomers can be synthesized. [PubChem]","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"For the treatment of urogenital symptoms associated with post-menopausal atrophy of the vagina (such as dryness, burning, pruritus and dyspareunia) and/or the lower urinary tract (urinary urgency and dysuria).","Toxicity":"Can cause nausea and vomiting, and withdrawal bleeding may occur in females.","MechanismOfAction":"Estradiol enters target cells freely (e.g., female organs, breasts, hypothalamus, pituitary) and interacts with a target cell receptor. When the estrogen receptor has bound its ligand it can enter the nucleus of the target cell, and regulate gene transcription which leads to formation of messenger RNA. The mRNA interacts with ribosomes to produce specific proteins that express the effect of estradiol upon the target cell. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary.","Pharmacodynamics":"Estradiol, the principal intracellular human estrogen, is substantially more active than its metabolites, estrone and estriol, at the cellular level.","Absorption":"43%","Interactions":[{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00481"},{"ID":"DB00418"},{"ID":"DB00306"},{"ID":"DB00932"},{"ID":"DB01586"}],"Salts":[{"ID":"DBSALT000065","Name":"Estradiol acetate"},{"ID":"DBSALT000066","Name":"Estradiol benzoate"},{"ID":"DBSALT000067","Name":"Estradiol cypionate"},{"ID":"DBSALT000068","Name":"Estradiol valerate"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00068","Drugs":["DB00624","DB00783","DB01373","DB03435"]},{"ID":"SMP00356","Drugs":["DB00624","DB00783","DB01373","DB03435"]},{"ID":"SMP00565","Drugs":["DB00624","DB00783","DB01373","DB03435"]}]},{"ID":"DB00784","Name":"Mefenamic acid","DrugType":"small molecule","HalfLife":"2 hours","Description":"A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the treatment of rheumatoid arthritis, osteoarthritis, dysmenorrhea, and mild to moderate pain, inflammation, and fever.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 740 mg/kg. Symptoms of overdose may include severe stomach pain, coffee ground-like vomit, dark stool, ringing in the ears, change in amount of urine, unusually fast or slow heartbeat, muscle weakness, slow or shallow breathing, confusion, severe headache or loss of consciousness.","MechanismOfAction":"Mefenamic acid binds the prostaglandin synthetase receptors COX-1 and COX-2, inhibiting the action of prostaglandin synthetase. As these receptors have a role as a major mediator of inflammation and/or a role for prostanoid signaling in activity-dependent plasticity, the symptoms of pain are temporarily reduced.","Pharmacodynamics":"Mefenamic acid, an anthranilic acid derivative, is a member of the fenamate group of nonsteroidal anti-inflammatory drugs (NSAIDs). It exhibits anti-inflammatory, analgesic, and antipyretic activities. Similar to other NSAIDs, mefenamic acid inhibits prostaglandin synthetase.","Absorption":"Mefenamic acid is rapidly absorbed after oral administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB00675"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00440"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00109","Drugs":["DB00142","DB00143","DB00784","DB01373","DB01593","DB04557"]}]},{"ID":"DB00785","Name":"Cryptenamine","DrugType":"small molecule","HalfLife":"","Description":"Cryptenamine is a mixture of closely related hypotensive alkaloids from Veratrum album (Liliaceae). It has been used in the treatment of hypertension but has largely been replaced by drugs with fewer adverse effects. Cryptenamine has a marked and re-producible depressor effect when given intravenously to hypertensive patients, however the mechanism of action is not known.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of hypertension.","Toxicity":"","MechanismOfAction":"Cryptenamine has a marked and re-producible depressor effect when given intravenously to hypertensive patients, however the mechanism of action is not known. Some evidence has suggested that cryptenamine acts in a similar fashion to atropine, which lowers the \"rest and digest\" activity of all muscles and glands regulated by the parasympathetic nervous system. This occurs because atropine is a competitive inhibitor of the muscarinic acetylcholine receptors (acetylcholine is the neurotransmitter used by the parasympathetic nervous system). Therefore muscarinic acetylcholine receptors will be listed as experimental targets for cryptenamine.","Pharmacodynamics":"Cryptenamine is a mixture of closely related hypotensive alkaloids from \u003ci\u003eVeratrum album\u003c/i\u003e (Liliaceae). It has been used in the treatment of hypertension but has largely been replaced by drugs with fewer adverse effects.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00786","Name":"Marimastat","DrugType":"small molecule","HalfLife":"","Description":"Used in the treatment of cancer, Marmiastat is an angiogenesis and metastasis inhibitor. As an angiogenesis inhibitor it limits the growth and production of blood vessels. As an antimetatstatic agent it prevents malignant cells from breaching the basement membranes.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of various cancers","Toxicity":"","MechanismOfAction":"Marimastat is a broad spectrum matrix metalloprotease inhibitor. It mimics the peptide structure of natural MMP substrates and binds to matrix metalloproteases, thereby preventing the degradation of the basement membrane by these proteases. This antiprotease action prevents the migration of endothelial cells needed to form new blood vessels. Inhibition of MMPs also prevents the entry and exit of tumor cells into existing blood cells, thereby preventing metastasis.","Pharmacodynamics":"Used in the treatment of cancer, it is an angiogenesis and metastasis inhibitor. As an angiogenesis inhibitor it limits the growth and production of blood vessels. As an antimetatstatic agent it prevents malignant cells from breaching the basement membranes.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00787","Name":"Aciclovir","DrugType":"small molecule","HalfLife":"2.5-3.3 hours","Description":"A guanosine analog antiviral drug that acts as an antimetabolite. Aciclovir is used for the treatment of herpes simplex virus infections, varicella zoster (chickenpox) and herpes zoster (shingles). ","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For the treatment and management of herpes zoster (shingles), genital herpes, and chickenpox. ","Toxicity":"Aciclovir may cause nephrotoxicity (crystallization of aciclovir within renal tubules, elevation of serum creatinine, transient), and neurotoxicity (coma, hallucinations, lethargy, seizures, tremors). Nephrotoxicity and neurotoxicity usually resolve after cessation of aciclovir therapy. However, there is no well-defined relationship between aciclovir concentrations in the blood and these adverse effects.","MechanismOfAction":"Viral (HSV-1, HSV-2 and VZV) thymidine kinase converts aciclovir to the aciclovir monophosphate, which is then converted to the diphosphate by cellular guanylate kinase, and finally to the triphosphate by phosphoglycerate kinase, phosphoenolpyruvate carboxykinase, and pyruvate kinase. Aciclovir triphosphate competitively inhibits viral DNA polymerase and competes with the natural deoxyguanosine triphosphate, for incorporation into viral DNA. Once incorporated, aciclovir triphosphate inhibits DNA synthesis by acting as a chain terminator. One may consider aciclovir to be a prodrug as it is metabolized to more active compounds. Aciclovir is selective and low in cytotoxicity as the cellular thymidine kinase of normal, uninfected cells does not use aciclovir effectively as a substrate. ","Pharmacodynamics":"Aciclovir (INN) or acyclovir (USAN, former BAN) is a synthetic deoxyguanosine analog and it is the prototype antiviral agent that is activated by viral thymidine kinase. The selective activity of aciclovir is due to its affinity for the thymidine kinase enzyme encoded by HSV and VZV. EC50 value of acyclovir against clinical herpes virus isolates was 1.3 μM (range: \u003c 0.56 to 3.3 μM).","Absorption":"The oral bioavailability is 10% to 20%, and decreases with increasing dose. Food does not affect the absorption of acyclovir. The following are the pharmacokinetic parameters for 50 mg buccal tablet, Sitavig, in the saliva:\r\nAUC 0 - 24 hours = 2900±2400 mcg.h/mL;\r\nCmax = 440±241 mcg/mL;\r\nTmax = 7.95 ± 4.08 hours. ","Interactions":[{"ID":"DB01223"},{"ID":"DB00651"},{"ID":"DB01303"},{"ID":"DB00277"}],"Salts":[{"ID":"DBSALT000004","Name":"Aciclovir Sodium "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00788","Name":"Naproxen","DrugType":"small molecule","HalfLife":"The observed terminal elimination half-life is approximately 15 hours.","Description":"An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"For the treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, tendinitis, bursitis, and acute gout. Also for the relief of mild to moderate pain and the treatment of primary dysmenorrhea.","Toxicity":"ORAL (LD\u003csub\u003e50\u003c/sub\u003e): Acute: 248 mg/kg [Rat]. 360 mg/kg [Mouse]. Symptoms of overdose include drowsiness, heartburn, indigestion, nausea, and vomiting.","MechanismOfAction":"The mechanism of action of naproxen, like that of other NSAIDs, is believed to be associated with the inhibition of cyclooxygenase activity. Two unique cyclooxygenases have been described in mammals. The constitutive cyclooxygenase, COX-1, synthesizes prostaglandins necessary for normal gastrointestinal and renal function. The inducible cyclooxygenase, COX-2, generates prostaglandins involved in inflammation. Inhibition of COX-1 is thought to be associated with gastrointestinal and renal toxicity while inhibition of COX-2 provides anti-inflammatory activity.","Pharmacodynamics":"Naproxen is a member of the arylacetic acid group of nonsteroidal anti-inflammatory drugs (NSAIDs). Naproxen has analgesic and antipyretic properties. As with other NSAIDs, its mode of action is not fully understood; however, its ability to inhibit prostaglandin synthesis may be involved in the anti-inflammatory effect.","Absorption":"Naproxen itself is rapidly and completely absorbed from the GI tract with an in vivo bioavailability of 95%. Although naproxen itself is well absorbed, the sodium salt form is more rapidly absorbed resulting in higher peak plasma levels for a given dose. Food causes a slight decrease in the rate absorption.","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB06605"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB01381"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB06204"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB08814"},{"ID":"DB06684"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000949","Name":"Naproxen sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00789","Name":"Gadopentetate dimeglumine","DrugType":"small molecule","HalfLife":"Distribution half life 12 minutes, elimination half 100 minutes","Description":"A complex of gadolinium with a chelating agent, diethylenetriamine penta-acetic acid (DTPA see pentetic acid), that is given to enhance the image in cranial and spinal MRIs. (From Martindale, The Extra Pharmacopoeia, 30th ed, p706)","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For use with magnetic resonance imaging (MRI) in adults, and pediatric patients (2 years of age and older) to visualize lesions with abnormal vascularity in the brain (intracranial lesions), spine and associated tissues as well as lesions with abnormal vascularity in the head and neck. Also used to facilitate the visualization of lesions with abnormal vascularity in the body (excluding the heart).","Toxicity":"","MechanismOfAction":"Based on the behavior of protons when placed in a strong magnetic field, which is interpreted and transformed into images by magnetic resonance (MR) instruments. MR images are based primarily on proton density and proton relaxation dynamics. MR instruments are sensitive to two different relaxation processes, the T1 (spin-lattice or longitudinal relaxation time) and T2 (spin-spin or transverse relaxation time). Paramagnetic agents contain one or more unpaired electrons that enhance the T1 and T2 relaxation rates of protons in their molecular environment. The proton relaxation effect (PRE) of an unpaired electron is 700 times stronger than that of a proton itself. In MRI, visualization of normal and pathological brain tissue depends in part on variations in the radio frequency signal intensity that occur with changes in proton density, alteration of the T1, and variation in T2. When placed in a magnetic field, gadopentetate dimeglumine shortens the T1 and T2 relaxation times in tissues where it accumulates. In the central nervous system (CNS), gadopentetate dimeglumine enhances visualization of normal tissues that lack a blood-brain barrier, such as the pituitary gland and the meninges. Gadopentetate dimeglumine does not cross the intact blood-brain barrier; therefore, it does not accumulate in normal brain tissue or in CNS lesions that have not caused an abnormal blood-brain barrier (e.g., cysts, mature post-operative scars). Abnormal vascularity or disruption of the blood-brain barrier allows accumulation of gadopentetate dimeglumine in lesions such as neoplasms, abscesses, and subacute infarcts. Outside the CNS, gadopentetate dimeglumine rapidly reaches equilibrium in the interstitial compartment and enhances signal in all tissues as a function of delivery and size of the interstitial compartment.\r\nThis compound has also been found to inhibit human erythrocyte 6-phosphogluconate dehydrogenase.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00790","Name":"Perindopril","DrugType":"small molecule","HalfLife":"Perindopril, 1.2 hours; Peridoprilat, 30-120 hours. The long half life of peridoprilat is due to its slow dissociation from ACE binding sites. ","Description":"Perindopril is a nonsulfhydryl prodrug that belongs to the angiotensin-converting enzyme (ACE) inhibitor class of medications. It is rapidly metabolized in the liver to perindoprilat, its active metabolite, following oral administration. Perindoprilat is a potent, competitive inhibitor of ACE, the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Perindopril may be used to treat mild to moderate essential hypertension, mild to moderate congestive heart failure, and to reduce the cardiovascular risk of individuals with hypertension or post-myocardial infarction and stable coronary disease. ","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of mild to moderate essential hypertension, mild to moderate congestive heart failure, and to reduce the cardiovascular risk of individuals with hypertension or post-myocardial infarction and stable coronary disease. ","Toxicity":"The most likely symptom of overdose is severe hypotension. The most common adverse effects observed in controlled clinical trials include cough, digestive symptoms, fatigue, headache, and dizziness. ","MechanismOfAction":"There are two isoforms of ACE: the somatic isoform, which exists as a glycoprotein comprised of a single polypeptide chain of 1277; and the testicular isoform, which has a lower molecular mass and is thought to play a role in sperm maturation and binding of sperm to the oviduct epithelium. Somatic ACE has two functionally active domains, N and C, which arise from tandem gene duplication. Although the two domains have high sequence similarity, they play distinct physiological roles. The C-domain is predominantly involved in blood pressure regulation while the N-domain plays a role in hematopoietic stem cell differentiation and proliferation. ACE inhibitors bind to and inhibit the activity of both domains, but have much greater affinity for and inhibitory activity against the C-domain. Perindoprilat, the active metabolite of perindopril, competes with ATI for binding to ACE and inhibits and enzymatic proteolysis of ATI to ATII. Decreasing ATII levels in the body decreases blood pressure by inhibiting the pressor effects of ATII as described in the Pharmacology section above. Perindopril also causes an increase in plasma renin activity likely due to a loss of feedback inhibition mediated by ATII on the release of renin and/or stimulation of reflex mechanisms via baroreceptors. ","Pharmacodynamics":"Perindopril is a nonsulfhydryl prodrug that is metabolized via first pass effect (62%) and systemic hydrolysis (38%) to perindoprilat, its active metabolite, following oral administration. Perindoprilat lowers blood pressure by antagonizing the effect of the RAAS. The RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from the granular cells of the juxtaglomerular apparatus in the kidneys. In the blood stream, renin cleaves circulating angiotensinogen to ATI, which is subsequently cleaved to ATII by ACE. ATII increases blood pressure using a number of mechanisms. First, it stimulates the secretion of aldosterone from the adrenal cortex. Aldosterone travels to the distal convoluted tubule (DCT) and collecting tubule of nephrons where it increases sodium and water reabsorption by increasing the number of sodium channels and sodium-potassium ATPases on cell membranes. Second, ATII stimulates the secretion of vasopressin (also known as antidiuretic hormone or ADH) from the posterior pituitary gland. ADH stimulates further water reabsorption from the kidneys via insertion of aquaporin-2 channels on the apical surface of cells of the DCT and collecting tubules. Third, ATII increases blood pressure through direct arterial vasoconstriction. Stimulation of the Type 1 ATII receptor on vascular smooth muscle cells leads to a cascade of events resulting in myocyte contraction and vasoconstriction. In addition to these major effects, ATII induces the thirst response via stimulation of hypothalamic neurons. ACE inhibitors inhibit the rapid conversion of ATI to ATII and antagonize RAAS-induced increases in blood pressure. ACE (also known as kininase II) is also involved in the enzymatic deactivation of bradykinin, a vasodilator. Inhibiting the deactivation of bradykinin increases bradykinin levels and may sustain the effects of perindoprilat by causing increased vasodilation and decreased blood pressure.","Absorption":"Rapidly absorbed with peak plasma concentrations occurring approximately 1 hour after oral administration. Bioavailability is 65-75%. Following absorption, perindopril is hydrolyzed to perindoprilat, which has an average bioavailability of 20%. The rate and extent of absorption is unaffected by food. However, food decreases the extent of biotransformation to peridoprilat and reduces its bioavailability by 35%. ","Interactions":[{"ID":"DB00594"},{"ID":"DB08822"},{"ID":"DB01395"},{"ID":"DB06196"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00697"},{"ID":"DB00684"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00152","Drugs":["DB00790","DB01593"]}]},{"ID":"DB00791","Name":"Uracil mustard","DrugType":"small molecule","HalfLife":"","Description":"Nitrogen mustard derivative of uracil. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage. [PubChem]","Classification":{"Description":"This compound belongs to the nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a phosphorus atom.","DirectParent":"Nitrogen Mustard Compounds","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Tertiary Amines"},"Indication":"Used for its antineoplastic properties.","Toxicity":"","MechanismOfAction":"After activation, it binds preferentially to the guanine and cytosine moieties of DNA, leading to cross-linking of DNA, thus inhibiting DNA synthesis and function.","Pharmacodynamics":"Uracil Mustard selectively inhibits the synthesis of deoxyribonucleic acid (DNA). The guanine and cytosine content correlates with the degree of Uracil Mustard-induced cross-linking. At high concentrations of the drug, cellular RNA and protein synthesis are also suppressed.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00792","Name":"Tripelennamine","DrugType":"small molecule","HalfLife":"","Description":"A histamine H1 antagonist with low sedative action but frequent gastrointestinal irritation. It is used to treat asthma; HAY fever; urticaria; and rhinitis; and also in veterinary applications. Tripelennamine is administered by various routes, including topically. [PubChem]","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"Used for the symptomatic relief of hypersensitivity reactions, coughs, and the common cold.","Toxicity":"Symptoms of overdose include clumsiness or unsteadiness, convulsions, drowsiness, dryness of mouth, nose, or throat, feeling faint, flushing or redness of face, hallucinations, muscle spasms (especially of neck and back), restlessness, shortness of breath or troubled breathing, shuffling walk, tic-like movements of head and face, trembling and shaking of hands and trouble in sleeping.","MechanismOfAction":"Tripelennamine binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"Used to treat the effects of colds and allergies. Tripelennamine is an antihistamine. Histamine, acting on H\u003csub\u003e1\u003c/sub\u003e-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Tripelennamine is a histamine H1 antagonist. It competes with histamine for the normal H\u003csub\u003e1\u003c/sub\u003e-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.","Absorption":"Well absorbed in the digestive tract.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"}],"Salts":[{"ID":"DBSALT000689","Name":"Tripelennamine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00793","Name":"Haloprogin","DrugType":"small molecule","HalfLife":"","Description":"Haloprogin is used as a topical ointment or cream in the treatment of Tinea infections. Tinea infections are superficial fungal infections caused by three species of fungi collectively known as dermatophytes (Trichophyton, Microsporum and Epidermophyton). Commonly these infections are named for the body part affected, including tinea corporis (general skin), tinea cruris (groin), and tinea pedis (feet). Haloprogin is a halogenated phenolic ether administered topically for dermotaphytic infections. The mechanism of action is unknown, but it is thought to be via inhibition of oxygen uptake and disruption of yeast membrane structure and function. Haloprogin is no longer available in the United States and has been discontinued. ","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Used to treat fungal (Tinea) skin infections such as athlete's foot, jock itch, ringworm, and tinea versicolor.","Toxicity":"","MechanismOfAction":"Haloprogin is a halogenated phenolic ether administered topically for dermotaphytic infections. The mechanism of action is unknown, but is thought to be via inhibition of oxygen uptake and disruption of yeast membrane structure and function. There is a higher incidence of cutaneous side effects with haloprogin, including irritation, burning, vesiculation (blisters), scaling, and itching. It is generally used when the infection is unresponsive to other antifungals.","Pharmacodynamics":"Used as a topical ointment or cream in the treatment of Tinea infections. Tinea infections are superficial fungal infections caused by three species of fungi collectively known as dermatophytes (Trichophyton, Microsporum and Epidermophyton). Commonly these infections are named for the body part affected, including tinea corporis (general skin), tinea cruris (groin), and tinea pedis (feet).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00794","Name":"Primidone","DrugType":"small molecule","HalfLife":"3-23 hours","Description":"An antiepileptic agent related to the barbiturates; it is partly metabolized to phenobarbital in the body and owes some of its actions to this metabolite. Adverse effects are reported to be more frequent than with phenobarbital. (From Martindale, The Extra Pharmacopoeia, 30th ed, p309)","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the treatment of epilepsy","Toxicity":"Symptoms of an overdose typically include sluggishness, incoordination, difficulty in thinking, slowness of speech, faulty judgment, drowsiness or coma, shallow breathing, staggering, and in severe cases coma and death.","MechanismOfAction":"Primidone is a GABA receptor agonist. The mechanism of Primidone's antiepileptic action is not known.","Pharmacodynamics":"Primidone is a barbiturate with anticonvulsant properties. Primidone, either alone or used concomitantly with other anticonvulsants, is indicated in the control of grand mal, psychomotor, and focal epileptic seizures. It may control grand mal seizures refractory to other anticonvulsant therapy. Primidone raises electro- or chemoshock seizure thresholds or alters seizure patterns in experimental animals. Primidone per se has anticonvulsant activity as do its two metabolites, phenobarbital and phenylethylmalonamide (PEMA). In addition to its anticonvulsant activity, Primidone potentiates that of phenobarbital in experimental animals.","Absorption":"90 to 100%","Interactions":[{"ID":"DB01418"},{"ID":"DB01223"},{"ID":"DB01125"},{"ID":"DB06216"},{"ID":"DB06769"},{"ID":"DB00443"},{"ID":"DB00269"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB01380"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00266"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00651"},{"ID":"DB00783"},{"ID":"DB08866"},{"ID":"DB04573"},{"ID":"DB00655"},{"ID":"DB04574"},{"ID":"DB00977"},{"ID":"DB06414"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB01028"},{"ID":"DB00959"},{"ID":"DB00264"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB01384"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00571"},{"ID":"DB04575"},{"ID":"DB00908"},{"ID":"DB01656"},{"ID":"DB06201"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00277"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00620"},{"ID":"DB00427"},{"ID":"DB05294"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00795","Name":"Sulfasalazine","DrugType":"small molecule","HalfLife":"5-10 hours","Description":"A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see mesalamine) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907)","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of Crohn's disease and rheumatoid arthritis as a second-line agent.","Toxicity":"","MechanismOfAction":"The mode of action of Sulfasalazine or its metabolites, 5-aminosalicylic acid (5-ASA) and sulfapyridine (SP), is still under investigation, but may be related to the anti-inflammatory and/or immunomodulatory properties that have been observed in animal and \u003ci\u003ein vitro\u003c/i\u003e models, to its affinity for connective tissue, and/or to the relatively high concentration it reaches in serous fluids, the liver and intestinal walls, as demonstrated in autoradiographic studies in animals. In ulcerative colitis, clinical studies utilizing rectal administration of Sulfasalazine, SP and 5-ASA have indicated that the major therapeutic action may reside in the 5-ASA moiety. The relative contribution of the parent drug and the major metabolites in rheumatoid arthritis is unknown.","Pharmacodynamics":"Sulfasalazine is an anti-inflammatory indicated for the treatment of ulcerative colitis and rheumatoid arthritis.","Absorption":"","Interactions":[{"ID":"DB00993"},{"ID":"DB08822"},{"ID":"DB00672"},{"ID":"DB00091"},{"ID":"DB00390"},{"ID":"DB01033"},{"ID":"DB00352"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00796","Name":"Candesartan","DrugType":"small molecule","HalfLife":"Approximately 9 hours.","Description":"Candesartan is an angiotensin-receptor blocker (ARB) that may be used alone or with other agents to treat hypertension. It is administered orally as the prodrug, candesartan cilexetil, which is rapidly converted to its active metabolite, candesartan, during absorption in the gastrointestinal tract. Candesartan lowers blood pressure by antagonizing the renin-angiotensin-aldosterone system (RAAS); it competes with angiotensin II for binding to the type-1 angiotensin II receptor (AT1) subtype and prevents the blood pressure increasing effects of angiotensin II. Unlike angiotensin-converting enzyme (ACE) inhibitors, ARBs do not have the adverse effect of dry cough. Candesartan may be used to treat hypertension, isolated systolic hypertension, left ventricular hypertrophy and diabetic nephropathy. It may also be used as an alternative agent for the treatment of heart failure, systolic dysfunction, myocardial infarction and coronary artery disease. ","Classification":{"Description":"This compound belongs to the biphenyltetrazoles and derivatives. These are organic compounds containing a biphenyl attached to a tetrazole. A carbon atom of the biphenyl moiety is boned to a carbon or the nitrogen atom of the tetrazole moiety.","DirectParent":"Biphenyltetrazoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Candesartan may be also used as a second line agent in the treatment of congestive heart failure, systolic dysfunction, myocardial infarction and coronary artery disease in those intolerant of ACE inhibitors.","Toxicity":"No lethality was observed in acute toxicity studies in mice, rats and dogs given single oral doses of up to 2000 mg/kg of candesartan cilexetil or in rats given single oral doses of up to 2000 mg/kg of candesartan cilexetil in combination with 1000 mg/kg of hydrochlorothiazide. In mice given single oral doses of the primary metabolite, candesartan, the minimum lethal dose was greater than 1000 mg/kg but less than 2000 mg/kg.","MechanismOfAction":"Candesartan selectively blocks the binding of angiotensin II to AT1 in many tissues including vascular smooth muscle and the adrenal glands. This inhibits the AT1-mediated vasoconstrictive and aldosterone-secreting effects of angiotensin II and results in an overall decrease in blood pressure. Candesartan is greater than 10,000 times more selective for AT1 than AT2. Inhibition of aldosterone secretion may increase sodium and water excretion while decreasing potassium excretion.","Pharmacodynamics":"Candesartan cilexetil is an ARB prodrug that is rapidly converted to candesartan, its active metabolite, during absorption from the gastrointestinal tract. Candesartan confers blood pressure lowering effects by antagonizing the hypertensive effects of angiotensin II via the RAAS. RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from granular cells of the juxtaglomerular apparatus in the kidneys. Renin cleaves circulating angiotensinogen to angiotensin I, which is cleaved by angiotensin converting enzyme (ACE) to angiotensin II. Angiotensin II increases blood pressure by increasing total peripheral resistance, increasing sodium and water reabsorption in the kidneys via aldosterone secretion, and altering cardiovascular structure. Angiotensin II binds to two receptors: type-1 angiotensin II receptor (AT1) and type-2 angiotensin II receptor (AT2). AT1 is a G-protein coupled receptor (GPCR) that mediates the vasoconstrictive and aldosterone-secreting effects of angiotensin II. Studies performed in recent years suggest that AT2 antagonizes AT1-mediated effects and directly affects long-term blood pressure control by inducing vasorelaxation and increasing urinary sodium excretion. Angiotensin receptor blockers (ARBs) are non-peptide competitive inhibitors of AT1. ARBs block the ability of angiotensin II to stimulate pressor and cell proliferative effects. Unlike ACE inhibitors, ARBs do not affect bradykinin-induced vasodilation. The overall effect of ARBs is a decrease in blood pressure.","Absorption":"Following administration of the candesartan cilexetil prodrug, the absolute bioavailability of candesartan was estimated to be 15%. Food with a high fat content has no affect on the bioavailability of candesartan from candesartan cilexetil.","Interactions":[{"ID":"DB00594"},{"ID":"DB01395"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00684"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00158","Drugs":["DB00796","DB01593"]}]},{"ID":"DB00797","Name":"Tolazoline","DrugType":"small molecule","HalfLife":"","Description":"A vasodilator that apparently has direct actions on blood vessels and also increases cardiac output. Tolazoline can interact to some degree with histamine, adrenergic, and cholinergic receptors, but the mechanisms of its therapeutic effects are not clear. It is used in treatment of persistent pulmonary hypertension of the newborn. [PubChem]","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the treatment of pulmonary artery anomalies","Toxicity":"","MechanismOfAction":"Vasodilation by means of a direct effect on peripheral vascular smooth muscle and indirect effects produced, in part, by release of endogenous histamine; tolazoline has moderate alpha-adrenergic blocking activity and has histamine agonist activity. Tolazoline usually reduces pulmonary arterial pressure and vascular resistance.","Pharmacodynamics":"Tolazoline is a pulmonary vasodilator indicated used to decrease pulmonary vascular resistance (PVR) in persistent pulmonary hypertension of the newborn (PPHN).","Absorption":"","Interactions":[{"ID":"DB00501"},{"ID":"DB00863"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000947","Name":"Benzazoline hydrochloride"},{"ID":"DBSALT000948","Name":"Tolazoline Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00798","Name":"Gentamicin","DrugType":"small molecule","HalfLife":"3-3\u0026frac12; hours in infants one week to six months of age; this increases to 5\u0026frac12; hours in full-term and large premature infants less than one week old.","Description":"A complex of three different closely related aminoglycoside sulfates, Gentamicins C1, C2, and C1a, obtained from Micromonospora purpurea and related species. They are broad-spectrum antibiotics, but may cause ear and kidney damage. They act to inhibit protein synthesis (genetic translation). [PubChem]","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For treatment of serious infections caused by susceptible strains of the following microorganisms: \u003ci\u003eP. aeruginosa\u003c/i\u003e, \u003ci\u003eProteus\u003c/i\u003e species (indole-positive and indole-negative), \u003ci\u003eE. coli\u003c/i\u003e, \u003ci\u003eKlebsiella-Enterobactor-Serratia\u003c/i\u003e species, \u003ci\u003eCitrobacter\u003c/i\u003e species and \u003ci\u003eStaphylococcus\u003c/i\u003e species (coagulase-positive and coagulase-negative).","Toxicity":"Mild and reversible nephrotoxicity may be observed in 5 - 25% of patients. Gentamicin accumulates in proximal renal tubular cells and causes cell damage. Tubular cell regeneration occurs despite continued drug exposure. Toxicity usually occurs several days following initiation of therapy. May cause irreversible ototoxicity. Otoxocity appears to be correlated to cumulative lifetime exposure. Drug accumulation in the endolymph and perilymph of the inner ear causes irreversible damage to hair cells of the cochlea or summit of ampullar cristae in the vestibular complex. High frequency hearing is lost first with progression leading to loss of low frequency hearing. Further toxicity may lead to retrograde degeneration of the 8th cranial (vestibulocochlear) nerve. Vestibular toxicity may cause vertigo, nausea, vomiting, dizziness and loss of balance.\r\nMouse, intravenous LD50: 52 mg/kg; rat, intravenous LD50: 96 mg/kg.","MechanismOfAction":"Aminoglycosides like gentamicin \"irreversibly\" bind to specific 30S-subunit proteins and 16S rRNA. Specifically gentamicin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to interference with the initiation complex, misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes.","Pharmacodynamics":"Gentamicin is a broad spectrum aminoglycoside antibiotic. Aminoglycosides work by binding to the bacterial 30S ribosomal subunit, causing misreading of t-RNA, leaving the bacterium unable to synthesize proteins vital to its growth. Aminoglycosides are useful primarily in infections involving aerobic, Gram-negative bacteria, such as Pseudomonas, Acinetobacter, and Enterobacter. In addition, some mycobacteria, including the bacteria that cause tuberculosis, are susceptible to aminoglycosides. Infections caused by Gram-positive bacteria can also be treated with aminoglycosides, but other types of antibiotics are more potent and less damaging to the host. In the past the aminoglycosides have been used in conjunction with penicillin-related antibiotics in streptococcal infections for their synergistic effects, particularly in endocarditis. Aminoglycosides are mostly ineffective against anaerobic bacteria, fungi and viruses.","Absorption":"Injections lead to peak serum concentrations in 30-60 minutes. Topical gentamicin is readily absorbed from large burned, denuded, or granulating areas but not through intact skin. Absorption of gentamicin is faster and greater with the cream compared to the ointment. Gentamicin is absorbed in small quantities following topical application to the eye. Gentamicin is also absorbed in small amounts following topical application to the ear (especially if the eardrum is perforated or if tissue damage is present). Gentamicin is very poorly absorbed orally. ","Interactions":[{"ID":"DB00732"},{"ID":"DB00887"},{"ID":"DB01326"},{"ID":"DB01139"},{"ID":"DB01327"},{"ID":"DB01328"},{"ID":"DB01329"},{"ID":"DB00923"},{"ID":"DB00493"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB01333"},{"ID":"DB00438"},{"ID":"DB01332"},{"ID":"DB01212"},{"ID":"DB01112"},{"ID":"DB03450"},{"ID":"DB00515"},{"ID":"DB01111"},{"ID":"DB01135"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB01336"},{"ID":"DB01226"},{"ID":"DB01337"},{"ID":"DB01338"},{"ID":"DB00728"},{"ID":"DB00202"},{"ID":"DB00864"},{"ID":"DB01041"},{"ID":"DB01607"},{"ID":"DB00214"},{"ID":"DB01199"},{"ID":"DB01339"}],"Salts":[{"ID":"DBSALT000690","Name":"Gentamicin Sulfate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]}]},{"ID":"DB00799","Name":"Tazarotene","DrugType":"small molecule","HalfLife":"The half-life of the active form of the drug, tazarotenic acid, is approximately 18 hours in normal and psoriatic patients.","Description":"Tazarotene (marketed as Tazorac®, Avage® and Zorac®) is a prescription topical retinoid sold as a cream or gel. This medication is approved for treatment of psoriasis, acne, and sun damaged skin (photodamage). [Wikipedia]","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"Used to treat psoriasis, acne and sun damaged skin (photodamage).","Toxicity":"Excessive topical use may lead to marked redness, peeling, or discomfort. Oral ingestion of the drug may affect liver function causing hypertriglyceridemia. Other symptoms may include conjunctival irritation, hair loss, headache, edema, fatigue, dermatitis, nausea, and visual disturbances. Oral administration of this material to rats and rabbits at doses of 0.20 mg/kg/day (rabbits) and 0.25 mg/kg/day (rats) resulted in developmental toxicity. A no effect level of 0.05 mg/kg/day was established. Similar teratogenic effects have been reported for other retinoid compounds.","MechanismOfAction":"Although the exact mechanism of tazarotene action is not known, studies have shown that the active form of the drug (tazarotenic acid) binds to all three members of the retinoic acid receptor (RAR) family: RARa, RARb, and RARg, but shows relative selectivity for RARb, and RARg and may modify gene expression. It also has affinity for RXR receptors.","Pharmacodynamics":"Tazarotene is a prodrug and a member of the acetylenic class of retinoids. Following topical application, tazarotene undergoes esterase hydrolysis to form its active metabolite, tazarotenic acid. When treating acne tazarotene may be taken in conjunction with an oral antibiotic. Tazarotene has been shown in peer-reviewed double blinded studies to reduce: mottling and hyperpigmentation, sallowness, fine wrinkling and coarse wrinkling in sun damaged skin. Histological studies have shown that long term (greater than 1 year) use of Tazarotene is associated with a significant reduction in atypical melanocytes and keratocytes - cells considered to be precursors of skin cancer. Some studies have shown long term use of Tazarotene to be associated with increased collagen production and better organization of skin collagen bundles.","Absorption":"Minimal systemic absorption of tazarotene occurs due to its rapid metabolism in the skin to the active metabolite, tazarotenic acid, which can be systemically absorbed and further metabolized. Gender had no influence on the systemic bioavailability of tazarotenic acid.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00800","Name":"Fenoldopam","DrugType":"small molecule","HalfLife":"The elimination half-life is about 5 minutes in mild to moderate hypertensives, with little difference between the R (active) and S isomers.","Description":"A dopamine D1 receptor agonist that is used as an antihypertensive agent. It lowers blood pressure through arteriolar vasodilation. [PubChem]","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"For the in-hospital, short-term (up to 48 hours) management of severe hypertension when rapid, but quickly reversible, emergency reduction of blood pressure is clinically indicated, including malignant hypertension with deteriorating end-organ function.","Toxicity":"The most likely reaction of overdose would be excessive hypotension which should be treated with drug discontinuation and appropriate supportive measures.","MechanismOfAction":"Fenoldopam is a rapid-acting vasodilator. It is an agonist for D\u003csub\u003e1\u003c/sub\u003e-like dopamine receptors and binds with moderate affinity to \u0026alpha;\u003csub\u003e2\u003c/sub\u003e-adrenoceptors. It has no significant affinity for D\u003csub\u003e2\u003c/sub\u003e-like receptors, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e and \u0026beta;-adrenoceptors, 5\u003csub\u003eHT1\u003c/sub\u003e and 5\u003csub\u003eHT2\u003c/sub\u003e receptors, or muscarinic receptors. Fenoldopam is a racemic mixture with the R-isomer responsible for the biological activity. The R-isomer has approximately 250-fold higher affinity for D\u003csub\u003e1\u003c/sub\u003e-like receptors than does the S-isomer. In non-clinical studies, fenoldopam had no agonist effect on presynaptic D\u003csub\u003e2\u003c/sub\u003e-like dopamine receptors, or \u0026alpha; or \u0026beta; -adrenoceptors, nor did it affect angiotensin-converting enzyme activity. Fenoldopam may increase norepinephrine plasma concentration.","Pharmacodynamics":"Fenoldopam is an agonist at D\u003csub\u003e1\u003c/sub\u003e-like dopamine receptors, binds to \u0026alpha;\u003csub\u003e2\u003c/sub\u003e-adrenoceptors, increasing renal blood flow.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000946","Name":"Fenoldopam Mesilate"},{"ID":"DBSALT000945","Name":"Fenoldopam Mesylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00801","Name":"Halazepam","DrugType":"small molecule","HalfLife":"","Description":"Halazepam is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a trifluoromethyl derivative of nordazepam. While its structure may be similar to chlordiazepoxide and diazepam, it has both less toxicity and less tendency to cause paradoxical hostility and aggression than either of them. Halazepam is no longer marketed in the United States, and was withdrawn by Schering-Plough due to poor sales. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Used to relieve anxiety, nervousness, and tension associated with anxiety disorders.","Toxicity":"","MechanismOfAction":"Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00501"},{"ID":"DB00363"},{"ID":"DB00196"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00220"},{"ID":"DB00338"}],"Salts":null,"Groups":{"approved":true,"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB00802","Name":"Alfentanil","DrugType":"small molecule","HalfLife":"90-111 minutes","Description":"A short-acting opioid anesthetic and analgesic derivative of fentanyl. It produces an early peak analgesic effect and fast recovery of consciousness. Alfentanil is effective as an anesthetic during surgery, for supplementation of analgesia during surgical procedures, and as an analgesic for critically ill patients. [PubChem]","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For the management of postoperative pain and the maintenance of general anesthesia.","Toxicity":"Symptoms of overexposure include characteristic rigidity of the skeletal muscles, cardiac and respiratory depression, and narrowing of the pupils.","MechanismOfAction":"Opiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Alfentanil's analgesic activity is, most likely, due to its conversion to morphine. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Alfentanil is a synthetic opioid analgesic. Alfentanil interacts predominately with the opioid mu-receptor. These mu-binding sites are discretely distributed in the human brain, spinal cord, and other tissues. In clinical settings, alfentanil exerts its principal pharmacologic effects on the central nervous system. Its primary actions of therapeutic value are analgesia and sedation. Alfentanil may increase the patient's tolerance for pain and decrease the perception of suffering, although the presence of the pain itself may still be recognized. In addition to analgesia, alterations in mood, euphoria and dysphoria, and drowsiness commonly occur. Alfentanil depresses the respiratory centers, depresses the cough reflex, and constricts the pupils.","Absorption":"For intravenous injection or infusion only. ","Interactions":[{"ID":"DB06274"},{"ID":"DB00501"},{"ID":"DB00199"},{"ID":"DB00196"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01045"},{"ID":"DB00976"},{"ID":"DB00752"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00413","Drugs":["DB00368","DB00802","DB00988","DB01345","DB01373"]}]},{"ID":"DB00803","Name":"Colistin","DrugType":"small molecule","HalfLife":"5 hours","Description":"Cyclic polypeptide antibiotic from Bacillus colistinus. It is composed of Polymyxins E1 and E2 (or Colistins A, B, and C) which act as detergents on cell membranes. Colistin is less toxic than Polymyxin B, but otherwise similar; the methanesulfonate is used orally. [PubChem]","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of acute or chronic infections due to sensitive strains of certain gram-negative bacilli, particularly \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is 5450 mg/kg. Overdosage with colistimethate can cause neuromuscular blockade characterized by paresthesia, lethargy, confusion, dizziness, ataxia, nystagmus, disorders of speech and apnea. Respiratory muscle paralysis may lead to apnea, respiratory arrest and death.","MechanismOfAction":"Colistin is a surface active agent which penetrates into and disrupts the bacterial cell membrane. Colistin is polycationic and has both hydrophobic and lipophilic moieties. It interacts with the bacterial cytoplasmic membrane, changing its permeability. This effect is bactericidal. There is also evidence that polymyxins enter the cell and precipitate cytoplasmic components, primarily ribosomes.","Pharmacodynamics":"Colistin is a polymyxin antibiotic agent. Polymyxins are cationic polypeptides that disrupt the bacterial cell membrane through a detergentlike mechanism. With the development of less toxic agents, such as extended-spectrum penicillins and cephalosporins, parenteral polymyxin use was largely abandoned, except for the treatment of multidrug-resistant pulmonary infections in patients with cystic fibrosis. More recently, however, the emergence of multidrug-resistant gram-negative bacteria, such as \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e and \u003ci\u003eAcinetobacter baumannii\u003c/i\u003e, and the lack of new antimicrobial agents have led to the revived use of the polymyxins.","Absorption":"Very poor absorption from gastrointestinal tract.","Interactions":null,"Salts":[{"ID":"DBSALT000944","Name":"Colistin Sodium Methansulfonate"},{"ID":"DBSALT000691","Name":"Colistin sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00804","Name":"Dicyclomine","DrugType":"small molecule","HalfLife":"","Description":"A muscarinic antagonist used as an antispasmodic and in urinary incontinence. It has little effect on glandular secretion or the cardiovascular system. It does have some local anesthetic properties and is used in gastrointestinal, biliary, and urinary tract spasms. [PubChem]","Classification":{"Description":"This compound belongs to the carboxylic acid esters. These are carboxylic acid derivatives in which the carbo atom from the carbonyl group is atached to an alkyl or oaryl moiety through an oxygen atom (forming an ester group).","DirectParent":"Carboxylic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"For the treatment of functional bowel/irritable bowel syndrome\r\nincluding Colicky abdominal pain; diverticulitis","Toxicity":"","MechanismOfAction":"Action is achieved via a dual mechanism: (1) a specific anticholinergic effect (antimuscarinic) at the acetylcholine-receptor sites and (2) a direct effect upon smooth muscle (musculotropic).","Pharmacodynamics":"Dicyclomine is an anticholinergic drug, a medication that reduces the effect of acetylcholine, a chemical released from nerves that stimulates muscles, by blocking the receptors for acetylcholine on smooth muscle (a type of muscle). It also has a direct relaxing effect on smooth muscle. Dicyclomine is used to treat or prevent spasm in the muscles of the gastrointestinal tract in the irritable bowel syndrome. In addition, Dicyclomine inhibits gastrointestinal propulsive motility and decreases gastric acid secretion and controls excessive pharyngeal, tracheal and bronchial secretions.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000698","Name":"Dicyclomine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00805","Name":"Minaprine","DrugType":"small molecule","HalfLife":"","Description":"Minaprine is a psychotropic drug which has proved to be effective in the treatment of various depressive states. Like most antidepressants minaprine antagonizes behavioral despair. Minaprine is an amino-phenylpyridazine antidepressant reported to be relatively free of cardiotoxicity, drowsiness, and weight gain. ","Classification":{"Description":"This compound belongs to the aminopyridazines. These are organic compounds containing an amino group attached to a pyridazine ring.","DirectParent":"Aminopyridazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyridazines and Derivatives"},"Indication":"For the treatment of depression","Toxicity":"","MechanismOfAction":"Minaprine binds to serotonin type 2 receptors and to dopamine D1 and D2 type receptors. It also binds to the serotonin reuptake pump. Therefore, minaprine blocks the reuptake of both dopamine and serotonin. It is also, to a slight degree, cholinomimetic. Thus it may exhibit both mood-brightening and nootropic properties. It also acts as a reversible inhibitor of MAO-A (RIMA).It has also been found to inhibit acetylcholinesterase.","Pharmacodynamics":"Minaprine is an amino-phenylpyridazine antidepressant reported to be relatively free of cardiotoxicity, drowsiness, and weight gain. Similar to other antidepressant treatments, minaprine attenuates the beta-adrenergic receptor function. Studies have also shown that minaprine improves memory consolidation and that repeated drug administration leads to potentiation of this effect. Moreover, the effects of minaprine on memory consolidation are related to its dopaminergic action.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000305","Name":"Minaprine Dihydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00806","Name":"Pentoxifylline","DrugType":"small molecule","HalfLife":"0.4-0.8 hours","Description":"A methylxanthine derivative that inhibits phosphodiesterase and affects blood rheology. It improves blood flow by increasing erythrocyte and leukocyte flexibility. It also inhibits platelet aggregation. Pentoxifylline modulates immunologic activity by stimulating cytokine production. [PubChem]","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For the treatment of patients with intermittent lameness or immobility arising from chronic occlusive arterial disease of the limbs.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1385 mg/kg(orally in mice)","MechanismOfAction":"Pentoxifylline inhibits erythrocyte phosphodiesterase, resulting in an increase in erythrocyte cAMP activity. Subsequently, the erythrocyte membrane becomes more resistant to deformity. Along with erythrocyte activity, pentoxifylline also decreases blood viscosity by reducing plasma fibrinogen concentrations and increasing fibrinolytic activity. It is also a non selective adenosine receptor antagonist.","Pharmacodynamics":"Pentoxifylline, a synthetic dimethylxanthine derivative structurally related to theophylline and caffeine, is used in the treatment of peripheral vascular diseases and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB09026"},{"ID":"DB01223"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00651"},{"ID":"DB00063"},{"ID":"DB00046"},{"ID":"DB01303"},{"ID":"DB00277"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00807","Name":"Proparacaine","DrugType":"small molecule","HalfLife":"","Description":"Proparacaine is a topical anesthetic drug of the amino ester group. It is available as its hydrochloride salt in ophthalmic solutions at a concentration of 0.5%. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Used as a local (ophthalmic) anesthetic.","Toxicity":"","MechanismOfAction":"The exact mechanism whereby proparacaine and other local anesthetics influence the permeability of the cell membrane is unknown; however, several studies indicate that local anesthetics may limit sodium ion permeability through the lipid layer of the nerve cell membrane. Proparacaine may alter epithelial sodium channels through interaction with channel protein residues. This limitation prevents the fundamental change necessary for the generation of the action potential.","Pharmacodynamics":"Proparacaine stabilizes the neuronal membrane by inhibiting the ionic fluxes required for the initiation and conduction of impulses thereby effecting local anesthetic action. More specifically, proparacaine appears to bind or antagonize the function of voltage gated sodium channels.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000459","Name":"Proparacaine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00403","Drugs":["DB00368","DB00807","DB00988","DB01345","DB01373"]}]},{"ID":"DB00808","Name":"Indapamide","DrugType":"small molecule","HalfLife":"14 hours (biphasic)","Description":"A benzamide-sulfonamide-indole. It is called a thiazide-like diuretic but structure is different enough (lacking the thiazo-ring) so it is not clear that the mechanism is comparable. [PubChem]","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of hypertension, alone or in combination with other antihypertensive drugs, as well as for the treatment of salt and fluid retention associated with congestive heart failure or edema from pregnancy (appropriate only in the management of edema of pathologic origin during pregnancy when clearly needed). Also used for the management of edema as a result of various causes.","Toxicity":"Side effects include electrolyte imbalance (potassium or salt depletion due to too much fluid loss), nausea, stomach disorders, vomiting, weakness","MechanismOfAction":"Indapamide blocks the slow component of delayed rectifier potassium current (IKs) without altering the rapid component (IKr) or the inward rectifier current. Specifically it blocks or antagonizes the action the proteins KCNQ1 and KCNE1. Indapamide is also thought to stimulate the synthesis of the vasodilatory hypotensive prostaglandin PGE2.","Pharmacodynamics":"Indapamide is an antihypertensive and a diuretic. It contains both a polar sulfamoyl chlorobenzamide moiety and a lipid- soluble methylindoline moiety. Indapamide bears a structural similarity to the triazide diuretics which are known to decrease vascular smooth muscle reactivity. However, it differs chemically from the thiazides in that it does not possess the thiazide ring system and contains only one sulfonamide group. Indapamide appears to cause vasodilation, probably by inhibiting the passage of calcium and other ions (sodium, potassium) across membranes. This same effect may cause hypokalcemia in susceptible individuals. Indapamide has also been shown to cause uterine myometrial relaxation in experimental animals. Overall, indapamide has an extra-renal antihypertensive action resulting in a decrease in vascular hyperreactivity and a reduction in total peripheral and arteriolar resistance.","Absorption":"Rapidly absorbed from gastrointestinal tract.","Interactions":[{"ID":"DB06697"},{"ID":"DB01078"},{"ID":"DB01119"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00204"},{"ID":"DB01356"},{"ID":"DB06708"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00110","Drugs":["DB00151","DB00808","DB01345","DB03904"]}]},{"ID":"DB00809","Name":"Tropicamide","DrugType":"small molecule","HalfLife":"","Description":"One of the muscarinic antagonists with pharmacologic action similar to atropine and used mainly as an ophthalmic parasympatholytic or mydriatic. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Indicated to induce mydriasis (dilation of the pupil) and cycloplegia (paralysis of the ciliary muscle of the eye) in diagnostic procedures, such as measurement of refractive errors and examination of the fundus of the eye.","Toxicity":"Overdose can casue dry mouth, blurred vision, photophobia, hallucinations and rapid/irregular pulse.","MechanismOfAction":"Tropicamide binds to and blocks the receptors in the muscles of the eye (muscarinic receptor M4). Tropicamide acts by blocking the responses of the iris sphincter muscle to the iris and ciliary muscles to cholinergic stimulation, producing dilation of the pupil and paralysis of the ciliary muscle.","Pharmacodynamics":"Tropicamide belongs to the group of medicines called anti-muscarinics. Tropicamide blocks the receptors in the muscles of the eye (muscarinic receptors). These receptors are involved controlling the pupil size and the shape of the lens. By blocking these receptors, tropicamide produces dilatation of the pupil (mydriasis) and prevents the eye from accommodating for near vision (cycloplegia). Tropicamide is given as eye drops to dilate the pupil and relax the lens so that eye examinations can be carried out thoroughly.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00810","Name":"Biperiden","DrugType":"small molecule","HalfLife":"","Description":"A muscarinic antagonist that has effects in both the central and peripheral nervous systems. It has been used in the treatment of arteriosclerotic, idiopathic, and postencephalitic parkinsonism. It has also been used to alleviate extrapyramidal symptoms induced by phenothiazine derivatives and reserpine. [PubChem]","Classification":{"Description":"This compound belongs to the bicyclic monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.","DirectParent":"Bicyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"For use as an adjunct in the therapy of all forms of parkinsonism and control of extrapyramidal disorders secondary to neuroleptic drug therapy.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=760 mg/kg (Orally in rats). Signs of overdose include dilated and sluggish pupils, warm, dry skin, facial flushing, decreased secretions of the mouth, pharynx, nose, and bronchi, foul-smelling breath, elevated temperature, tachycardia, cardiac arrhythmias, decreased bowel sounds, urinary retention, delirium, disorientation, anxiety, hallucinations, illusions, confusion, incoherence, agitation, hyperactivity, ataxia, loss of memory, paranoia, combativeness, and seizures.","MechanismOfAction":"Parkinsonism is thought to result from an imbalance between the excitatory (cholinergic) and inhibitory (dopaminergic) systems in the corpus striatum. The mechanism of action of centrally active anticholinergic drugs such as biperiden is considered to relate to competitive antagonism of acetylcholine at cholinergic receptors in the corpus striatum, which then restores the balance.","Pharmacodynamics":"Biperiden is a weak peripheral anticholinergic agent. It has, therefore, some antisecretory, antispasmodic and mydriatic effects. In addition, biperiden possesses nicotinolytic activity. The parenteral form of biperiden is an effective and reliable agent for the treatment of acute episodes of extrapyramidal disturbances sometimes seen during treatment with neuroleptic agents. Akathisia, akinesia, dyskinetic tremors, rigor, oculogyric crisis, spasmodic torticollis, and profuse sweating are markedly reduced or eliminated. With parenteral biperiden, these drug-induced disturbances are rapidly brought under control.","Absorption":"87% bioavailability","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000804","Name":"Biperiden Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00811","Name":"Ribavirin","DrugType":"small molecule","HalfLife":"9.5 hours","Description":"A nucleoside antimetabolite antiviral agent that blocks nucleic acid synthesis and is used against both RNA and DNA viruses. [PubChem]","Classification":{"Description":"This compound belongs to the triazole ribonucleosides and ribonucleotides. These are nucleoside derivatives containing a ribose derivative which is n-glycosylated to a triazole.","DirectParent":"Triazole Ribonucleosides and Ribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of chronic hepatitis C and for respiratory syncytial virus (RSV).","Toxicity":"Side effects include \"flu-like\" symptoms, such as headache, fatigue, myalgia, and fever. The LD\u003csub\u003e50\u003c/sub\u003e in mice is 2 g/kg orally and is associated with hypoactivity and gastrointestinal symptoms (estimated human equivalent dose of 0.17 g/kg, based on body surface area conversion).","MechanismOfAction":"Ribavirin is readily phosphorylated intracellularly by adenosine kinase to ribavirin mono-, di-, and triphosphate metabolites. Ribavirin triphosphate (RTP) is a potent competitive inhibitor of inosine monophosphate (IMP) dehydrogenase, viral RNA polymerase and messenger RNA (mRNA) guanylyltransferase (viral) and can be incorporated into RNA in RNA viral species.. Guanylyltranserase inhibition stops the capping of mRNA. These diverse effects result in a marked reduction of intracellular guanosine triphosphate (GTP) pools and inhibition of viral RNA and protein synthesis. Ribavirin is also incorporated into the viral genome causing lethal mutagenesis and a subsequent decrease in specific viral infectivity.","Pharmacodynamics":"Ribavirin is an anti-viral drug active against a number of DNA and RNA viruses. It is a member of the nucleoside antimetabolite drugs that interfere with duplication of the viral genetic material. The drug inhibits the activity of the enzyme RNA dependent RNA polymerase, due to it's resemblence to building blocks of the RNA molecules. The oral form is used in the treatment of hepatitis C, in combination with interferon drugs. The aerosol form is used to treat respiratory syncytial virus-related diseases in children. The primary serious adverse effect of ribavirin is hemolytic anemia, which may worsen preexisting cardiac disease.","Absorption":"Rapidly and extensively absorbed following oral administration. However, due to first-pass metabolism, the absolute bioavailability averages 64%.","Interactions":[{"ID":"DB01048"},{"ID":"DB00943"},{"ID":"DB00495"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00812","Name":"Phenylbutazone","DrugType":"small molecule","HalfLife":"","Description":"A drug that has anti-inflammatory, antipyretic, and analgesic activities. It is especially effective in the treatment of ankylosing spondylitis. It also is useful in rheumatoid arthritis and Reiter\u0026#39;s syndrome (investigational indication). Although phenylbutazone is effective in gouty arthritis, risk/benefit considerations indicate that this drug should not be employed for this disease. (From AMA Drug Evaluations Annual, 1994, p1822)","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the treatment of backache and ankylosing spondylitis","Toxicity":"Oral, LD\u003csub\u003e50\u003c/sub\u003e = 238 mg/kg (mouse); Oral, LD\u003csub\u003e50\u003c/sub\u003e = 781 mg/kg (rabbit); Oral, LD\u003csub\u003e50\u003c/sub\u003e = 245 mg/kg (rat); Oral, LD\u003csub\u003e50\u003c/sub\u003e = 375 mg/kg (rat)","MechanismOfAction":"Phenylbutazone binds to and inactivates prostaglandin H synthase and prostacyclin synthase through peroxide (H2O2) mediated deactivation. The reduced production of prostaglandin leads to reduced inflammation of the surrounding tissues.","Pharmacodynamics":"Phenylbutazone is a synthetic, pyrazolone derivative. It is a nonhormonal anti-inflammatory, antipyretic compound useful in the management of inflammatory conditions. The apparent analgesic effect is probably related mainly to the compound's anti-inflammatory properties and arise from its ability to reduce production of prostaglandin H and prostacyclin. Prostaglandins act on a variety of cells such as vascular smooth muscle cells causing constriction or dilation, on platelets causing aggregation or disaggregation and on spinal neurons causing pain. Prostacylcin causes vascular constriction platelet disaggregation","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB00414"},{"ID":"DB01125"},{"ID":"DB00672"},{"ID":"DB00266"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01356"},{"ID":"DB00532"},{"ID":"DB00563"},{"ID":"DB00252"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00701","Drugs":["DB00142","DB00143","DB00812","DB01373","DB01593","DB04557"]}]},{"ID":"DB00813","Name":"Fentanyl","DrugType":"small molecule","HalfLife":"7 hours (range 3-12)","Description":"A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078)","Classification":{"Description":"This compound belongs to the fentanyls. These are compounds containing the fentanyl moiety or a derivative, which is based on a N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide skeleton.","DirectParent":"Fentanyls","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Fentanyls"},"Indication":"For the treatment of cancer patients with severe pain that breaks through their regular narcotic therapy.","Toxicity":"Fentanyl has an LD50 of 3.1 milligrams per kilogram in rats, and, 0.03 milligrams per kilogram in monkeys. The LD50 in humans is not known.","MechanismOfAction":"Opiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Fentanyl's analgesic activity is, most likely, due to its conversion to morphine. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hypopolarization and reduced neuronal excitability.","Pharmacodynamics":"Fentanyl is an opioid analgesic. Fentanyl interacts predominately with the opioid mu-receptor but also binds to kappa and delta-type opioid receptors. These mu-binding sites are discretely distributed in the human brain, spinal cord, and other tissues. In clinical settings, Fentanyl exerts its principal pharmacologic effects on the central nervous system. Its primary actions of therapeutic value are analgesia and sedation. Fentanyl may increase the patient's tolerance for pain and decrease the perception of suffering, although the presence of the pain itself may still be recognized. In addition to analgesia, alterations in mood, euphoria and dysphoria, and drowsiness commonly occur. Fentanyl depresses the respiratory centers, depresses the cough reflex, and constricts the pupils.","Absorption":"Bioavailability is 92% following transdermal administration and 50% following buccal administration.","Interactions":[{"ID":"DB06274"},{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB01128"},{"ID":"DB00501"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB06210"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00220"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB05271"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00752"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000301","Name":"Fentanyl citrate"}],"Groups":{"approved":true,"illicit":true,"investigational":true},"Pathways":[{"ID":"SMP00415","Drugs":["DB00368","DB00813","DB00988","DB01345","DB01373"]}]},{"ID":"DB00814","Name":"Meloxicam","DrugType":"small molecule","HalfLife":"15-20 hours","Description":"Meloxicam is a nonsteroidal anti-inflammatory drug (NSAID) used to relieve the symptoms of arthritis, primary dysmenorrhea, fever; and as an analgesic, especially where there is an inflammatory component. It is closely related to piroxicam. In Europe it is marketed under the brand names Movalis, Melox, and Recoxa. In North America it is generally marketed under the brand name Mobic. In Latin America, the drug is marketed as Tenaron. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":""},"Indication":"For symptomatic treatment of arthritis and osteoarthritis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e, Acute: 84 mg/kg (Rat); Oral 470 mg/kg (Mouse); Oral 320 mg/kg (Rabbit)","MechanismOfAction":"Anti-inflammatory effects of meloxicam are believed to be due to inhibition of prostaglandin synthetase (cylooxygenase), leading to the inhibition of prostaglandin synthesis. As prostaglandins sensitize pain receptors, inhibition of their synthesis may be associated with the analgesic and antipyretic effects of meloxicam.","Pharmacodynamics":"Meloxicam is an nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic properties. Prostaglandins are substances that contribute to inflammation of joints. Meloxicam inhibits prostaglandin synthetase (cylooxygenase 1 and 2) and leads to a decrease of the synthesis of prostaglandins, therefore, inflammation is reduced.","Absorption":"Absolute bioavailability = 89%","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB01381"},{"ID":"DB01356"},{"ID":"DB06813"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00106","Drugs":["DB00142","DB00143","DB00814","DB01373","DB01593","DB04557"]}]},{"ID":"DB00815","Name":"Sodium lauryl sulfate","DrugType":"small molecule","HalfLife":"","Description":"Sodium Lauryl Sulfate (SLS) is an anionic surfactant naturally derived from coconut and/or palm kernel oil. It usually consisting of a mixture of sodium alkyl sulfates, mainly the lauryl. SLS lowers surface tension of aqueous solutions and is used as fat emulsifier, wetting agent, and detergent in cosmetics, pharmaceuticals and toothpastes. It is also used in creams and pastes to properly disperse the ingredients and as research tool in protein biochemistry. SLS also has some microbicidal activity. ","Classification":{"Description":"This compound belongs to the sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group.","DirectParent":"Sulfuric Acid Monoesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Sulfuric Acids and Derivatives","SubClass":"Sulfuric Acid Monoesters"},"Indication":"SLS is used as a surfactant in shampoos and toothpastes. SLS also has microbicidal activities against both enveloped (Herpes simplex viruses, HIV-1, Semliki Forest virus) and nonenveloped (papillomaviruses, reovirus, rotavirus and poliovirus) viruses, although it has not been approved for this use.","Toxicity":"Oral (LD50): Acute: 1288 mg/kg [Rat]","MechanismOfAction":"Like other surfactants, SLS is amphiphilic. It thus migrates to the surface of liquids, where its alignment and aggregation with other SLS molecules lowers the surface tension. This allows for easier spreading and mixing of the liquid. SLS has potent protein denaturing activity and inhibits the infectivity of viruses by by solubilizing the viral envelope and/or by denaturing envelope and/or capsid proteins.","Pharmacodynamics":"SLS is an anionic surfactant. Its amphiphilic properties make it an ideal detergent. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00816","Name":"Orciprenaline","DrugType":"small molecule","HalfLife":"6 hours","Description":"A beta-adrenergic agonist used in the treatment of asthma and bronchospasms. [PubChem]","Classification":{"Description":"This compound belongs to the resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydrocyl groups at positions 1 and 3.","DirectParent":"Resorcinols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the treatment of bronchospasm, chronic bronchitis, asthma, and emphysema.","Toxicity":"Symptoms of overdose include angina, hypertension or hypotension, arrhythmias, nervousness, headache, tremor, dry mouth, palpitation, nausea, dizziness, fatigue, malaise and insomnia. LD\u003csub\u003e50\u003c/sub\u003e=42 mg/kg (orally in rat).","MechanismOfAction":"Orciprenaline is a moderately selective beta(2)-adrenergic agonist that stimulates receptors of the smooth muscle in the lungs, uterus, and vasculature supplying skeletal muscle, with minimal or no effect on alpha-adrenergic receptors. Intracellularly, the actions of orciprenaline are mediated by cAMP, the production of which is augmented by beta stimulation. The drug is believed to work by activating adenylate cyclase, the enzyme responsible for producing the cellular mediator cAMP.","Pharmacodynamics":"Orciprenaline (also known as metaproterenol), a synthetic amine, is structurally and pharmacologically similar to isoproterenol. Orciprenaline is used exclusively as a bronchodilator. The pharmacologic effects of beta adrenergic agonist drugs, such as orciprenaline, are at least in part attributable to stimulation through beta adrenergic receptors of intracellular adenyl cyclase, the enzyme which catalyzes the conversion of adenosine triphosphate (ATP) to cyclic- 3',5'- adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.","Absorption":"3% (oral bioavailability of 40%)","Interactions":[{"ID":"DB01193"},{"ID":"DB00386"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB01242"},{"ID":"DB01089"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00187"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00598"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00264"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB01203"},{"ID":"DB00540"},{"ID":"DB01580"},{"ID":"DB01626"},{"ID":"DB01359"},{"ID":"DB00780"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00344"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00489"},{"ID":"DB00373"},{"ID":"DB00752"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT000295","Name":"Orciprenaline Sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00817","Name":"Rosoxacin","DrugType":"small molecule","HalfLife":"","Description":"Rosoxacin is a quinolone derivative antibiotic for the treatment of bacterial infection of respiratory tract, urinary tract, GI, CNS and immuno compromised patients. Rosoxacin is known to be effective against penicillin resistant strains and is a single dose orally administered drug, which avoids all complications of parenteral administration seen with penicillin, especially anaphylactic shock.","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of bacterial infection of respiratory tract, urinary tract, GI, CNS and immuno compromised patients.","Toxicity":"","MechanismOfAction":"Rosoxacin binds to and inhibits the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, and recombination.","Pharmacodynamics":"Rosoxacin is a nonfluorinated quinolone antibiotic. Its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase, which allows the untwisting required to replicate one DNA double helix into two. Rosoxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00818","Name":"Propofol","DrugType":"small molecule","HalfLife":"Initial distribution phase t\u003csub\u003e1/2\u0026alpha;\u003c/sub\u003e=1.8-9.5 minutes. Second redistirubtion phase t\u003csub\u003e1/2\u0026beta;\u003c/sub\u003e=21-70 minutes. Terminal elimination phase t\u003csub\u003e1/2\u0026gamma;\u003c/sub\u003e=1.5-31 hours. ","Description":"Propofol is an intravenous anaesthetic agent used for induction and maintenance of general anaesthesia. IV administration of propfol is used to induce unconsciousness after which anaesthesia may be maintained using a combination of medications. Recovery from propofol-induced anaesthesia is generally rapid and associated with less frequent side effects (e.g. drowsiness, nausea, vomiting) than with thiopental, methohexital, and etomidate. Propofol may be used prior to diagnostic procedures requiring anaesthesia, in the management of refractory status epilepticus, and for induction and/or maintenance of anaesthesia prior to and during surgeries.","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"Used for induction and/or maintenance of anaesthesia and for management of refractory status epilepticus. ","Toxicity":"Overdosage may increase pharmacologic and adverse effects or cause death. \r\n\u003cp\u003eIV LD\u003csub\u003e50\u003c/sub\u003e=53 mg/kg (mice), 42 mg/kg (rats). Oral LD\u003csub\u003e50\u003c/sub\u003e (as a solution in soybean oil)=1230 mg/kg (mice), 600 mg/kg (rats)\u003c/p\u003e","MechanismOfAction":"The action of propofol involves a positive modulation of the inhibitory function of the neurotransmitter gama-aminobutyric acid (GABA) through GABA-A receptors.","Pharmacodynamics":"Propofol is a sedative-hypnotic agent for use in the induction and maintenance of anesthesia or sedation. Intravenous injection of a therapeutic dose of propofol produces hypnosis rapidly with minimal excitation, usually within 40 seconds from the start of an injection (the time for one arm-brain circulation).","Absorption":"Rapid - time to onset of unconsciousness is 15-30 seconds, due to rapid distribution from plasma to the CNS. Distribution is so rapid that peak plasma concentrations cannot be readily measured. Duration of action is 5-10 minutes. ","Interactions":[{"ID":"DB00382"},{"ID":"DB00697"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00819","Name":"Acetazolamide","DrugType":"small molecule","HalfLife":"3 to 9 hours","Description":"One of the carbonic anhydrase inhibitors that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337)","Classification":{"Description":"This compound belongs to the aminothiadiazoles. These are thiadiazoles with an amino group attached to the thiadiazole ring.","DirectParent":"Aminothiadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiadiazoles"},"Indication":"For adjunctive treatment of: edema due to congestive heart failure; drug-induced edema; centrencephalic epilepsies; chronic simple (open-angle) glaucoma","Toxicity":"","MechanismOfAction":"The anticonvulsant activity of Acetazolamide may depend on a direct inhibition of carbonic anhydrase in the CNS, which decreases carbon dioxide tension in the pulmonary alveoli, thus increasing arterial oxygen tension. The diuretic effect depends on the inhibition of carbonic anhydrase, causing a reduction in the availability of hydrogen ions for active transport in the renal tubule lumen. This leads to alkaline urine and an increase in the excretion of bicarbonate, sodium, potassium, and water.","Pharmacodynamics":"Acetazolamide is a potent carbonic anhydrase inhibitor, effective in the control of fluid secretion, in the treatment of certain convulsive disorders and in the promotion of diuresis in instances of abnormal fluid retention. Acetazolamide is not a mercurial diuretic. Rather, it is a nonbacteriostatic sulfonamide possessing a chemical structure and pharmacological activity distinctly different from the bacteriostatic sulfonamides.","Absorption":"","Interactions":[{"ID":"DB00945"},{"ID":"DB01294"},{"ID":"DB01194"},{"ID":"DB00091"},{"ID":"DB01043"},{"ID":"DB00684"},{"ID":"DB00273"},{"ID":"DB00374"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000539","Name":"Acetazolamide Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00820","Name":"Tadalafil","DrugType":"small molecule","HalfLife":"17.5 hours","Description":"Tadalafil is an orally adminstered drug used to treat male erectile dysfunction (impotence). It is marketed worldwide under the brand name Cialis. It is a phosphodiesterase 5 (PDE5) inhibitor. Tadalafil's distinguishing pharmacologic feature is its longer half-life (17.5 hours) compared with Viagra and Levitra (4-5 hours). This longer half-life results in a longer duration of action and is, in part, responsible for the Cialis nickname of the \"weekend pill.\" This longer half-life also is the basis of current investigation for tadalafil's use in pulmonary arterial hypertension as a once-daily therapy. [Wikipedia]","Classification":{"Description":"This compound belongs to the beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.","DirectParent":"Beta Carbolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyridoindoles"},"Indication":"Used for the treatment of erectile dysfunction.","Toxicity":"Oral, Rat LD\u003csub\u003e50\u003c/sub\u003e = 2000 mg/kg, no deaths or toxicity.","MechanismOfAction":"Tadalafil inhibits the cGMP specific phosphodiesterase type 5 (PDE5) which is responsible for degradation of cGMP in the corpus cavernosum located around the penis. Penile erection during sexual stimulation is caused by increased penile blood flow resulting from the relaxation of penile arteries and corpus cavernosal smooth muscle. This response is mediated by the release of nitric oxide (NO) from nerve terminals and endothelial cells, which stimulates the synthesis of cGMP in smooth muscle cells. Cyclic GMP causes smooth muscle relaxation and increased blood flow into the corpus cavernosum. The inhibition of phosphodiesterase type 5 (PDE5) by tadalafil enhances erectile function by increasing the amount of cGMP.","Pharmacodynamics":"Tadalafil is used to treat male erectile dysfunction (impotence) and pulmonary arterial hypertension (PAH). Part of the physiological process of erection involves the release of nitric oxide (NO) in the corpus cavernosum. This then activates the enzyme guanylate cyclase which results in increased levels of cyclic guanosine monophosphate (cGMP), leading to smooth muscle relaxation in the corpus cavernosum, resulting in increased inflow of blood and an erection. Tadalafil is a potent and selective inhibitor of cGMP specific phosphodiesterase type 5 (PDE5) which is responsible for degradation of cGMP in the corpus cavernosum. This means that, with tadalafil on board, normal sexual stimulation leads to increased levels of cGMP in the corpus cavernosum which leads to better erections. Without sexual stimulation and no activation of the NO/cGMP system, tadalafil should not cause an erection.","Absorption":"After single oral-dose administration, the maximum observed plasma concentration (Cmax) of tadalafil is achieved between 30 minutes and 6 hours (median time of 2 hours). Absolute bioavailability of tadalafil following oral dosing has not been determined.","Interactions":[{"ID":"DB00346"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB08822"},{"ID":"DB08873"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB00590"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB01110"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB00727"},{"ID":"DB06154"},{"ID":"DB00925"},{"ID":"DB00692"},{"ID":"DB01263"},{"ID":"DB00457"},{"ID":"DB00908"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB01162"},{"ID":"DB00932"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00821","Name":"Carprofen","DrugType":"small molecule","HalfLife":"Approximately 8 hours (range 4.5\u0026ndash;9.8 hours) in dogs.","Description":"Carprofen is a non-steroidal anti-inflammatory drug (NSAID) that is used by veterinarians as a supportive treatment for the relief of arthritic symptoms in geriatric dogs. Carprofen was previously used in human medicine for over 10 years (1985-1995). It was generally well tolerated, with the majority of adverse effects being mild, such as gastro-intestinal pain and nausea, similar to those recorded with aspirin and other non-steroidal anti-inflammatory drugs. It is no longer marketed for human usage, after being withdrawn on commercial grounds. [Wikipedia]","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"For use as a pain reliever in the treatment of joint pain and post-surgical pain.","Toxicity":"Symptoms of NSAID overdose include dizziness and nystagmus. Oral LD\u003csub\u003e50\u003c/sub\u003e in mouse and rat is 282 mg/kg and 149 mg/kg, respectively.","MechanismOfAction":"The mechanism of action of carprofen, like that of other NSAIDs, is believed to be associated with the inhibition of cyclooxygenase activity. Two unique cyclooxygenases have been described in mammals. The constitutive cyclooxygenase, COX-1, synthesizes prostaglandins necessary for normal gastrointestinal and renal function. The inducible cyclooxygenase, COX-2, generates prostaglandins involved in inflammation. Inhibition of COX-1 is thought to be associated with gastrointestinal and renal toxicity while inhibition of COX-2 provides anti-inflammatory activity. In an \u003ci\u003ein vitro\u003c/i\u003e study using canine cell cultures, carprofen demonstrated selective inhibition of COX-2 versus COX-1.","Pharmacodynamics":"Carprofen is a non-steroidal anti-inflammatory drug (NSAID) of the propionic acid class that includes ibuprofen, naproxen, and ketoprofen. It is no longer used in the clinical setting, but is approved for use in dogs. Carprofen is non-narcotic and has characteristic analgesic and antipyretic activity approximately equipotent to indomethacin in animal models.","Absorption":"Rapidly and nearly completely absorbed (more than 90% bioavailable) when administered orally.","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":[{"ID":"SMP00694","Drugs":["DB00142","DB00143","DB00821","DB01373","DB01593","DB04557"]}]},{"ID":"DB00822","Name":"Disulfiram","DrugType":"small molecule","HalfLife":"","Description":"A carbamate derivative used as an alcohol deterrent. It is a relatively nontoxic substance when administered alone, but markedly alters the intermediary metabolism of alcohol. When alcohol is ingested after administration of disulfiram, blood acetaldehyde concentrations are increased, followed by flushing, systemic vasodilation, respiratory difficulties, nausea, hypotension, and other symptoms (acetaldehyde syndrome). It acts by inhibiting aldehyde dehydrogenase. [PubChem]","Classification":{"Description":"This compound belongs to the organic thiocarbonic acid derivatives. These are organic compounds containing the thiocarbonic acid structure or a derivative thereof.","DirectParent":"Organic Thiocarbonic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organosulfur Compounds","Class":"Thiocarbonyl Compounds","SubClass":"Organic Thiocarbonic Acid Derivatives"},"Indication":"For the treatment and management of chronic alcoholism","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=8.6g/kg (orally in rats). Symptoms of overdose include irritation, slight drowsiness, unpleasant taste, mild GI disturbances, and orthostatic hypotension.","MechanismOfAction":"Disulfiram blocks the oxidation of alcohol at the acetaldehyde stage during alcohol metabolism following disulfiram intake causing an accumulation of acetaldehyde in the blood producing highly unpleasant symptoms. Disulfiram blocks the oxidation of alcohol through its irreversible inactivation of aldehyde dehydrogenase, which acts in the second step of ethanol utilization. In addition, disulfiram competitively binds and inhibits the peripheral benzodiazepine receptor, which may indicate some value in the treatment of the symptoms of alcohol withdrawal, however this activity has not been extensively studied.","Pharmacodynamics":"Disulfiram produces a sensitivity to alcohol which results in a highly unpleasant reaction when the patient under treatment ingests even small amounts of alcohol. Disulfiram blocks the oxidation of alcohol at the acetaldehyde stage during alcohol metabolism following disulfiram intake, the concentration of acetaldehyde occurring in the blood may be 5 to 10 times higher than that found during metabolism of the same amount of alcohol alone. Accumulation of acetaldehyde in the blood produces a complex of highly unpleasant symptoms referred to hereinafter as the disulfiram-alcohol reaction. This reaction, which is proportional to the dosage of both disulfiram and alcohol, will persist as long as alcohol is being metabolized. Disulfiram does not appear to influence the rate of alcohol elimination from the body. Prolonged administration of disulfiram does not produce tolerance; the longer a patient remains on therapy, the more exquisitely sensitive he becomes to alcohol.","Absorption":"Disulfiram is absorbed slowly from the gastrointestinal tract (80 to 90% of oral dose).","Interactions":[{"ID":"DB01418"},{"ID":"DB01223"},{"ID":"DB00701"},{"ID":"DB01125"},{"ID":"DB00356"},{"ID":"DB00907"},{"ID":"DB00266"},{"ID":"DB00651"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00951"},{"ID":"DB00532"},{"ID":"DB00916"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB00277"},{"ID":"DB00932"},{"ID":"DB00347"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB00823","Name":"Ethynodiol","DrugType":"small molecule","HalfLife":"","Description":"A synthetic progestational hormone used alone or in combination with estrogens as an oral contraceptive. [PubChem]","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"For the prevention of pregnancy in women who elect to use this product as a method of contraception.","Toxicity":"","MechanismOfAction":"Binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like Ethynodiol Diacetate will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge.","Pharmacodynamics":"Ethynodiol Diacetate is used as a female contraceptive. Ethynodiol Diacetate is a progestin or a synthetic form of the naturally occurring female sex hormone, progesterone. In a woman's normal menstrual cycle, an egg matures and is released from the ovaries (ovulation). The ovary then produces progesterone, preventing the release of further eggs and priming the lining of the womb for a possible pregnancy. If pregnancy occurs, progesterone levels in the body remain high, maintaining the womb lining. If pregnancy does not occur, progesterone levels in the body fall, resulting in a menstrual period. Ethynodiol Diacetate tricks the body processes into thinking that ovulation has already occurred, by maintaining high levels of the synthetic progesterone. This prevents the release of eggs from the ovaries.","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB00307"},{"ID":"DB00930"},{"ID":"DB00599"},{"ID":"DB00755"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000942","Name":"Ethinodiol Diacetate"},{"ID":"DBSALT000941","Name":"Metrodiol Diacetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00824","Name":"Enprofylline","DrugType":"small molecule","HalfLife":"1.9 hours","Description":"Enprofylline is a derivative of theophylline which shares bronchodilator properties. Enprofylline is used in asthma, chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy. Long-term enprofylline administration may be associated with elevation in liver enzyme levels and unpredictable blood levels.","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"Used in the management of symptoms of asthma. Also used in the treatment of peripheral vascular diseases and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy.","Toxicity":"","MechanismOfAction":"Enprofylline inhibits erythrocyte phosphodiesterase, resulting in an increase in erythrocyte cAMP activity. Subsequently, the erythrocyte membrane becomes more resistant to deformity. Along with erythrocyte activity, enprofylline also decreases blood viscosity by reducing plasma fibrinogen concentrations and increasing fibrinolytic activity.","Pharmacodynamics":"Enprofylline is a synthetic dimethylxanthine derivative structurally related to theophylline and caffeine. It antagonizes erythrocyte phosphodiesterase, increasing cAMP activity.","Absorption":"Rapidly absorbed from the digestive tract","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00825","Name":"Menthol","DrugType":"small molecule","HalfLife":"","Description":"Menthol is a covalent organic compound made synthetically or obtained from peppermint or other mint oils. It is a waxy, crystalline substance, clear or white in color, which is solid at room temperature and melts slightly above. The main form of menthol occurring in nature is (-)-menthol, which is assigned the (1R,2S,5R) configuration. Menthol has local anesthetic and counterirritant qualities, and it is widely used to relieve minor throat irritation.","Classification":{"Description":"This compound belongs to the monocyclic monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain.","DirectParent":"Monocyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"Used to treat occasional minor irritation, pain, sore mouth, and sore throat as well as cough associated with a cold or inhaled irritants.","Toxicity":"Menthol, DL: ORAL (LD50): Acute: 2900 mg/kg [Rat], 3100 mg/kg [Mouse]. DERMAL (LD50): Acute: 5001 mg/kg [Rabbit].","MechanismOfAction":"Menthol primarily activates the cold-sensitive TRPM8 receptors in the skin. Menthol, after topical application, causes a feeling of coolness due to stimulation of 'cold' receptors by inhibiting Ca++ currents of neuronal membranes. It may also yield analgesic properties via kappa-opioid receptor agonism. ","Pharmacodynamics":"Menthol is a covalent organic compound made synthetically or obtained from peppermint or other mint oils. Menthol's ability to chemically trigger cold-sensitive receptors in the skin is responsible for the well known cooling sensation that it provokes when inhalated, eaten, or applied to the skin. It should be noted that menthol does not cause an actual drop in temperature.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00826","Name":"Natamycin","DrugType":"small molecule","HalfLife":"","Description":"Amphoteric macrolide antifungal antibiotic from Streptomyces natalensis or S. chattanoogensis. It is used for a variety of fungal infections, mainly topically. [PubChem]","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"For the treatment of fungal blepharitis, conjunctivitis, and keratitis caused by susceptible organisms including \u003ci\u003eFusarium solani\u003c/i\u003e keratitis.","Toxicity":"","MechanismOfAction":"LIke other polyene antibiotics, Natamycin inhibits fungal growth by binding to sterols. Specifically, Natamycin binds to ergosterol in the plasma membrane, preventing ergosterol-dependent fusion of vacuoles, as well as membrane fusion and fission. This differs from the mechanism of most other polyene antibiotics, which tend to work by altering fungal membrane permeability instead.","Pharmacodynamics":"Natamycin is an antifungal drug for topical ophthalmic administration. It is a tetraene polyene antibiotic derived from \u003ci\u003eStreptomyces natalensis\u003c/i\u003e. It possesses in vitro activity against a variety of yeast and filamentous fungi, including \u003ci\u003eCandida\u003c/i\u003e, \u003ci\u003eAspergillus\u003c/i\u003e, \u003ci\u003eCephalosporium\u003c/i\u003e, \u003ci\u003eFusarium\u003c/i\u003e and \u003ci\u003ePenicillium\u003c/i\u003e. Although the activity against fungi is dose-related, natamycin is predominantly fungicidal. Natamycin is not effective in vitro against gram-positive or gram-negative bacteria. Topical administration appears to produce effective concentrations of natamycin within the corneal stroma but not in intraocular fluid.","Absorption":"Systemic absorption should not be expected following topical administration, and as with other polyene antibiotics, absorption from the gastrointestinal tract is very poor.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00827","Name":"Cinoxacin","DrugType":"small molecule","HalfLife":"The mean serum half-life is 1.5 hours. Half-life in patients with impaired renal function may exceed 10 hours.","Description":"Synthetic antimicrobial related to oxolinic acid and nalidixic acid and used in urinary tract infections. [PubChem]","Classification":{"Description":"This compound belongs to the cinnolines. These are organic aromatic compounds containing a benzene fused to a pyridazine ring.","DirectParent":"Cinnolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Cinnolines"},"Indication":"For the treatment of initial and recurrent urinary tract infections in adults caused by the following susceptible microorganisms: \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eProteus mirabilis\u003c/i\u003e, \u003ci\u003eProteus vulgaris\u003c/i\u003e, \u003ci\u003eKlebsiella\u003c/i\u003e species (including \u003ci\u003eK. pneumoniae\u003c/i\u003e), and \u003ci\u003eEnterobacter\u003c/i\u003e species.","Toxicity":"Oral, subcutaneous, and intravenous LD\u003csub\u003e50\u003c/sub\u003e in the rat is 3610 mg/kg, 1380 mg/kg, and 860 mg/kg, respectively. Oral, subcutaneous, and intravenous LD\u003csub\u003e50\u003c/sub\u003e in the mouse is 2330 mg/kg, 900 mg/kg, and 850 mg/kg, respectively.Symptoms following an overdose of cinoxacin may include anorexia, nausea, vomiting, epigastric distress, and diarrhea. The severity of the epigastric distress and the diarrhea are dose related. Headache, dizziness, insomnia, photophobia, tinnitus, and a tingling sensation have been reported in some patients.","MechanismOfAction":"Evidence exists that cinoxacin binds strongly, but reversibly, to DNA, interfering with synthesis of RNA and, consequently, with protein synthesis. It appears to also inhibit DNA gyrase. This enzyme is necessary for proper replicated DNA separation. By inhibiting this enzyme, DNA replication and cell division is inhibited.","Pharmacodynamics":"Cinoxacin is a synthetic antibacterial agent with \u003ci\u003ein vitro\u003c/i\u003e activity against many gram-negative aerobic bacteria, particularly strains of the Enterobacteriaceae family. Cinoxacin inhibits bacterial deoxyribonucleic acid (DNA) synthesis, is bactericidal, and is active over the entire urinary pH range. Cross resistance with nalidixic acid has been demonstrated.","Absorption":"Rapidly absorbed after oral administration. The presence of food delays absorption but does does not affect total absorption.","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00828","Name":"Fosfomycin","DrugType":"small molecule","HalfLife":"5.7 (\u0026plusmn; 2.8) hours. The elimination half-life is 40 hours in anuric patients undergoing hemodialysis.","Description":"An antibiotic produced by Streptomyces fradiae. [PubChem]","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"For the treatment of uncomplicated urinary tract infections (acute cystitis) in women due to susceptible strains of \u003ci\u003eEscherichia coli\u003c/i\u003e and \u003ci\u003eEnterococcus faecalis\u003c/i\u003e.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e\u003e5 g/kg (rats). Side effects may include diarrhea","MechanismOfAction":"Fosfomycin is a phosphoenolpyruvate analogue produced by Streptomyces that irreversibly inhibits enolpyruvate transferase (MurA), which prevents the formation of N-acetylmuramic acid, an essential element of the peptidoglycan cell wall.","Pharmacodynamics":"Fosfomycin is a broad spectrum antibiotic that concentrates in kidney and bladder and is used to treat uncomplicated urinary tract infections. Fosfomycin also reduces nephrotoxicity and ototoxicity of platinum-containing anti-tumor agents.","Absorption":"Fosfomycin tromethamine is rapidly absorbed following oral administration and converted to fosfomycin. Oral bioavailability under fasting conditions is 37%. When given with food, oral bioavailability is reduced to 30%","Interactions":null,"Salts":[{"ID":"DBSALT000780","Name":"Fosfomycin calcium monohydrate"},{"ID":"DBSALT000454","Name":"Fosfomycin disodium"},{"ID":"DBSALT000781","Name":"Fosfomycin tromethamine"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00829","Name":"Diazepam","DrugType":"small molecule","HalfLife":"Biphasic 1-2 days and 2-5 days, active metabolites with long half lives.","Description":"A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of gamma-aminobutyric acid activity. It is used in the treatment of severe anxiety disorders, as a hypnotic in the short-term management of insomnia, as a sedative and premedicant, as an anticonvulsant, and in the management of alcohol withdrawal syndrome. (From Martindale, The Extra Pharmacopoeia, 30th ed, p589)","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Used in the treatment of severe anxiety disorders, as a hypnotic in the short-term management of insomnia, as a sedative and premedicant, as an anticonvulsant, and in the management of alcohol withdrawal syndrome.","Toxicity":"Symptoms of overdose include somnolence, confusion, coma, and diminished reflexes. Respiration, pulse and blood pressure should be monitored.","MechanismOfAction":"Benzodiazepines bind nonspecifically to benzodiazepine receptors which mediate sleep, affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABA\u003csub\u003eA\u003c/sub\u003e) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Pharmacodynamics":"Diazepam, a benzodiazepine, generates the same active metabolite as chlordiazepoxide and clorazepate. In animals, diazepam appears to act on parts of the limbic system, the thalamus and hypothalamus, and induces calming effects. Diazepam, unlike chlorpromazine and reserpine, has no demonstrable peripheral autonomic blocking action, nor does it produce extrapyramidal side effects; however, animals treated with diazepam do have a transient ataxia at higher doses. Diazepam was found to have transient cardiovascular depressor effects in dogs. Long-term experiments in rats revealed no disturbances of endocrine function. Injections into animals have produced localized irritation of tissue surrounding injection sites and some thickening of veins after intravenous use.","Absorption":"Essentially complete, with a bioavailability of 93%.","Interactions":[{"ID":"DB00701"},{"ID":"DB00501"},{"ID":"DB01211"},{"ID":"DB00363"},{"ID":"DB00390"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00252"},{"ID":"DB01369"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01323"},{"ID":"DB00976"},{"ID":"DB00208"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00830","Name":"Phenmetrazine","DrugType":"small molecule","HalfLife":"16 to 31 hours","Description":"A sympathomimetic drug used primarily as an appetite depressant. Its actions and mechanisms are similar to dextroamphetamine. [PubChem]","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"Used as an anorectic in the treatment of obesity.","Toxicity":"Adult monkeys have an LD\u003csub\u003e50\u003c/sub\u003e of 15 to 20 mg/kg, whereas for young monkeys the LD\u003csub\u003e50\u003c/sub\u003e is only 5 mg/kg. Symptoms of overdose include acute central nervous system stimulation, cardiotoxicity causing tachycardia, arrhythmias, hypertension, and cardiovascular collapse. Whilst some patients show signs of toxicity at blood concentrations of 20 \u0026micro;g/L, chronic abusers of amphetamine have been known to have blood concentration of up to 3000 \u0026micro;g/L.","MechanismOfAction":"Phenmetrazine is thought to block the reuptake of norepinephrine and dopamine into the presynaptic neuron leading to an increase in the release of these monoamines into the extraneuronal space. Dopamine integrates incoming sensory stimuli, initiates and controls fine movement (nigro-neostriatal pathway), controls emotional behavior (midbrain mesolimbic-forebrain system) and controls hypothalamic-pituitary endocrine system (tubero-infundibular system). It is this latter effect on the tubero-infundibular systm that seems to lead to reduced food intake. Phenmetrazine also acts as a monoamine oxidase inhibitor.","Pharmacodynamics":"Phenmetrazine is a sympathomimetic drug used primarily as an appetite depressant. Its actions and mechanisms are similar to dextroamphetamine. Amphetamines are non-catecholamine sympathomimetic amines with CNS stimulant activity. Phenmetrazine was originally sold under the tradename Preludin as an anorectic. It has since been removed from the market. It is by some considered to have a greater potential for addiction than the amphetamines, and has been abused in many countries, for example Sweden.","Absorption":"Readily absorbed from the gastro-intestinal tract and buccal mucosa.","Interactions":[{"ID":"DB00477"},{"ID":"DB00623"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00850"},{"ID":"DB00433"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB01367"},{"ID":"DB00679"},{"ID":"DB00831"}],"Salts":[{"ID":"DBSALT000705","Name":"Phenmetrazine hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00831","Name":"Trifluoperazine","DrugType":"small molecule","HalfLife":"10-20 hours","Description":"A phenothiazine with actions similar to chlorpromazine. It is used as an antipsychotic and an antiemetic. [PubChem]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the treatment of anxiety disorders, depressive symptoms secondary to anxiety and agitation.","Toxicity":"Symptoms of overdose include agitation, coma, convulsions, difficulty breathing, difficulty swallowing, dry mouth, extreme sleepiness, fever, intestinal blockage, irregular heart rate, low blood pressure, and restlessness.","MechanismOfAction":"Trifluoperazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis.","Pharmacodynamics":"Trifluoperazine is a trifluoro-methyl phenothiazine derivative intended for the management of schizophrenia and other psychotic disorders. Trifluoperazine has not been shown effective in the management of behaviorial complications in patients with mental retardation.","Absorption":"","Interactions":[{"ID":"DB00182"},{"ID":"DB00865"},{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB00579"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00989"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00730"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000569","Name":"Trifluoperazine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00832","Name":"Phensuximide","DrugType":"small molecule","HalfLife":"","Description":"Phensuximide is an anticonvulsant in the succinimide class. It suppresses the paroxysmal three cycle per second spike and wave EEG pattern associated with lapses of consciousness in petit mal seizures. The frequency of attacks is reduced by depression of nerve transmission in the motor cortex.","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"For the treatment of epilepsy.","Toxicity":"","MechanismOfAction":"Phensuximide's mechanism of action not understood, but may act in inhibitory neuronal systems that are important in the generation of the three per second rhythm. It's effects may be related to its ability to inhibit depolarization-induced accumulation of cyclic AMP and cyclic GMP in brain tissue.","Pharmacodynamics":"Phensuximide suppresses the paroxysmal three cycle per second spike and wave EEG pattern associated with lapses of consciousness in absence (petit mal) seizures. The frequency of attacks is reduced by depression of nerve transmission in the motor cortex.","Absorption":"Rapid and complete.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00833","Name":"Cefaclor","DrugType":"small molecule","HalfLife":"0.6-0.9 hour","Description":"Semisynthetic, broad-spectrum antibiotic derivative of cephalexin. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of certain infections caused by bacteria such as pneumonia and ear, lung, skin, throat, and urinary tract infections.","Toxicity":"Symptoms of overdose include diarrhea, nausea, stomach upset, and vomiting.","MechanismOfAction":"Cefaclor, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins. It is possible that cefaclor interferes with an autolysin inhibitor.","Pharmacodynamics":"Cefaclor is a second generation cephalosporin antibiotic with a spectrum resembling first-generation cephalosporins. \u003ci\u003eIn vitro\u003c/i\u003e tests demonstrate that the bactericidal action of the cephalosporins results from inhibition of cell-wall synthesis. Cefaclor has been shown to be active against most strains of the following microorganisms, both in vitro and in clinical infections: Gram positive aerobes - Staphylococci (including coagulase-positive, coagulase-negative, and penicillinase-producing strains), \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, and \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e (group A \u0026szlig;-hemolytic streptococci). Gram-negative aerobes - \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e (including \u0026szlig;-lactamase-producing ampicillin-resistant strains), \u003ci\u003eKlebsiella sp\u003c/i\u003e, and \u003ci\u003eProteus mirabilis\u003c/i\u003e.","Absorption":"Well absorbed after oral administration, independent of food intake.","Interactions":[{"ID":"DB01032"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00834","Name":"Mifepristone","DrugType":"small molecule","HalfLife":"18 hours","Description":"A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary cushing syndrome [PubChem]. The two marketed forms of mifepristone are Mifeprex® (mifepristone 200mg) and Korlym™ (mifepristone 300mg). Currently under investigation for use in psychotic depression (phase 3 trials). ","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"For the medical termination of intrauterine pregnancy through 49 days' pregnancy. Also indicated to control hyperglycemia secondary to hypercortisolism in adult patients with endogenous Cushing's syndrome who have type 2 diabetes mellitus or glucose intolerance and are not candidates for surgery or have had unsuccessful surgery.","Toxicity":"Nearly all of the women who receive mifepristone will report adverse reactions, and many can be expected to report more than one such reaction. About 90% of patients report adverse reactions following administration of misoprostol on day three of the treatment procedure. Side effects include more heavy bleeding than a heavy menstrual period, abdominal pain, uterine cramping, nausea, vomiting, and diarrhea.","MechanismOfAction":"The anti-progestational activity of mifepristone results from competitive interaction with progesterone at progesterone-receptor sites. Based on studies with various oral doses in several animal species (mouse, rat, rabbit and monkey), the compound inhibits the activity of endogenous or exogenous progesterone. The termination of pregnancy results.\r\n\r\nIn the treatment of Cushing's syndrome, Mifepristone blocks the binding of cortisol to its receptor. It does not decrease cortisol production but reduces the effects of excess cortisol, such as high blood sugar levels.","Pharmacodynamics":"Mifepristone is a synthetic steroid with antiprogestational effects indicated for the medical termination of intrauterine pregnancy through 49 days' pregnancy. Doses of 1 mg/kg or greater of mifepristone have been shown to antagonize the endometrial and myometrial effects of progesterone in women. During pregnancy, the compound sensitizes the myometrium to the contraction-inducing activity of prostaglandins. Mifepristone also exhibits antiglucocorticoid and weak antiandrogenic activity. The activity of the glucocorticoid dexamethasone in rats was inhibited following doses of 10 to 25 mg/kg of mifepristone. Doses of 4.5 mg/kg or greater in human beings resulted in a compensatory elevation of adrenocorticotropic hormone (ACTH) and cortisol.","Absorption":"The absolute bioavailability of a 20 mg oral dose is 69%","Interactions":[{"ID":"DB06719"},{"ID":"DB06695"},{"ID":"DB06699"},{"ID":"DB06414"},{"ID":"DB00107"},{"ID":"DB06663"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00835","Name":"Brompheniramine","DrugType":"small molecule","HalfLife":"","Description":"Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria. [PubChem]","Classification":{"Description":"This compound belongs to the pheniramines. These are compounds containing a pheniramine moiety, which is structurally characterized by the presence of a 2-benzylpyridine linked to an dimethyl(propyl)amine to form a dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine skeleton.","DirectParent":"Pheniramines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pheniramines"},"Indication":"For the treatment of the symptoms of the common cold and allergic rhinitis, such as runny nose, itchy eyes, watery eyes, and sneezing.","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 318 mg/kg. Signs of overdose include fast or irregular heartbeat, mental or mood changes, tightness in the chest, and unusual tiredness or weakness.","MechanismOfAction":"Brompheniramine works by acting as an antagonist of the H1 histamine receptors. It also functions as a moderately effective anticholingeric agent, likely an antimuscarinic agent similar to other common antihistamines such as diphenhydramine. Its effects on the cholinergic system may include side-effects such as drowsiness, sedation, dry mouth, dry throat, blurred vision, and increased heart rate.","Pharmacodynamics":"Brompheniramine is an antihistaminergic medication of the propylamine class. It is a first-generation antihistamine. In allergic reactions an allergen interacts with and cross-links surface IgE antibodies on mast cells and basophils. Once the mast cell-antibody-antigen complex is formed, a complex series of events occurs that eventually leads to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H\u003csub\u003e1\u003c/sub\u003e-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Brompheniramine is a histamine H1 antagonist (or more correctly, an inverse histamine agonist) of the alkylamine class. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.","Absorption":"Antihistamines are well absorbed from the gastrointestinal tract after oral administration.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000940","Name":"Brompheniramine maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00836","Name":"Loperamide","DrugType":"small molecule","HalfLife":"9.1 to 14.4 hours (average 10.8 hours)","Description":"One of the long-acting synthetic antidiarrheals; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the control and symptomatic relief of acute nonspecific diarrhea and of chronic diarrhea associated with inflammatory bowel disease or gastroenteritis. Also used for reducing the volume of discharge from ileostomies.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 105 mg/kg. Symptoms of overdose include constipation, drowsiness, lethargy, and nausea.","MechanismOfAction":"\u003ci\u003eIn vitro\u003c/i\u003e and animal studies show that Loperamide acts by slowing intestinal motility and by affecting water and electrolyte movement through the bowel. Loperamide inhibits peristaltic activity by a direct effect on the circular and longitudinal muscles of the intestinal wall. It is a non-selective calcium channel blocker and binds to opioid mu-receptors. Evidence also suggests that at higher concentrations it binds to calmodulin.","Pharmacodynamics":"Loperamide is a synthetic anti-diarrheal indicated for the control and symptomatic relief of acute nonspecific diarrhea and of chronic diarrhea associated with inflammatory bowel disease. Loperamide is also indicated for reducing the volume of discharge from ileostomies. In man, Loperamide prolongs the transit time of the intestinal contents. It reduces the daily fecal volume, increases the viscosity and bulk density, and diminishes the loss of fluid and electrolytes. Tolerance to the antidiarrheal effect has not been observed. Loperamide is an opioid receptor agonist and acts on the mu opioid receptors in the myenteric plexus large intestines; it does not affect the central nervous system like other opioids. It works specifically by decreasing the activity of the myenteric plexus which decreases the motility of the circular and longitudinal smooth muscles of the intestinal wall. This increases the amount of time substances stay in the intestine, allowing for more water to be absorbed out of the fecal matter. Loperamide also decreases colonic mass movements and suppresses the gastrocolic reflex.","Absorption":"Not significantly absorbed from the gut","Interactions":null,"Salts":[{"ID":"DBSALT000709","Name":"Loperamide hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00837","Name":"Progabide","DrugType":"small molecule","HalfLife":"4 hours","Description":"Progabide is an analog and prodrug of gamma-aminobutyric acid. It is commonly used in the treatment of epilepsy. It has agonistic activity for both the GABAA and GABAB receptors. Progabide has been investigated for many diseases besides epilepsy, including Parkinson's disease, schizophrenia, clinical depression and anxiety disorder with varying success.","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Indicated for the treatment of epilepsy.","Toxicity":"","MechanismOfAction":"Progabide binds to both GABA\u003csub\u003eA\u003c/sub\u003e and GABA\u003csub\u003eB\u003c/sub\u003e receptors located on the terminals of primary afferent fibers. Binding to GABA\u003csub\u003eA\u003c/sub\u003e results in an increased affinity of the GABA receptor for the amino acid, an augmented flux of chloride ions across the terminal membrane, and an increase in the amount of presynaptic inhibition. Activation of the GABA\u003csub\u003eB\u003c/sub\u003e receptors retards the influx of calcium ions into the terminals, thereby reducing the evoked release of excitatory amino acids and possibly other transmitters.","Pharmacodynamics":"Progabide, a fatty acid derivative, is a GABA receptor agonist used to treat the symptoms of epilepsy.","Absorption":"Well absorbed with a bioavailability of 60%","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00838","Name":"Clocortolone","DrugType":"small molecule","HalfLife":"","Description":"Clocortolone is a medium potency corticosteroid that is often used as a topical cream for the relief of inflammatory oand pruritic (itching) arising from steroid-responsive dermatoses of the scalp.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For short-term topical treatment of the inflammatory and pruritic manifestations of moderate to severe corticosteroid-responsive dermatoses of the scalp.","Toxicity":"Topically applied clocortolone can be absorbed in sufficient amounts to produce systemic effects. Symptoms of overdose include thinning of skin and suppression of adrenal cortex (decreased ability to respond to stress).","MechanismOfAction":"The precise mechanism of the antiinflammatory activity of topical steroids in the treatment of steroid-responsive dermatoses, in general, is uncertain. However, corticosteroids are thought to act by the induction of phospholipase A\u003csub\u003e2\u003c/sub\u003e inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A\u003csub\u003e2\u003c/sub\u003e. These enzyme transcriptional changes are mediated by the drug binding first to the glucocorticoid receptor. This complex can migrate to the cell nucleus which then binds to DNA initiating genetic activation and repression of various genes.","Pharmacodynamics":"Like other topical corticosteroids, clocortolone has anti-inflammatory, antipruritic, and vasoconstrictive properties. Once absorbed through the skin, topical corticosteroids are handled through pharmacokinetic pathways similar to systemically administered corticosteroids. Clocortolone is a moderate potency topical corticosteroid that should not be used with occlusive dressings. It is recommended that treatment should be limited to 2 consecutive weeks and therapy should be discontinued when adequate results have been achieved.","Absorption":"Topical corticosteroids can be absorbed from intact healthy skin. The extent of percutaneous absorption of topical corticosteroids is determined by many factors, including the vehicle and the integrity of the epidermal barrier. Occlusion, inflammation and/or other disease processes in the skin may also increase percutaneous absorption.","Interactions":[{"ID":"DB00041"},{"ID":"DB05521"}],"Salts":[{"ID":"DBSALT000939","Name":"Clocortolone trimethylacetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00839","Name":"Tolazamide","DrugType":"small molecule","HalfLife":"The average biological half-life of the drug is 7 hours.","Description":"A sulphonylurea hypoglycemic agent with actions and uses similar to those of chlorpropamide. [PubChem]","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For use as an adjunct to diet to lower the blood glucose in patients with non-insulin dependent diabetes mellitus (Type II) whose hyperglycemia cannot be satisfactorily controlled by diet alone.","Toxicity":"Overdosage of sulfonylureas can produce hypoglycemia. Severe hypoglycemic reactions with coma, seizure, or other neurological impairment occur infrequently, but constitute medical emergencies requiring immediate hospitalization.","MechanismOfAction":"Sulfonylureas likely bind to ATP-sensitive potassium-channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Depolarization stimulates calcium ion influx through voltage-sensitive calcium channels, raising intracellular concentrations of calcium ions, which induces the secretion, or exocytosis, of insulin.","Pharmacodynamics":"Tolazamide is an oral blood glucose lowering drug of the sulfonylurea class. Tolazamide appears to lower the blood glucose acutely by stimulating the release of insulin from the pancreas, an effect dependent upon functioning beta cells in the pancreatic islets. The mechanism by which tolazamide lowers blood glucose during long-term administration has not been clearly established. With chronic administration in Type II diabetic patients, the blood glucose lowering effect persists despite a gradual decline in the insulin secretory response to the drug. Extrapancreatic effects may be involved in the mechanism of action of oral sulfonylurea hypoglycemic drugs. Some patients who are initially responsive to oral hypoglycemic drugs, including tolazamide, may become unresponsive or poorly responsive over time. Alternatively, tolazamide may be effective in some patients who have become unresponsive to one or more other sulfonylurea drugs. In addition to its blood glucose lowering actions, tolazamide produces a mild diuresis by enhancement of renal free water clearance.","Absorption":"Rapidly and well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01193"},{"ID":"DB00945"},{"ID":"DB01143"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00446"},{"ID":"DB00636"},{"ID":"DB00187"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB00812"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB00073"},{"ID":"DB00052"},{"ID":"DB00373"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00840","Name":"Hydroxypropyl cellulose","DrugType":"small molecule","HalfLife":"","Description":"Hydroxypropyl cellulose is an ether of cellulose where some of the hydroxyl groups of the cellulose have been hydroxypropylated forming -OCH2CH(OH)CH3 groups. Lacrisertis a formulation of hydroxypropyl cellulose that is used for artificial tears. It is used to treat syndromes characterized by insufficient tear production (keratoconjunctivitis sicca), recurrent corneal erosions, decreased corneal sensitivity, exposure and neuroparalytic keratitis, and as a lubricant for artificial eyes. As a food additive, hydroxypropyl cellulose is used as a thickener and as an emulsion stabilizer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used to relieve dryness and irritation caused by reduced tear flow that occurs in certain eye diseases (keratoconjunctivitis sicca), recurrent corneal erosions, decreased corneal sensitivity, exposure and neuroparalytic keratitis, and as a lubricant for artificial eyes.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=10200 mg/kg (oral, rat)","MechanismOfAction":"Hydroxypropyl cellulose is a derivative of cellulose that is soluble in both water and organic solvents. It is particularly good at trapping water and producing a film that serves as a barrier to water loss. Hydroxypropyl cellulose possesses good surface activity but does not gel as it forms open helical coils. In general Hydroxypropyl cellulose is a water-soluble thickener, emulsifier and film-former often used in tablet coating.","Pharmacodynamics":"Hydroxypropyl cellulose (cellulose, 2-hydroxypropyl ether) is a derivative of cellulose with both water solubility and organic solubility. Hydroxypropyl cellulose acts to stabilize and thicken the precorneal tear film and prolong the tear film breakup time which is usually accelerated in patients with dry eye states. Hydroxypropyl cellulose also acts to lubricate and protect the eye. Hydroxypropyl cellulose usually reduces the signs and symptoms resulting from moderate to severe dry eye syndromes, such as conjunctival hyperemia, corneal and conjunctival staining with rose bengal, exudation, itching, burning, foreign body sensation, smarting, photophobia, dryness and blurred or cloudy vision. Progressive visual deterioration which occurs in some patients may be retarded, halted, or sometimes reversed.","Absorption":"Studies conducted in rats fed 14 C-labeled hydroxypropyl cellulose demonstrated that when orally administered, hydroxypropyl cellulose is not absorbed from the gastrointestinal tract and is quantitatively excreted in the feces.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00841","Name":"Dobutamine","DrugType":"small molecule","HalfLife":"2 minutes","Description":"A beta-1 agonist catecholamine that has cardiac stimulant action without evoking vasoconstriction or tachycardia. It is proposed as a cardiotonic after myocardial infarction or open heart surgery.","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For inotropic support in the short- term treatment of patients with cardiac decompensation due to depressed contractility resulting either from organic heart disease or from cardiac surgical procedures","Toxicity":"","MechanismOfAction":"Dobutamine directly stimulates beta-1 receptors of the heart to increase myocardial contractility and stroke volume, resulting in increased cardiac output.","Pharmacodynamics":"Dobutamine is a direct-acting inotropic agent whose primary activity results from stimulation of the beta-adrenoceptors of the heart while producing comparatively mild chronotropic, hypertensive, arrhythmogenic, and vasodilative effects. Dobutamine acts primarily on beta-1 adrenergic receptors, with little effect on beta-2 or alpha receptors. It does not cause the release of endogenous norepinephrine, as does dopamine. Dobutamine is indicated when parenteral therapy is necessary for inotropic support in the short-term treatment of patients with cardiac decompensation due to depressed contractility resulting either from organic heart disease or from cardiac surgical procedures.","Absorption":"","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00494"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00206"}],"Salts":[{"ID":"DBSALT000711","Name":"Dobutamine hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00662","Drugs":["DB00841","DB01345","DB01373"]}]},{"ID":"DB00842","Name":"Oxazepam","DrugType":"small molecule","HalfLife":"Mean elimination half-life - 8.2 hours (range of 5.7 to 10.9 hours) ","Description":"Oxazepam is an intermediate-acting benzodiazepine used to treat alcohol withdrawal and anxiety disorders. Oxazepam is also the metabolite of other benzodiazpines. ","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the treatment of anxiety disorders and alcohol withdrawal. ","Toxicity":"Symptoms of overdose include confusion, drowsiness, and lethargy.","MechanismOfAction":"Similar to other benzodiazepines, oxazepam exerts its anxiolytic effects by potentiating the effect of gamma-aminobutyric acid (GABA) on GABA-A receptors through a cooperative mechanism of action. GABA receptors are ionotropic chloride-linked channel receptors that produce inhibitory postsynaptic potentials. When activated by GABA, the GABA receptor/chloride ionophore complex undergoes a conformational change that allows the passage of chloride ions through the channel. Benzodiazepines are believed to exert their effect by increasing the effect of GABA at its receptor. Benzodiazepine binding increases chloride conductance in the presence of GABA by increasing the frequency at which the channel opens. In contrast, barbiturates increase chloride conductance in the presence of GABA by prolonging the time in which the channel remains open. There are 18 subtypes of the GABA receptor subunits. The \u0026alpha;\u003csub\u003e2\u003c/sub\u003e subunit of the \u0026alpha;\u003csub\u003e2\u003c/sub\u003e\u0026beta;\u003csub\u003e3\u003c/sub\u003e\u0026gamma;\u003csub\u003e2\u003c/sub\u003e receptor complex is thought to mediate anxiolytic effects while the \u0026alpha;\u003csub\u003e1\u003c/sub\u003e subunit of the \u0026alpha;\u003csub\u003e1\u003c/sub\u003e\u0026beta;\u003csub\u003e2\u003c/sub\u003e\u0026gamma;\u003csub\u003e2\u003c/sub\u003e receptor complex is thought to mediate sedative, anticonvulsant and anterograde amnesia effects. ","Pharmacodynamics":"Oxazepam is believed to stimulate GABA receptors in the ascending reticular activating system. Since GABA is inhibitory, receptor stimulation increases inhibition and blocks both cortical and limbic arousal following stimulation of the brain stem reticular formation.","Absorption":"Well absorbed from the gastrointestinal tract following oral administration however is absorbed at a slower rate compared to other benzodiazepines like diazepam or flurazepam. Time to peak concentration = 2-4 hours. Onset of action is slow, \u003e 3 hours, following oral administration. ","Interactions":[{"ID":"DB00363"},{"ID":"DB01322"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00843","Name":"Donepezil","DrugType":"small molecule","HalfLife":"70 hours","Description":"Donepezil (Aricept), is a centrally acting reversible acetyl cholinesterase inhibitor. Its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. Donepezil is postulated to exert its therapeutic effect by enhancing cholinergic function. This is accomplished by increasing the concentration of acetylcholine through reversible inhibition of its hydrolysis by acetylcholinesterase. If this proposed mechanism of action is correct, donepezil's effect may lessen as the disease process advances and fewer cholinergic neurons remain functionally intact. Donepezil has been tested in other cognitive disorders including Lewy body dementia and Vascular dementia, but it is not currently approved for these indications. Donepezil has also been studied in patients with Mild Cognitive Impairment, schizophrenia, attention deficit disorder, post-coronary bypass cognitive impairment, cognitive impairment associated with multiple sclerosis, and Down syndrome.","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"For the palliative treatment of mild to moderate dementia of the Alzheimer's type.","Toxicity":"Symptoms of overdose include severe nausea, vomiting, salivation, sweating, bradycardia, hypotension, respiratory depression, collapse and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved.","MechanismOfAction":"Donepezil is a piperidine derivative that is a centerally active, reversible inhibitor of acetylcholinesterase. This drug is structurally unrelated to other anticholinesterase agents. Donepezil's proposed mechanism of action involves the reversible inhibition of cholinesterases (eg. acetylcholinesterase), which prevents the hydrolysis of acetycholine, and leads to an increased concentration of acetylcholine at cholinergic synapses. Evidence suggests that the anticholinesterase activity of donepezil is relatively specific for acetylcholinesterase in the brain.","Pharmacodynamics":"Donepezil is a centrally acting reversible acetyl cholinesterase inhibitor. Its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. An early pathophysiological feature of Alzheimer's disease that is associated with memory loss and cognitive deficits is a deficiency of acetylcholine as a result of selective loss of cholinergic neurons in the cerebral cortex, nucleus basalis, and hippocampus. Donepezil is postulated to exert its therapeutic effect by enhancing cholinergic function. This is accomplished by increasing the concentration of acetylcholine through reversible inhibition of its hydrolysis by acetylcholinesterase. If this proposed mechanism of action is correct, donepezil's effect may lessen as the disease progresses and fewer cholinergic neurons remain functionally intact. There is no evidence that donepezil alters the course of the underlying dementing process.","Absorption":"Donepezil is well absorbed with a relative oral bioavailability of 100% and reaches peak plasma concentrations in 3 to 4 hours.","Interactions":[{"ID":"DB01614"},{"ID":"DB01615"},{"ID":"DB01246"},{"ID":"DB01616"},{"ID":"DB00915"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00572"},{"ID":"DB00719"},{"ID":"DB00245"},{"ID":"DB00810"},{"ID":"DB00835"},{"ID":"DB00748"},{"ID":"DB01114"},{"ID":"DB00477"},{"ID":"DB01239"},{"ID":"DB00501"},{"ID":"DB00283"},{"ID":"DB00771"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB01176"},{"ID":"DB00924"},{"ID":"DB00434"},{"ID":"DB00496"},{"ID":"DB01151"},{"ID":"DB00405"},{"ID":"DB00804"},{"ID":"DB00985"},{"ID":"DB01075"},{"ID":"DB01081"},{"ID":"DB01146"},{"ID":"DB00280"},{"ID":"DB01142"},{"ID":"DB00366"},{"ID":"DB00392"},{"ID":"DB01148"},{"ID":"DB00875"},{"ID":"DB01437"},{"ID":"DB00986"},{"ID":"DB00557"},{"ID":"DB00424"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB01625"},{"ID":"DB00408"},{"ID":"DB00934"},{"ID":"DB00737"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00462"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB01618"},{"ID":"DB00540"},{"ID":"DB00334"},{"ID":"DB01173"},{"ID":"DB01062"},{"ID":"DB00850"},{"ID":"DB00454"},{"ID":"DB00780"},{"ID":"DB01619"},{"ID":"DB01100"},{"ID":"DB01621"},{"ID":"DB01035"},{"ID":"DB00433"},{"ID":"DB00387"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB00782"},{"ID":"DB01608"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00734"},{"ID":"DB00747"},{"ID":"DB01104"},{"ID":"DB01591"},{"ID":"DB01622"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00697"},{"ID":"DB01036"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00376"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00792"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000938","Name":"Donepezil hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00844","Name":"Nalbuphine","DrugType":"small molecule","HalfLife":"The plasma half-life of nalbuphine is 5 hours, and in clinical studies the duration of analgesic activity has been reported to range from 3 to 6 hours.","Description":"A narcotic used as a pain medication. It appears to be an agonist at kappa opioid receptors and an antagonist or partial agonist at mu opioid receptors. Nalbuphine is the only opioid analgesic that is not a controlled substance in the United States. ","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the relief of moderate to severe pain.","Toxicity":"Oral, acute LD50 is 1100 mg/kg in dog. Symptoms of overdose include primarily sleepiness and mild dysphoria.","MechanismOfAction":"The exact mechanism of action is unknown, but is believed to interact with an opiate receptor site in the CNS (probably in or associated with the limbic system). The opiate antagonistic effect may result from competitive inhibition at the opiate receptor, but may also be a result of other mechanisms. Nalbuphine is thought primarily to be a kappa agonist. It is also a partial mu antagonist analgesic, with some binding to the delta receptor and minimal agonist activity at the sigma receptor.","Pharmacodynamics":"Nalbuphine is a synthetic opioid agonist-antagonist analgesic of the phenanthrene series. Nalbuphine's analgesic potency is essentially equivalent to that of morphine on a milligram basis. The opioid antagonist activity of nalbuphine is one-fourth as potent as nalorphine and 10 times that of pentazocine. Nalbuphine by itself has potent opioid antagonist activity at doses equal to or lower than its analgesic dose. When administered following or concurrent with mu agonist opioid analgesics (e.g., morphine, oxymorphone, fentanyl), nalbuphine may partially reverse or block opioid-induced respiratory depression from the mu agonist analgesic. Nalbuphine may precipitate withdrawal in patients dependent on opioid drugs. Nalbuphine should be used with caution in patients who have been receiving mu opioid analgesics on a regular basis.","Absorption":"The mean absolute bioavailability was 81% and 83% for the 10 and 20 mg intramuscular doses, respectively, and 79% and 76% following 10 and 20 mg of subcutaneous nalbuphine.","Interactions":[{"ID":"DB06274"},{"ID":"DB00501"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000125","Name":"Nalbuphine hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00691","Drugs":["DB00368","DB00844","DB00988","DB01345","DB01373"]}]},{"ID":"DB00845","Name":"Clofazimine","DrugType":"small molecule","HalfLife":"10 days following a single dose, 70 days after long-term, high-dose therapy.","Description":"A fat-soluble riminophenazine dye used for the treatment of leprosy. It has been used investigationally in combination with other antimycobacterial drugs to treat Mycobacterium avium infections in AIDS patients. Clofazimine also has a marked anti-inflammatory effect and is given to control the leprosy reaction, erythema nodosum leprosum. (From AMA Drug Evaluations Annual, 1993, p1619)","Classification":{"Description":"This compound belongs to the phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.","DirectParent":"Phenazines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinoxalines"},"Indication":"For the treatment of lepromatous leprosy, including dapsone-resistant lepromatous leprosy and lepromatous leprosy complicated by erythema nodosum leprosum.","Toxicity":"Oral, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = 3.3 g/kg; Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = \u003e 4 g/kg. Severe abdominal symptoms have necessitated exploratory laparotomies in some patients on clofazimine therapy. Rare reports have included splenic infarction, bowel obstruction, and gastrointestinal bleeding. Deaths have been reported, following severe abdominal symptoms.","MechanismOfAction":"Appears to preferentially bind to mycobacterial DNA leading to disruption of the cell cycle and eventually kills the bacterium. It may also bind to bacterial potassium transporters, thereby inhibiting their function. Lysophospholipids have been found to mediate the activity of this drug.","Pharmacodynamics":"Clofazimine exerts a slow bactericidal effect on \u003ci\u003eMycobacterium leprae\u003c/i\u003e (Hansen's bacillus). Clofazimine inhibits mycobacterial growth and binds preferentially to mycobacterial DNA. Clofazimine also exerts antiinflammatory properties in controlling erythema nodosum leprosum reactions. Clofazimine is highly lipophilic and tends to be deposited predominantly in fatty tissue and in cells of the reticuloendothelial system. It is taken up by macrophages throughout the body. Measurement of the minimum inhibitory concentration (MIC) of clofazimine against leprosy bacilli in vitro is not yet feasible. In the mouse footpad system, the multiplication of M.leprae is inhibited by introducing 0.0001%- 0.001% clofazimine in the diet. Although bacterial killing may begin shortly after starting the drug, it cannot be measured in biopsy tissues taken from patients for mouse footpad studies until approximately 50 days after the start of therapy.","Absorption":"Absorption varies from 45 to 62% following oral administration in leprosy patients. Bioavailability is approximately 70%. Food increases bioavailability and rate of absorption.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00846","Name":"Flurandrenolide","DrugType":"small molecule","HalfLife":"","Description":"A corticosteroid used topically in the treatment of various skin disorders. It is usually employed as a cream or an ointment, and is also used as a polyethylene tape with an adhesive. (From Martindale, The Extra Pharmacopoeia, 30th ed, p733)","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses, particularly dry, scaling localized lesions","Toxicity":"Systemic absorption of topical corticosteroids has produced reversible hypothalamic-pituitary- adrenal (HPA) axis suppression, manifestations of Cushing's syndrome, hyperglycemia, and glucosuria in some patients","MechanismOfAction":"Flurandrenolide is a topical corticosteroid. It is normally applied to a plastic tape called Cordran. Cordran is primarily effective because of its anti-inflammatory, antipruritic, and vasoconstrictive actions. Flurandrenolide, which is slowly released from the Cordran tape, binds to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Specifically glucocorticoids induce lipocortin-1 (annexin-1) synthesis, which then binds to cell membranes preventing the phospholipase A2 from coming into contact with its substrate arachidonic acid. This leads to diminished eicosanoid production. Cyclooxygenase (both COX-1 and COX-2) expression is also suppressed, potentiating the effect. In another words, the two main products in inflammation Prostaglandins and Leukotrienes are inhibited by the action of Glucocorticoids. Glucocorticoids also stimulate the lipocortin-1 escaping to the extracellular space, where it binds to the leukocyte membrane receptors and inhibits various inflammatory events: epithelial adhesion, emigration, chemotaxis, phagocytosis, respiratory burst and the release of various inflammatory mediators (lysosomal enzymes, cytokines, tissue plasminogen activator, chemokines etc.) from neutrophils, macrophages and mastocytes. Additionally the immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Like other glucocorticoid agents Fluocinolone acetonide acts as a physiological antagonist to insulin by decreasing glycogenesis (formation of glycogen). It also promotes the breakdown of lipids (lipolysis), and proteins, leading to the mobilization of extrahepatic amino acids and ketone bodies. This leads to increased circulating glucose concentrations (in the blood). There is also decreased glycogen formation in the liver.\r\n\r\n","Pharmacodynamics":"Flurandrenolide is primarily effective because of its anti-inflammatory, antipruritic, and vasoconstrictive actions.","Absorption":"Once absorbed through the skin, topical corticosteroids are handled through pharmacokinetic pathways similar to those of systemically administered corticosteroids","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00847","Name":"Cysteamine","DrugType":"small molecule","HalfLife":"","Description":"Cysteamine is a radiation-protective agent that oxidizes in air to form cystamine. It can be given intravenously or orally to treat radiation sickness. The bitartrate and hydrochloride salt forms are indicated for the treatment of neuropathic cystinosis in patients 6 years old and older. [PubChem]. Cysteamine is marketed under several brand names such as Cystaran™, Procysbi, and Cystagon®.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Given intravenously or orally to treat radiation sickness. The bitartrate salts (Cystagon® and Procysbi) have been used for the oral treatment of nephropathic cystinosis and cystinurea. The hydrochloride salt (Cystaran™) is indicated for the treatment of corneal cystine crystal accumulation in cystinosis patients.\r\n","Toxicity":"Symptoms of overdose may include convulsions (seizures), increased thirst and unusual tiredness or weakness.","MechanismOfAction":"The free thiol cysteamine depletes cystinotic leukocytes and other cells of cystine, whose accumulation is considered the cause of organ damage in cystinosis. Cysteamine cleaves the disulfide bond with cystine to produce molecules that can escape the metabolic defect in cystinosis and cystinuria.","Pharmacodynamics":"People born without the ability to metabolize the amino acid cystine suffer from cystinosis, a rare inherited disorder characterized by the deposition and accumulation of cystine crystals throughout the body. These crystals cause considerable damage, particularly in the kidney and eye. Kidney failure can occur by the age of 10 in untreated patients. Cysteamine prevents the accumulation of cystine crystals and is prescribed to prevent further kidney and eye damage. Cysteamine helps to convert cystine into less harmful chemical forms that can be removed from cells.","Absorption":"Cystagon® reaches its maximum plasma concentration in about 1.4 hours.\r\n\r\n ","Interactions":null,"Salts":[{"ID":"DBSALT000032","Name":"Cysteamine Bitartrate"},{"ID":"DBSALT000033","Name":"Cysteamine Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00848","Name":"Levamisole","DrugType":"small molecule","HalfLife":"4.4-5.6 hours (biphasic)","Description":"An antihelminthic drug that has been tried experimentally in rheumatic disorders where it apparently restores the immune response by increasing macrophage chemotaxis and T-lymphocyte function. Paradoxically, this immune enhancement appears to be beneficial in rheumatoid arthritis where dermatitis, leukopenia, and thrombocytopenia, and nausea and vomiting have been reported as side effects. (From Smith and Reynard, Textbook of Pharmacology, 1991, p435-6). Levamisole was withdrawn from the US and Canadian markets in 2000 and 2003, respectively, due to the risk of serious side effects and the availability of more effective replacement medications. [Wikipedia]","Classification":{"Description":"This compound belongs to the imidazothiazoles. These are organic polycyclic compounds containing an imidazole ring fused to a thiazole ring.","DirectParent":"Imidazothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazothiazoles","SubClass":""},"Indication":"For adjuvant treatment in combination with fluorouracil after surgical resection in patients with Dukes' stage C colon cancer. Also used to treat malignant melanoma and head/neck cancer.\r\nLevamisole was originally used as an antihelminthic to treat worm infestations in both humans and animals.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 40 mg/kg (Pigs, subcutaneous); LD\u003csub\u003e50\u003c/sub\u003e = 180 mg/kg (rat, oral)","MechanismOfAction":"The mechanism of action of levamisole as an antiparasitic agent appears to be tied to its agnositic activity towards the L-subtype nicotinic acetylcholine receptors in nematode muscles. This agonistic action reduces the capacity of the males to control their reproductive muscles and limits their ability to copulate. The mechanism of action of Levamisole as an anticancer drug in combination with fluorouracil is unknown. The effects of levamisole on the immune system are complex. The drug appears to restore depressed immune function rather than to stimulate response to above-normal levels. Levamisole can stimulate formation of antibodies to various antigens, enhance T-cell responses by stimulating T-cell activation and proliferation, potentiate monocyte and macrophage functions including phagocytosis and chemotaxis, and increase neutrophil mobility, adherence, and chemotaxis.","Pharmacodynamics":"Levamisole is a synthetic imidazothiazole derivative that has been widely used in treatment of worm infestations in both humans and animals. As an anthelmintic, it probably works by targeting the nematode nicotinergic acetylcholine receptor. As an immunomodulator, it appears that Levamisole is an immunostimulant which has been shown to increase NK cells and activated T-cells in patients receiving this adjuvantly along with 5FU for Stage III colon cancer.","Absorption":"Levamisole is rapidly absorbed (2 hours) from the gastrointestinal tract.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000822","Name":"Levamisole hydrochloride"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00849","Name":"Methylphenobarbital","DrugType":"small molecule","HalfLife":"34 (range 11-67) hours","Description":"A barbiturate that is metabolized to phenobarbital. It has been used for similar purposes, especially in epilepsy, but there is no evidence mephobarbital offers any advantage over phenobarbital. [PubChem]","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the relief of anxiety, tension, and apprehension, also used as an anticonvulsant for the treatment of epilepsy.","Toxicity":"","MechanismOfAction":"Methylphenobarbital binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Methylphenobarbital, a barbiturate, is used in combination with acetaminophen or aspirin and caffeine for its sedative and relaxant effects in the treatment of tension headaches, migraines, and pain. Barbiturates act as nonselective depressants of the central nervous system (CNS), capable of producing all levels of CNS mood alteration from excitation to mild sedation, hypnosis, and deep coma. In sufficiently high therapeutic doses, barbiturates induce anesthesia.","Absorption":"Approximately 50% of an oral dose of mephobarbital is absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01223"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB00705"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00277"},{"ID":"DB00620"},{"ID":"DB00661"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00850","Name":"Perphenazine","DrugType":"small molecule","HalfLife":"8-12 hours, but ranges up to 20 hours.","Description":"An antipsychotic phenothiazine derivative with actions and uses similar to those of chlorpromazine. [PubChem]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For use in the management of the manifestations of psychotic disorders and for the control of severe nausea and vomiting in adults.","Toxicity":"Symptoms of overdose include stupor or coma, and children may have convulsive seizures. Signs of arousal may not occur for 48 hours. Oral LD\u003csub\u003e50\u003c/sub\u003e=318 mg/kg (rat); IPR LD\u003csub\u003e50\u003c/sub\u003e=64 mg/kg (mouse)","MechanismOfAction":"Binds to the dopamine D1 and dopamine D2 receptors and inhibits their activity. The mechanism of the anti-emetic effect is due predominantly to blockage of the dopamine D2 neurotransmitter receptors in the chemoreceptor trigger zone and vomiting centre. Perphenazine also binds the alpha andrenergic receptor. This receptor's action is mediated by association with G proteins that activate a phosphatidylinositol-calcium second messenger system.","Pharmacodynamics":"Perphenazine is a piperazinyl phenothiazine, acts on the central nervous system, and has a greater behavioral potency than other phenothiazine derivatives whose side chains do not contain a piperazine moiety. It is a member of a class of drugs called phenothiazines, which are dopamine D1/D2 receptor antagonists. Perphenazine is 10 to 15 times as potent as chlorpromazine; that means perphenazine is a highly potent antipsychotic. In equivalent doses it has approximately the same frequency and severity of early and late extrapypramidal side-effects compared to Haloperidol.","Absorption":"Absolute bioavailability is 40% following oral administration.","Interactions":[{"ID":"DB00182"},{"ID":"DB00289"},{"ID":"DB00865"},{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB00579"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00989"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000936","Name":"Perphenazine enanthate"},{"ID":"DBSALT000937","Name":"Perphenazine heptanoate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00851","Name":"Dacarbazine","DrugType":"small molecule","HalfLife":"5 hours","Description":"An antineoplastic agent. It has significant activity against melanomas. (from Martindale, The Extra Pharmacopoeia, 31st ed, p564). Dacarbazine with Oblimersen is in clinical trials for the treatment of malignant melanoma.","Classification":{"Description":"This compound belongs to the carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.","DirectParent":"Carbonylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"For the treatment of metastatic malignant melanoma. In addition, dacarbazine is also indicated for Hodgkin's disease as a secondary-line therapy when used in combination with other antineoplastic agents.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=350mg/kg (orally in mice)","MechanismOfAction":"The mechanism of action is not known, but appears to exert cytotoxic effects via its action as an alkylating agent. Other theories include DNA synthesis inhibition by its action as a purine analog, and interaction with SH groups. Dacarbazine is not cell cycle-phase specific.","Pharmacodynamics":"Dacarbazine is a synthetic analog of naturally occurring purine precursor 5-amino-1H-imidazole-4-carboxamide (AIC). After intravenous administration of dacarbazine, the volume of distribution exceeds total body water content suggesting localization in some body tissue, probably the liver. Its disappearance from the plasma is biphasic with initial half-life of 19 minutes and a terminal half-life of 5 hours. 1 In a patient with renal and hepatic dysfunctions, the half-lives were lengthened to 55 minutes and 7.2 hours. 1 The average cumulative excretion of unchanged DTIC in the urine is 40% of the injected dose in 6 hours. 1 DTIC is subject to renal tubular secretion rather than glomerular filtration. At therapeutic concentrations dacarbazine is not appreciably bound to human plasma protein.","Absorption":"Erratic, slow and incomplete","Interactions":[{"ID":"DB06769"},{"ID":"DB00730"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00852","Name":"Pseudoephedrine","DrugType":"small molecule","HalfLife":"9-16 hours","Description":"An alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used in the treatment of several disorders including asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment of nasal congestion, sinus congestion, Eustachian tube congestion, and vasomotor rhinitis, and as an adjunct to other agents in the optimum treatment of allergic rhinitis, croup, sinusitis, otitis media, and tracheobronchitis. Also used as first-line therapy of priapism.","Toxicity":"Common adverse reactions include nervousness, restlessness, and insomnia. Rare adverse reactions include difficult/painful urination, dizziness/lightheadedness, heart palpitations, headache, increased sweating, nausea/vomiting, trembling, troubled breathing, unusual paleness, and weakness.","MechanismOfAction":"Pseudoephedrine acts directly on both alpha- and, to a lesser degree, beta-adrenergic receptors. Through direct action on alpha-adrenergic receptors in the mucosa of the respiratory tract, pseudoephedrine produces vasoconstriction. Pseudoephedrine relaxes bronchial smooth muscle by stimulating beta2-adrenergic receptors. Like ephedrine, pseudoephedrine releasing norepinephrine from its storage sites, an indirect effect. This is its main and direct mechanism of action. The displaced noradrenaline is released into the neuronal synapse where it is free to activate the postsynaptic adrenergic receptors.","Pharmacodynamics":"Pseudoephedrine is a sympathomimetic agent, structurally similar to ephedrine, used to relieve nasal and sinus congestion and reduce air-travel-related otalgia in adults. The salts pseudoephedrine hydrochloride and pseudoephedrine sulfate are found in many over-the-counter preparations either as single-ingredient preparations, or more commonly in combination with antihistamines and/or paracetamol/ibuprofen. Unlike antihistamines, which modify the systemic histamine-mediated allergic response, pseudoephedrine only serves to relieve nasal congestion commonly associated with colds or allergies. The advantage of oral pseudoephedrine over topical nasal preparations, such as oxymetazoline, is that it does not cause rebound congestion (rhinitis medicamentosa).","Absorption":"Pseudoephedrine is readily and almost completely absorbed from the GI tract and there is no evidence of first-pass metabolism.","Interactions":[{"ID":"DB00386"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01200"},{"ID":"DB01242"},{"ID":"DB01089"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01142"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB06704"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB01626"},{"ID":"DB00780"},{"ID":"DB00344"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00752"},{"ID":"DB00726"},{"ID":"DB00285"}],"Salts":[{"ID":"DBSALT000149","Name":"Pseudoephedrine hydrochloride"},{"ID":"DBSALT000150","Name":"Pseudoephedrine sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00853","Name":"Temozolomide","DrugType":"small molecule","HalfLife":"Approximately 1.8 hours.","Description":"Temozolomide (Temodar and Temodal) is an oral alkylating agent used for the treatment of refractory anaplastic astrocytoma -- a type of cancerous brain tumor. Temozolomide is not active until it is converted at physiologic pH to the active form, 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide (MTIC). ","Classification":{"Description":"This compound belongs to the imidazotetrazines. These are organic polycyclic compounds containing an imidazole ring fused to a tetrazine ring.","DirectParent":"Imidazotetrazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrazines","SubClass":"Imidazotetrazines"},"Indication":"For the treatment of adult patients diagnosed with anaplastic astrocytoma whose disease has progressed after therapy with nitrosourea and procarbazine, as well as concomitantly with radiation therapy for treatment of newly diagnosed glioblastoma multiforme. Also used as maintenance therapy for glioblastoma multiforme.","Toxicity":"","MechanismOfAction":"Temozolomide is not active until it is converted at physiologic pH to MTIC. It is suggested that MTIC then alkylates DNA at the N7 position of guanine, O3 position of adenosine, and O6 position of guanosine, with the most common site being the N7 position. This methylation of guanine residues lead to single and double-strand DNA breaks and subsequent apoptotic cell death. It is suggested that the N7-methylguanine plays a critical role in the antitumor activity of the drug, as there is a correlation between the sensitivity of tumor cell lines to temozolomide and the activity of O6-alkylguanine alkyltransferase, which is the DNA repair protein that specifically removes alkyl groups at the O6 position of guanine. Cells lines that have lower levels of AGT are more sensitive to the cytotoxicity of temozolomide. It is also suggested that cytotoxic mechanism of temozolomide is related to the failure of the DNA MMR system to find a complementary base for methylated guanine. The DNA MMR system is involved in the formation of a number of proteins that remove methylated guanine. Evidence shows that when this repair process is targeted to the DNA strand opposite the O6-methylguanine, its inability to find the correct target leads to long-lived nicks in the DNA. The accumulation of these nicks lead to the inhibition of replication in the daughter cells, thereby blocking the cell cycle at the G\u003csub\u003e2\u003c/sub\u003e-M boundary.","Pharmacodynamics":"Temozolomide is an imidazotetrazine deritave and an antineoplastic agent. It is a prodrug that has little to no pharmacological activity until it is hydrolyzed in vivo to 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide (MTIC). After administration, temozolomide undergoes rapid, nonenzymatic hydrolysis at physiological pH to MTIC, which is the active form of the drug. MTIC is generated through the effect of water at the highly electropositive C4 position of temozolomide, causing the ring of temozolomide to open, release carbon dioxide, and generate MTIC.","Absorption":"Rapid and complete absorption in the gastrointestinal tract","Interactions":[{"ID":"DB00108"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00854","Name":"Levorphanol","DrugType":"small molecule","HalfLife":"11-16 hours","Description":"A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the management of moderate to severe pain or as a preoperative medication where an opioid analgesic is appropriate","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=150 mg/kg (orally in rats). Signs of overdose include nausea, emesis, dizziness, respiratory depression, hypotension, urinary retention, cardiac arrhythmias, allergic reactions, skin rash, and uticaria.","MechanismOfAction":"Like other mu-agonist opioids it is believed to act at receptors in the periventricular and periaqueductal gray matter in both the brain and spinal cord to alter the transmission and perception of pain.","Pharmacodynamics":"Levorphanol is a potent synthetic opioid analgesic indicated for the management of moderate to severe pain or as a preoperative medication where an opioid analgesic is appropriate. Levorphanol is similar to morphine in its actions, however it is up to 8 times more potent than morphine. Levorphanol produces a degree of respiratory depression similar to that produced by morphine at equianalgesic doses, and like many mu-opioid drugs, levorphanol produces euphoria or has a positive effect on mood in many individuals.","Absorption":"Levorphanol is well absorbed after PO administration with peak plasma concentrations occurring approximately 1 hour after dosing.","Interactions":[{"ID":"DB06274"},{"ID":"DB06210"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000935","Name":"Levorphanol tartrate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00673","Drugs":["DB00368","DB00854","DB00988","DB01345","DB01373"]}]},{"ID":"DB00855","Name":"Aminolevulinic acid","DrugType":"small molecule","HalfLife":"Mean half-life is 0.70 \u0026plusmn; 0.18 h after the oral dose and 0.83 \u0026plusmn; 0.05 h after the intravenous dose.","Description":"A compound produced from succinyl-CoA and glycine as an intermediate in heme synthesis. It is used as a photochemotherapy for actinic keratosis. [PubChem]","Classification":{"Description":"This compound belongs to the delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.","DirectParent":"Delta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Aminolevulinic acid plus blue light illumination using a blue light photodynamic therapy illuminator is indicated for the treatment of minimally to moderately thick actinic keratoses of the face or scalp.","Toxicity":"Solution overdose have not been reported.","MechanismOfAction":"According to the presumed mechanism of action, photosensitization following application of aminolevulinic acid (ALA) topical solution occurs through the metabolic conversion of ALA to protoporphyrin IX (PpIX), which accumulates in the skin to which aminolevulinic acid has been applied. When exposed to light of appropriate wavelength and energy, the accumulated PpIX produces a photodynamic reaction, a cytotoxic process dependent upon the simultaneous presence of light and oxygen. The absorption of light results in an excited state of the porphyrin molecule, and subsequent spin transfer from PpIX to molecular oxygen generates singlet oxygen, which can further react to form superoxide and hydroxyl radicals. Photosensitization of actinic (solar) keratosis lesions using aminolevulinic acid, plus illumination with the BLU-UTM Blue Light Photodynamic Therapy Illuminator (BLU-U), is the basis for aminolevulinic acid photodynamic therapy (PDT).","Pharmacodynamics":"The metabolism of aminolevulinic acid (ALA) is the first step in the biochemical pathway resulting in heme synthesis. Aminolevulinic acid is not a photosensitizer, but rather a metabolic precursor of protoporphyrin IX (PpIX), which is a photosensitizer. The synthesis of ALA is normally tightly controlled by feedback inhibition of the enzyme, ALA synthetase, presumably by intracellular heme levels. ALA, when provided to the cell, bypasses this control point and results in the accumulation of PpIX, which is converted into heme by ferrochelatase through the addition of iron to the PpIX nucleus.","Absorption":"Oral bioavailability is 50-60%.","Interactions":null,"Salts":[{"ID":"DBSALT000934","Name":"5-Aminolevulinate hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00856","Name":"Chlorphenesin","DrugType":"small molecule","HalfLife":"2.3-5 hours","Description":"A centrally acting muscle relaxant. Its mode of action is unknown. Chlorphenesin is not available in the United States.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Used, along with rest and physical therapy, to treat injuries and other painful muscular conditions. Investigated for use in trigeminal neuralgia (tic douloureux), a neuropathic disorder characterized by severe facial pain. Was investigated as a modulator of histamine release.","Toxicity":"Symptoms of a chlorphenesin overdose include drowsiness and nausea.","MechanismOfAction":"The mechanism of action of chlorphenesin is not well defined, and its effects are measured mainly by subjective responses. It is known that chlorphenesin acts in the central nervous system (CNS) rather than directly on skeletal muscle.","Pharmacodynamics":"Chlorphenesin is a muscle relaxant. It blocks nerve impulses (or pain sensations) that are sent to the brain. ","Absorption":"Rapid and complete.","Interactions":[{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00857","Name":"Terbinafine","DrugType":"small molecule","HalfLife":"36 hours","Description":"Terbinafine hydrochloride (Lamisil) is a synthetic allylamine antifungal. It is highly lipophilic in nature and tends to accumulate in skin, nails, and fatty tissues. Like other allylamines, terbinafine inhibits ergosterol synthesis by inhibiting the fungal squalene monooxygenase (squalene 2,3-epoxidase), an enzyme that is part of the fungal cell wall synthesis pathway.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For the treatment of dermatophyte infections of the toenail or fingernail caused by susceptible fungi. Also for the treatment of tinea capitis (scalp ringworm) and tinea corporis (body ringworm) or tinea cruris (jock itch).","Toxicity":"","MechanismOfAction":"Terbinafine is hypothesized to act by inhibiting squalene monooxygenase, thus blocking the biosynthesis of ergosterol, an essential component of fungal cell membranes. This inhibition also results in an accumulation of squalene, which is a substrate catalyzed to 2,3-oxydo squalene by squalene monooxygenase. The resultant high concentration of squalene and decreased amount of ergosterol are both thought to contribute to terbinafine's antifungal activity.","Pharmacodynamics":"Terbinafine is an allylamine antifungal agent and acts by inhibiting squalene epoxidase, thus blocking the biosynthesis of ergosterol, an essential component of fungal cell membranes. \u003ci\u003eIn vitro\u003c/i\u003e, mammalian squalene monooxygenase (squalene 2,3-epoxidase) is only inhibited at higher (4000 fold) concentrations than is needed for inhibition of the dermatophyte enzyme. Depending on the concentration of the drug and the fungal species test \u003ci\u003ein vitro\u003c/i\u003e, Terbinafine may be fungicidal. However, the clinical significance of \u003ci\u003ein vitro\u003c/i\u003e data is unknown.","Absorption":"Readily absorbed from gastrointestinal tract.","Interactions":[{"ID":"DB01223"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01238"},{"ID":"DB00289"},{"ID":"DB00201"},{"ID":"DB01197"},{"ID":"DB01136"},{"ID":"DB00608"},{"ID":"DB00477"},{"ID":"DB01242"},{"ID":"DB00318"},{"ID":"DB00091"},{"ID":"DB01151"},{"ID":"DB00514"},{"ID":"DB01142"},{"ID":"DB00997"},{"ID":"DB05331"},{"ID":"DB00476"},{"ID":"DB00651"},{"ID":"DB01195"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB00502"},{"ID":"DB00458"},{"ID":"DB00281"},{"ID":"DB01206"},{"ID":"DB00934"},{"ID":"DB01577"},{"ID":"DB00264"},{"ID":"DB00379"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB01149"},{"ID":"DB00540"},{"ID":"DB01303"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB01621"},{"ID":"DB01035"},{"ID":"DB01069"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB00344"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00734"},{"ID":"DB01104"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB04844"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB00373"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000470","Name":"Terbinafine Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00858","Name":"Drostanolone","DrugType":"small molecule","HalfLife":"","Description":"Drostanolone (also known as dromostanolone) is a potent synthetic androgenic anabolic steroid similar to testosterone. Drostanolone is indicated in postmenopausal women with recurrent breast cancer, in a combined hormone therapy.","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"For use in females, for palliation of androgenresponsive recurrent mammary cancer in women who are more than one year but less than five years postmenopausal.","Toxicity":"Side effects include virilization (masculine traits in women), acne, fluid retention, and hypercalcemia.","MechanismOfAction":"Dromostanolone is a synthetic androgenic anabolic steroid and is approximately 5 times as potent as natural methyltestosterone. Like testosterone and other androgenic hormones, dromostanolone binds to the androgen receptor. This causes downstream genetic transcriptional changes. This ultimately causes retention of nitrogen, potassium, and phosphorus; increases protein anabolism; and decreases amino acid catabolism. The antitumour activity of dromostanolone appears related to reduction or competitive inhibition of prolactin receptors or estrogen receptors or production.","Pharmacodynamics":"Dromostanolone is a synthetic androgen, or male hormone, similar to testosterone. Dromostanolone works by attaching itself to androgen receptors; this causes it to interact with the parts of the cell involved in the making of proteins. It may cause an increase in the synthesis of some proteins or a decrease in the synthesis of others. These proteins have a variety of effects, including blocking the growth of some types of breast cancer cells, stimulating cells that cause male sexual characteristics, and stimulating the production of red blood cells.","Absorption":"Well absorbed following parenteral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00859","Name":"Penicillamine","DrugType":"small molecule","HalfLife":"1 hour","Description":"3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson\u0026#39;s disease. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For treatment of Wilson's disease, cystinuria and active rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"Penicillamine is a chelating agent recommended for the removal of excess copper in patients with Wilson's disease. From in vitro studies which indicate that one atom of copper combines with two molecules of penicillamine. Penicillamine also reduces excess cystine excretion in cystinuria. This is done, at least in part, by disulfide interchange between penicillamine and cystine, resulting in formation of penicillamine-cysteine disulfide, a substance that is much more soluble than cystine and is excreted readily. Penicillamine interferes with the formation of cross-links between tropocollagen molecules and cleaves them when newly formed. The mechanism of action of penicillamine in rheumatoid arthritis is unknown although it appears to suppress disease activity. Unlike cytotoxic immunosuppressants, penicillamine markedly lowers IgM rheumatoid factor but produces no significant depression in absolute levels of serum immunoglobulins. Also unlike cytotoxic immunosuppressants which act on both, penicillamine in vitro depresses T-cell activity but not B-cell activity.","Pharmacodynamics":"Penicillamine is a chelating agent used in the treatment of Wilson's disease. It is also used to reduce cystine excretion in cystinuria and to treat patients with severe, active rheumatoid arthritis unresponsive to conventional therapy. Penicillamine is used as a form of immunosuppression to treat rheumatoid arthritis. It works by reducing numbers of T-lymphocytes, inhibiting macrophage function, decreasing IL-1, decreasing rheumatoid factor, and preventing collagen from cross-linking. Its use in Wilson's disease, a rare genetic disorder of copper metabolism, relies on its binding to accumulated copper and elimination through urine.","Absorption":"rapidly but incompletely","Interactions":[{"ID":"DB00390"},{"ID":"DB00893"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00860","Name":"Prednisolone","DrugType":"small molecule","HalfLife":"2-3 hours","Description":"A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the treatment of primary or secondary adrenocortical insufficiency, such as congenital adrenal hyperplasia, thyroiditis. Also used to treat psoriatic arthritis, rheumatoid arthritis, ankylosing spondylitis, bursitis, acute gouty arthritis and epicondylitis. Also indicated for treatment of systemic lupus erythematosus, pemphigus and acute rhematic carditis. Can be used in the treatment of leukemias, lymphomas, thrombocytopenia purpura and autoimmune hemolytic anemia. Can be used to treat celiac disease, insulin resistance, ulcerative colitis and liver disorders.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=500 mg/kg (oral, rat), short-term side effects include high blood glucose levels and fluid retention. Long term side effects include Cushing's syndrome, weight gain, osteoporosis, glaucoma, type II diabetes and adrenal suppression.","MechanismOfAction":"Glucocorticoids such as Prednisolone can inhibit leukocyte infiltration at the site of inflammation, interfere with mediators of inflammatory response, and suppress humoral immune responses. The antiinflammatory actions of glucocorticoids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Prednisolone reduces inflammatory reaction by limiting the capillary dilatation and permeability of the vascular structures. These compounds restrict the accumulation of polymorphonuclear leukocytes and macrophages and reduce the release of vasoactive kinins. Recent research suggests that corticosteroids may inhibit the release of arachidonic acid from phospholipids, thereby reducing the formation of prostaglandins. Prednisolone is a glucocorticoid receptor agonist. On binding, the corticoreceptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing an increase or decrease in expression of specific target genes, including suppression of IL2 (interleukin 2) expression.","Pharmacodynamics":"Prednisolone is a synthetic glucocorticoid used as antiinflammatory or immunosuppressive agent. Prednisolone is indicated in the treatment of various conditions, including congenital adrenal hyperplasia, psoriatic arthritis, systemic lupus erythematosus, bullous dermatitis herpetiformis, seasonal or perennial allergic rhinitis, allergic corneal marginal ulcers, symptomatic sarcoidosis, idiopathic thrombocytopenic purpura in adults, leukemias and lymphomas in adults, and ulcerative colitis. Glucocorticoids are adrenocortical steroids and cause profound and varied metabolic effects. In addition, they modify the body's immune responses to diverse stimuli.","Absorption":"Readily absorbed by gastrointestinal tract, peak plasma concentration is reached 1-2 hours after administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB01122"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB01294"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00269"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00266"},{"ID":"DB00255"},{"ID":"DB01341"},{"ID":"DB01010"},{"ID":"DB00783"},{"ID":"DB04573"},{"ID":"DB00655"},{"ID":"DB04574"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01397"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00211"},{"ID":"DB01400"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB04575"},{"ID":"DB01346"},{"ID":"DB01045"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00418"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00072"},{"ID":"DB01401"},{"ID":"DB01339"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000785","Name":"Predisolone Sodium Phosphate"},{"ID":"DBSALT000254","Name":"Prednisolone Acetate"},{"ID":"DBSALT000786","Name":"Prednisolone Tebutate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00632","Drugs":["DB00860"]},{"ID":"SMP00441","Drugs":["DB00860"]},{"ID":"SMP00631","Drugs":["DB00635","DB00860"]},{"ID":"SMP00440","Drugs":["DB00635","DB00860"]}]},{"ID":"DB00861","Name":"Diflunisal","DrugType":"small molecule","HalfLife":"8 to 12 hours","Description":"Diflunisal, a salicylate derivative, is a nonsteroidal anti-inflammatory agent (NSAIA) with pharmacologic actions similar to other prototypical NSAIAs. Diflunisal possesses anti-inflammatory, analgesic and antipyretic activity. Though its mechanism of action has not been clearly established, most of its actions appear to be associated with inhibition of prostaglandin synthesis via the arachidonic acid pathway. Diflunisal is used to relieve pain accompanied with inflammation and in the symptomatic treatment of rheumatoid arthritis and osteoarthritis.","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"For symptomatic treatment of mild to moderate pain accompanied by inflammation (e.g. musculoskeletal trauma, post-dental extraction, post-episiotomy), osteoarthritis, and rheumatoid arthritis.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat, mouse, and rabbit is 392 mg/kg, 439 mg/kg, and 603 mg/kg, respectively. Symptoms of overdose include drowsiness, nausea, vomiting, diarrhea, hyperventilation, tachycardia, sweating, tinnitus, disorientation, stupor, and coma. The lowest dose without the presence of other medicines which caused death was 15 grams.\r\n\u003cp\u003eSelective COX-2 inhibitors have been associated with increased risk of serious cardiovascular events (e.g. myocardial infarction, stroke) in some patients. Current data is insufficient to assess the cardiovascular risk of diflunisal. Short-term use does not appear to be associated with increased cardiovascular risk (except when used immediately following coronary artery bypass graft (CABG) surgery). Risk of GI toxicity including bleeding, ulceration and perforation. Risk of direct renal injury, including renal papillary necrosis. Severe hepatic reactions, including cholestasis and/or jaundice, have been reported. May cause rash or hypersensitivity syndrome.\u003c/p\u003e","MechanismOfAction":"The precise mechanism of the analgesic and anti-inflammatory actions of diflunisal is not known. Diflunisal is a prostaglandin synthetase inhibitor. In animals, prostaglandins sensitize afferent nerves and potentiate the action of bradykinin in inducing pain. Since prostaglandins are known to be among the mediators of pain and inflammation, the mode of action of diflunisal may be due to a decrease of prostaglandins in peripheral tissues.","Pharmacodynamics":"Diflunisal is a nonsteroidal drug with analgesic, anti-inflammatory and antipyretic properties. It is a peripherally-acting non-narcotic analgesic drug. Habituation, tolerance and addiction have not been reported. Diflunisal is a difluorophenyl derivative of salicylic acid. Chemically, diflunisal differs from aspirin (acetylsalicylic acid) in two respects. The first of these two is the presence of a difluorophenyl substituent at carbon 1. The second difference is the removal of the 0-acetyl group from the carbon 4 position. Diflunisal is not metabolized to salicylic acid, and the fluorine atoms are not displaced from the difluorophenyl ring structure.","Absorption":"Rapidly and completely absorbed following oral administration, with a bioavailability of 80-90%. Peak plasma concentrations are achieved 2 - 3 hours following oral administration. ","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB01381"},{"ID":"DB00328"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB01032"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00289","Drugs":["DB00142","DB00143","DB00861","DB01373","DB01593","DB04557"]}]},{"ID":"DB00862","Name":"Vardenafil","DrugType":"small molecule","HalfLife":"4-5 hours","Description":"Vardenafil (Levitra) is an oral therapy for the treatment of erectile dysfunction. It is a selective inhibitor of cyclic guanosine monophosphate (cGMP)-specific phosphodiesterase type 5 (PDE5). Penile erection is a hemodynamic process initiated by the relaxation of smooth muscle in the corpus cavernosum and its associated arterioles. During sexual stimulation, nitric oxide is released from nerve endings and endothelial cells in the corpus cavernosum. Nitric oxide activates the enzyme guanylate cyclase resulting in increased synthesis of cyclic guanosine monophosphate (cGMP) in the smooth muscle cells of the corpus cavernosum. The cGMP in turn triggers smooth muscle relaxation, allowing increased blood flow into the penis, resulting in erection. The tissue concentration of cGMP is regulated by both the rates of synthesis and degradation via phosphodiesterases (PDEs). The most abundant PDE in the human corpus cavernosum is the cGMPspecific phosphodiesterase type 5 (PDE5); therefore, the inhibition of PDE5 enhances erectile function by increasing the amount of cGMP.","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Used for the treatment of erectile dysfunction","Toxicity":"Symptoms of overdose include vision changes and back and muscle pain.","MechanismOfAction":"Vardenafil inhibits the cGMP specific phosphodiesterase type 5 (PDE5) which is responsible for degradation of cGMP in the corpus cavernosum located around the penis. Penile erection during sexual stimulation is caused by increased penile blood flow resulting from the relaxation of penile arteries and corpus cavernosal smooth muscle. This response is mediated by the release of nitric oxide (NO) from nerve terminals and endothelial cells, which stimulates the synthesis of cGMP in smooth muscle cells. Cyclic GMP causes smooth muscle relaxation and increased blood flow into the corpus cavernosum. The inhibition of phosphodiesterase type 5 (PDE5) by vardenafil enhances erectile function by increasing the amount of cGMP.","Pharmacodynamics":"Vardenafil is used to treat male erectile dysfunction (impotence) and pulmonary arterial hypertension (PAH). Part of the physiological process of erection involves the release of nitric oxide (NO) in the corpus cavernosum. This then activates the enzyme guanylate cyclase which results in increased levels of cyclic guanosine monophosphate (cGMP), leading to smooth muscle relaxation in the corpus cavernosum, resulting in increased inflow of blood and an erection. Vardenafil is a potent and selective inhibitor of cGMP specific phosphodiesterase type 5 (PDE5) which is responsible for degradation of cGMP in the corpus cavernosum. This means that, with vardenafil on board, normal sexual stimulation leads to increased levels of cGMP in the corpus cavernosum which leads to better erections. Without sexual stimulation and no activation of the NO/cGMP system, vardenafil should not cause an erection.","Absorption":"Vardenafil is rapidly absorbed with absolute bioavailability of approximately 15%.","Interactions":[{"ID":"DB00346"},{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB00590"},{"ID":"DB00199"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB01110"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB00727"},{"ID":"DB06154"},{"ID":"DB00925"},{"ID":"DB00692"},{"ID":"DB01263"},{"ID":"DB00457"},{"ID":"DB01035"},{"ID":"DB00908"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB06207"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB01162"},{"ID":"DB00932"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000933","Name":"Vardenafil hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00863","Name":"Ranitidine","DrugType":"small molecule","HalfLife":"2.8-3.1 hours","Description":"A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers. [PubChem]","Classification":{"Description":"This compound belongs to the furans. These are compounds containing a furan ring, which is a five-member aromatic ring with one oxygen atom, four carbon atoms.","DirectParent":"Furans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":""},"Indication":"Used in the treatment of peptic ulcer disease (PUD), dyspepsia, stress ulcer prophylaxis, and gastroesophageal reflux disease (GERD).","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=77mg/kg (orally in mice). Symptoms of overdose include muscular tremors, vomiting, and rapid respiration.","MechanismOfAction":"The H2 antagonists are competitive inhibitors of histamine at the parietal cell H2 receptor. They suppress the normal secretion of acid by parietal cells and the meal-stimulated secretion of acid. They accomplish this by two mechanisms: histamine released by ECL cells in the stomach is blocked from binding on parietal cell H2 receptors which stimulate acid secretion, and other substances that promote acid secretion (such as gastrin and acetylcholine) have a reduced effect on parietal cells when the H2 receptors are blocked.","Pharmacodynamics":"Ranitidine is a histamine H2-receptor antagonist similar to cimetidine and famotidine. An H2-receptor antagonist, often shortened to H2 antagonist, is a drug used to block the action of histamine on parietal cells in the stomach, decreasing acid production by these cells. These drugs are used in the treatment of dyspepsia, however their use has waned since the advent of the more effective proton pump inhibitors. Like the H1-antihistamines, the H2 antagonists are inverse agonists rather than true receptor antagonists.","Absorption":"Approximately 50% bioavailability orally.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB01072"},{"ID":"DB01066"},{"ID":"DB08912"},{"ID":"DB01254"},{"ID":"DB00266"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01035"},{"ID":"DB08864"},{"ID":"DB00797"},{"ID":"DB08828"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000487","Name":"Ranitidine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00864","Name":"Tacrolimus","DrugType":"small molecule","HalfLife":"The elimination half life in adult healthy volunteers, kidney transplant patients, liver transplants patients, and heart transplant patients are approximately 35, 19, 12, 24 hours, respectively. The elimination half life in pediatric liver transplant patients was 11.5±3.8 hours, in pediatric kidney transplant patients was 10.2±5.0 (range 3.4-25) hours. ","Description":"Tacrolimus (also FK-506 or Fujimycin) is an immunosuppressive drug whose main use is after organ transplant to reduce the activity of the patient's immune system and so the risk of organ rejection. It is also used in a topical preparation in the treatment of severe atopic dermatitis, severe refractory uveitis after bone marrow transplants, and the skin condition vitiligo. It was discovered in 1984 from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis. Tacrolimus is chemically known as a macrolide. It reduces peptidyl-prolyl isomerase activity by binding to the immunophilin FKBP-12 (FK506 binding protein) creating a new complex. This FKBP12-FK506 complex interacts with and inhibits calcineurin thus inhibiting both T-lymphocyte signal transduction and IL-2 transcription.","Classification":{"Description":"This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.","DirectParent":"Macrolide Lactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolide Lactams","SubClass":""},"Indication":"For use after allogenic organ transplant to reduce the activity of the patient's immune system and so the risk of organ rejection. It was first approved by the FDA in 1994 for use in liver transplantation, this has been extended to include kidney, heart, small bowel, pancreas, lung, trachea, skin, cornea, and limb transplants. It has also been used in a topical preparation in the treatment of severe atopic dermatitis.","Toxicity":"Side effects can be severe and include blurred vision, liver and kidney problems (it is nephrotoxic), seizures, tremors, hypertension, hypomagnesemia, diabetes mellitus, hyperkalemia, itching, insomnia, confusion. LD\u003csub\u003e50\u003c/sub\u003e=134-194 mg/kg (rat).","MechanismOfAction":"The mechanism of action of tacrolimus in atopic dermatitis is not known. While the following have been observed, the clinical significance of these observations in atopic dermatitis is not known. It has been demonstrated that tacrolimus inhibits T-lymphocyte activation by first binding to an intracellular protein, FKBP-12. A complex of tacrolimus-FKBP-12, calcium, calmodulin, and calcineurin is then formed and the phosphatase activity of calcineurin is inhibited. This prevents the dephosphorylation and translocation of nuclear factor of activated T-cells (NF-AT), a nuclear component thought to initiate gene transcription for the formation of lymphokines. Tacrolimus also inhibits the transcription for genes which encode IL-3, IL-4, IL-5, GM-CSF, and TNF-, all of which are involved in the early stages of T-cell activation. Additionally, tacrolimus has been shown to inhibit the release of pre-formed mediators from skin mast cells and basophils, and to downregulate the expression of FceRI on Langerhans cells.","Pharmacodynamics":"Tacrolimus is a macrolide antibiotic. It acts by reducing peptidyl-prolyl isomerase activity by binding to the immunophilin FKBP-12 (FK506 binding protein) creating a new complex. This inhibits both T-lymphocyte signal transduction and IL-2 transcription. Although this activity is similar to cyclosporine studies have shown that the incidence of acute rejection is reduced by tacrolimus use over cyclosporine. Tacrolimus has also been shown to be effective in the topical treatment of eczema, particularly atopic eczema. It suppresses inflammation in a similar way to steroids, but is not as powerful. An important dermatological advantage of tacrolimus is that it can be used directly on the face; topical steroids cannot be used on the face, as they thin the skin dramatically there. On other parts of the body, topical steroid are generally a better treatment.","Absorption":"Absorption of tacrolimus from the gastrointestinal tract after oral administration is incomplete and variable. The absolute bioavailability in adult kidney transplant patients is 17±10%; in adults liver transplant patients is 22±6%; in healthy subjects is 18±5%. The absolute bioavailability in pediatric liver transplant patients was 31±24%. Tacrolimus maximum blood concentrations (Cmax) and area under the curve (AUC) appeared to increase in a dose-proportional fashion in 18 fasted healthy volunteers receiving a single oral dose of 3, 7, and 10 mg. When given without food, the rate and extent of absorption were the greatest. The time of the meal also affected bioavailability. When given immediately after a meal, mean Cmax was reduced 71%, and mean AUC was reduced 39%, relative to the fasted condition. When administered 1.5 hours following the meal, mean Cmax was reduced 63%, and mean AUC was reduced 39%, relative to the fasted condition.","Interactions":[{"ID":"DB00106"},{"ID":"DB01281"},{"ID":"DB05773"},{"ID":"DB00479"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00681"},{"ID":"DB00701"},{"ID":"DB00098"},{"ID":"DB00714"},{"ID":"DB04626"},{"ID":"DB01169"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB06681"},{"ID":"DB08879"},{"ID":"DB00290"},{"ID":"DB08873"},{"ID":"DB08870"},{"ID":"DB01200"},{"ID":"DB00564"},{"ID":"DB00958"},{"ID":"DB00262"},{"ID":"DB00520"},{"ID":"DB00291"},{"ID":"DB00446"},{"ID":"DB00477"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00515"},{"ID":"DB00242"},{"ID":"DB01211"},{"ID":"DB00631"},{"ID":"DB01242"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB08865"},{"ID":"DB00091"},{"ID":"DB01406"},{"ID":"DB01264"},{"ID":"DB01254"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00757"},{"ID":"DB01184"},{"ID":"DB01142"},{"ID":"DB04855"},{"ID":"DB00450"},{"ID":"DB00199"},{"ID":"DB00005"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB01319"},{"ID":"DB00529"},{"ID":"DB01320"},{"ID":"DB01044"},{"ID":"DB00056"},{"ID":"DB00798"},{"ID":"DB05259"},{"ID":"DB06674"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB04865"},{"ID":"DB00078"},{"ID":"DB00308"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00224"},{"ID":"DB00065"},{"ID":"DB00951"},{"ID":"DB00270"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB01601"},{"ID":"DB00408"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00358"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB00959"},{"ID":"DB01233"},{"ID":"DB00916"},{"ID":"DB01388"},{"ID":"DB01110"},{"ID":"DB00218"},{"ID":"DB00688"},{"ID":"DB00108"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00994"},{"ID":"DB00955"},{"ID":"DB00622"},{"ID":"DB01115"},{"ID":"DB04868"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB08935"},{"ID":"DB00104"},{"ID":"DB00043"},{"ID":"DB00338"},{"ID":"DB01229"},{"ID":"DB00059"},{"ID":"DB00738"},{"ID":"DB00556"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB01263"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB06372"},{"ID":"DB00734"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB06207"},{"ID":"DB00877"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB01323"},{"ID":"DB01082"},{"ID":"DB01268"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB08880"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB00684"},{"ID":"DB08895"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00072"},{"ID":"DB00726"},{"ID":"DB01361"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000167","Name":"Tacrolimus Hydrate "}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00865","Name":"Benzphetamine","DrugType":"small molecule","HalfLife":"16 to 31 hours","Description":"A sympathomimetic agent with properties similar to dextroamphetamine. It is used in the treatment of obesity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1222)","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the management of exogenous obesity as a short term adjunct (a few weeks) in a regimen of weight reduction based on caloric restriction","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=160 mg/kg (orally in rats). Acute overdosage may result in restlessness, tremor, tachypnea, confusion, assaultiveness, and panic states.","MechanismOfAction":"Although the mechanism of action of the sympathomimetic appetite suppressants in the treatment of obesity is not fully known, these medications have pharmacological effects similar to those of amphetamines. Amphetamine and related sympathomimetic medications (such as benzphetamine) are thought to stimulate the release of norepinephrine and/or dopamine from storage sites in nerve terminals in the lateral hypothalamic feeding center, thereby producing a decrease in appetite. This release is mediated by the binding of benzphetamine to centrally located adrenergic receptors.","Pharmacodynamics":"Benzphetamine, a phenylalkylamin, is related to amphetamine both chemically and pharmacologically. It is an anorectic agent indicated in the management of exogenous obesity as a short term adjunct (a few weeks) in a regimen of weight reduction based on caloric restriction. Benzphetamine is a sympathomimetic amine with pharmacologic activity similar to the prototype drugs of this class used in obesity, the amphetamines. Actions include central nervous system stimulation and elevation of blood pressure. Tachyphylaxis and tolerance have been demonstrated with all drugs of this class in which these phenomena have been looked for.","Absorption":"Readily absorbed from the gastro-intestinal tract and buccal mucosa. It Is resistant to metabolism by monoamine oxidase.","Interactions":[{"ID":"DB00477"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB01367"},{"ID":"DB01390"},{"ID":"DB00976"},{"ID":"DB00679"},{"ID":"DB00193"},{"ID":"DB00519"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000832","Name":"Benzphetamine Hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00866","Name":"Alprenolol","DrugType":"small molecule","HalfLife":"2-3 hours","Description":"One of the adrenergic beta-antagonists used as an antihypertensive, anti-anginal, and anti-arrhythmic agent. Alprenolol is no longer marketed by AstraZeneca, but may still be available in generic varieties. ","Classification":{"Description":"This compound belongs to the phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.","DirectParent":"Phenylpropenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropenes"},"Indication":"For the treatment of hypertension, angina, and arrhythmia","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=597.0 mg/kg (Orally in rats)","MechanismOfAction":"Alprenolol non-selectively blocks beta-1 adrenergic receptors mainly in the heart, inhibiting the effects of epinephrine and norepinephrine resulting in a decrease in heart rate and blood pressure. Also, with a more minor effect, by binding beta-2 receptors in the juxtaglomerular apparatus, alprenolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production and therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively.","Pharmacodynamics":"Alprenolol is a non-selective beta-blocker used in the treatment of hypertension, edema, ventricular tachycardias, and atrial fibrillation. Alprenolol impairs AV node conduction and decreases sinus rate and may also increase plasma triglycerides and decrease HDL-cholesterol levels. Alprenolol is nonpolar and hydrophobic, with low to moderate lipid solubility. Alprenolol has little to no intrinsic sympathomimetic activity and, unlike some other beta-adrenergic blocking agents, alprenolol has little direct myocardial depressant activity and does not have an anesthetic-like membrane-stabilizing action.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000932","Name":"Alprenolol hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":[{"ID":"SMP00297","Drugs":["DB00866","DB01345","DB01373"]}]},{"ID":"DB00867","Name":"Ritodrine","DrugType":"small molecule","HalfLife":"1.7-2.6 hours","Description":"Adrenergic beta-agonist used to control premature labor. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment and prophylaxis of premature labour","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=64mg/kg (mice, IV); LD\u003csub\u003e50\u003c/sub\u003e=540 mg/kg (mice, oral); LD\u003csub\u003e50\u003c/sub\u003e=85 mg/kg (rat, IV)","MechanismOfAction":"Ritodrine is beta-2 adrenergic agonist. It binds to beta-2 adrenergic receptors on outer membrane of myometrial cell, activates adenyl cyclase to increase the level of cAMP which decreases intracellular calcium and leads to a decrease of uterine contractions.","Pharmacodynamics":"Beta-2 adrenergic receptors are located at sympathetic neuroeffector junctions of many organs, including uterus. Ritodrine is beta-2 adrenergic agonist. It stimulates beta-2 adrenergic receptor, increases cAMP level and decreases intracellular calcium concentration. The decrease of calcium concentration leads to a relaxation of uterine smooth muscle and, therefore, a decrease in premature uterine contractions. ","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000489","Name":"Ritodrine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00868","Name":"Benzonatate","DrugType":"small molecule","HalfLife":"3-8 hours","Description":"Benzonatate is a non-narcotic oral antitussive (cough suppressant) drug which works by anesthetizing the tissues of the lungs and pleura responsible for the cough reflex. It is chemically related to other ester anesthetics such as procaine. It has an anesthetic (numbing) action similar to that of benzocaine and \"numbs\" the stretch sensors in the lungs. It is the stretching of these sensors with breathing that causes the cough. It was approved by the FDA in 1958.","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the symptomatic relief of cough. Has also been applied locally in the oral cavity in adults by releasing the drug from the liquid-filled capsules to provide oropharyngeal anesthesia for conscious intubation.","Toxicity":"Restlessness, tremors, seizures and unconsciousness.","MechanismOfAction":"Benzonatate acts peripherally, anesthetizing the stretch receptors of vagal afferent fibers in the alveoli of the lungs, bronchi, and pleura. Since these receptors are responsible for mediating the cough reflex, anesthetizing these receptors result in the inhibiton of cough production. Benzonatate also suppresses transmission of the cough reflex at the level of the medulla where the afferent impulse is transmitted to the motor nerves. When applied locally, Benzonatate binds within the intracellular portion of voltage-gated sodium channels, decreasing the rate of membrane depolarization and increasing the threshold for electrical excitability.","Pharmacodynamics":"Benzonatate, a non-narcotic antitussive agent chemically related to tetracaine and other ester-type local anesthetics, is used to suppress cough associated with both acute and chronic respiratory conditions. The drug acts peripherally by anesthetizing the stretch receptors located in the respiratory passages, lungs, and pleura through the dampening of their activity, which reduces the cough reflex.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00869","Name":"Dorzolamide","DrugType":"small molecule","HalfLife":"4 months","Description":"Dorzolamide is a carbonic anhydrase (CA) inhibitor. It is used in ophthalmic solutions (Trusopt) to lower intraocular pressure (IOP) in open-angle glaucoma and ocular hypertension.","Classification":{"Description":"This compound belongs to the thiopyrans. These are compounds containing a six-member aliphatic heterocycle made up of one sulfur atom and five carbon atoms.","DirectParent":"Thiopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiopyrans","SubClass":""},"Indication":"For the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma. Also used prophylatically for the inhibition of perioperative IOP increase (before neodynium yttrium aluminum garnet laser posterior capsulotomy).","Toxicity":"Dizziness, headache, shortness of breath, slow heartbeat, severe asthma, cardiac arrest","MechanismOfAction":"Dorzolamide is a sulfonamide and a highly specific carbonic anhydrase II (CA-II) inhibitor, which is the main CA isoenzyme involved in aqueous humor secretion. Inhibition of CA-II in the ciliary processes of the eye decreases aqueous humor secretion, presumably by slowing the formation of bicarbonate ions with subsequent reduction in sodium and fluid transport. Dorzolamide also accumulates in red blood cells as a result of CA-II binding, as CA-II is found predominantly in erythrocytes. However, sufficient CA-II activity remains so that adverse effects due to systemic CA inhibition are not observed.","Pharmacodynamics":"Dorzolamide is topical CA inhibitor that is indicated for the reduction of elevated IOP in patients with open-angle glaucoma or ocular hypertension who are insufficiently responsive to beta-blockers. Dorzolamide reduces IOP by approximately 17-23% in patients with elevater IOP.","Absorption":"","Interactions":[{"ID":"DB01194"}],"Salts":[{"ID":"DBSALT000931","Name":"Dorzolamide Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00870","Name":"Suprofen","DrugType":"small molecule","HalfLife":"","Description":"An ibuprofen-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic. It is no longer approved for use in the United States.","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"Used as eye drops to inhibit the miosis (pupil constriction) that may occur during ocular surgery.","Toxicity":"Symptoms of overdose include bleeding in the eye or redness or swelling of the eye or the eyelid, blurred vision or other change in vision, fever or chills, itching or tearing, nausea or vomiting, pain, sensitivity to light, shortness of breath, sticky or matted eyelashes, swelling of face, throbbing pain, tightness in chest, troubled breathing, and wheezing.","MechanismOfAction":"Suprofen binds to the cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) isoenzymes, preventing the synthesis of prostaglandins and reducing the inflammatory response. Cyclooxygenase catalyses the formation of prostaglandins and thromboxane from arachidonic acid (itself derived from the cellular phospholipid bilayer by phospholipase A\u003csub\u003e2\u003c/sub\u003e). Prostaglandins act (among other things) as messenger molecules in the process of inflammation. The overall result is a reduction in pain and inflammation in the eyes and the prevention of pupil constriction during surgery. Normally trauma to the anterior segment of the eye (especially the iris) increases endogenous prostaglandin synthesis which leads to constriction of the iris sphincter.","Pharmacodynamics":"Suprofen is a non-steroidal anti-inflammatory analgesic and antipyretic. Ophthalmic anti-inflammatory medicines are used in the eye to lessen problems that can occur during or after some kinds of eye surgery. Sometimes, the pupil of the eye gets smaller during an operation (pupil constriction), making it more difficult for the surgeon to reach some areas of the eye. Suprofen is used to help prevent this.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":[{"ID":"SMP00101","Drugs":["DB00142","DB00143","DB00870","DB01373","DB01593","DB04557"]}]},{"ID":"DB00871","Name":"Terbutaline","DrugType":"small molecule","HalfLife":"5.5-5.9 hours","Description":"A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic. [PubChem]","Classification":{"Description":"This compound belongs to the resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydrocyl groups at positions 1 and 3.","DirectParent":"Resorcinols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the prevention and reversal of bronchospasm in patients 12 years of age and older with reversible, obstructive airway disease, as well as symptomatic management of reversible bronchospasm associated with bronchitis and emphysema. Also used acute IV and sub-Q therapy in selected women to inhibit uterine contractions in preterm labor (tocolysis) and prolong gestation when beneficial.","Toxicity":"Terbutaline Sulfate: Oral LD\u003csub\u003e50\u003c/sub\u003e(rat) = 8.7 g/kg; Oral LD\u003csub\u003e50\u003c/sub\u003e(mouse) = 205 mg/kg; Oral LD\u003csub\u003e50\u003c/sub\u003e(dog) = 1.5 g/kg; IP LD\u003csub\u003e50\u003c/sub\u003e(rat)= 220 mg/kg ; IP LD\u003csub\u003e50\u003c/sub\u003e(mouse) = 130 mg/kg; Oral LD\u003csub\u003e50\u003c/sub\u003e(rabbit) = \u003e8 g/kg; IV LD\u003csub\u003e50\u003c/sub\u003e(mouse) = 36 mg/kg; IV LD\u003csub\u003e50\u003c/sub\u003e(dog) = 116 mg/kg; IV LD\u003csub\u003e50\u003c/sub\u003e(rabbit) = 110 mg/kg","MechanismOfAction":"The pharmacologic effects of terbutaline are at least in part attributable to stimulation through beta-adrenergic receptors of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic- 3',5'- adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.","Pharmacodynamics":"Terbutaline is a relatively selective beta2-adrenergic bronchodilator that has little or no effect on alpha-adrenergic receptors. The drug has exerts a preferential effect on beta2-adrenergic receptors but stimulates beta-adrenergic receptors less selectively than relatively selective beta2-agonists. Terbutaline appears to have a greater stimulating effect on beta-receptors of the bronchial, vascular, and uterine smooth muscles (beta2 receptors) than on the beta-receptors of the heart (beta1 receptors). This drug relaxes smooth muscle and inhibits uterine contractions, but may also cause some cardiostimulatory effects and CNS stimulation.","Absorption":"Approximately 30-50% if administered orally and well absorbed subcutaneously.","Interactions":[{"ID":"DB01193"},{"ID":"DB00386"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB01242"},{"ID":"DB01089"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00187"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00598"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00264"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB01203"},{"ID":"DB00540"},{"ID":"DB01580"},{"ID":"DB01626"},{"ID":"DB01359"},{"ID":"DB00780"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00344"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00489"},{"ID":"DB00373"},{"ID":"DB00752"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT000297","Name":"Terbutaline Sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00872","Name":"Conivaptan","DrugType":"small molecule","HalfLife":"5 hours","Description":"Conivaptan is a non-peptide inhibitor of antidiuretic hormone (vasopressin). It was approved in 2004 for hyponatremia (low blood sodium levels) caused by syndrome of inappropriate antidiuretic hormone (SIADH). Conivaptan inhibits both isotypes of the vasopressin receptor (V1a and V2).","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"For the treatment of euvolemic or hypervolemic hyponatremia (e.g. the syndrome of inappropriate secretion of antidiuretic hormone, or in the setting of hypothyroidism, adrenal insufficiency, pulmonary disorders, etc.) in hospitalized patients.","Toxicity":"Although no data on overdosage in humans are available, conivaptan has been administered as a 20 mg loading dose on Day 1 followed by continuous infusion of 80 mg/day for 4 days in hyponatremia patients and up to 120 mg/day for 2 days in CHF patients. No new toxicities were identified at these higher doses, but adverse events related to the pharmacologic activity of conivaptan, e.g. hypotension and thirst, occurred more frequently at these higher doses.","MechanismOfAction":"Conivaptan is a dual AVP antagonist with nanomolar affinity for human arginine vasopressin V\u003csub\u003e1A\u003c/sub\u003e and V\u003csub\u003e2\u003c/sub\u003e receptors \u003ci\u003ein vitro\u003c/i\u003e. This antagonism occurs in the renal collecting ducts, resulting in aquaresis, or excretion of free water. ","Pharmacodynamics":"Conivaptan is a nonpeptide, dual antagonist of arginine vasopressin (AVP) V\u003csub\u003e1A\u003c/sub\u003e and V\u003csub\u003e2\u003c/sub\u003e receptors. The level of AVP in circulating blood is critical for the regulation of water and electrolyte balance and is usually elevated in both euvolemic and hypervolemic hyponatremia. The AVP effect is mediated through V\u003csub\u003e2\u003c/sub\u003e receptors, which are functionally coupled to aquaporin channels in the apical membrane of the collecting ducts of the kidney. These receptors help to maintain plasma osmolality within the normal range by increasing permeability of the renal collecting ducts to water. Vasopressin also causes vasoconstriction through its actions on vascular \u003csub\u003e1A\u003c/sub\u003e receptors. The predominant pharmacodynamic effect of conivaptan in the treatment of hyponatremia is through its V\u003csub\u003e2\u003c/sub\u003e antagonism of AVP in the renal collecting ducts, an effect that results in aquaresis, or excretion of free water. Conivaptan's antagonist activity on V\u003csub\u003e1A\u003c/sub\u003e receptors may also cause splanchnic vasodilation, resulting in possible hypotension or variceal bleeding in patients with cirrhosis. The pharmacodynamic effects of conivaptan include increased free water excretion (i.e., effective water clearance [EWC]) generally accompanied by increased net fluid loss, increased urine output, and decreased urine osmolality.","Absorption":"","Interactions":[{"ID":"DB00346"},{"ID":"DB00918"},{"ID":"DB06697"},{"ID":"DB00307"},{"ID":"DB01393"},{"ID":"DB08873"},{"ID":"DB01558"},{"ID":"DB01222"},{"ID":"DB00297"},{"ID":"DB00921"},{"ID":"DB00201"},{"ID":"DB00185"},{"ID":"DB01394"},{"ID":"DB01219"},{"ID":"DB04855"},{"ID":"DB00700"},{"ID":"DB01590"},{"ID":"DB00813"},{"ID":"DB06702"},{"ID":"DB00196"},{"ID":"DB00588"},{"ID":"DB01218"},{"ID":"DB04946"},{"ID":"DB01167"},{"ID":"DB04845"},{"ID":"DB01026"},{"ID":"DB08815"},{"ID":"DB04835"},{"ID":"DB00959"},{"ID":"DB04868"},{"ID":"DB00401"},{"ID":"DB01229"},{"ID":"DB06589"},{"ID":"DB08901"},{"ID":"DB01263"},{"ID":"DB00243"},{"ID":"DB06228"},{"ID":"DB06176"},{"ID":"DB00938"},{"ID":"DB06335"},{"ID":"DB00203"},{"ID":"DB06207"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00906"},{"ID":"DB08816"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB06684"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":[{"ID":"DBSALT000793","Name":"Conivaptan hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00873","Name":"Loteprednol","DrugType":"small molecule","HalfLife":"","Description":"Loteprednol (as Loteprednol Etabonate) is a topical corticoid antiinflammatory. It is used in ophthalmic solution for the treatment of steroid responsive inflammatory conditions of the eye such as allergic conjunctivitis, uveitis, acne rosacea, superficial punctate keratitis, herpes zoster keratitis, iritis, cyclitis, and selected infective conjunctivitides. As a nasal spray, is used for the treatment and management of seasonal allergic rhinitis. ","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"As an ophthalmic it is used for the treatment of steroid responsive inflammatory conditions of the eye such as allergic conjunctivitis, uveitis, acne rosacea, superficial punctate keratitis, herpes zoster keratitis, iritis, cyclitis, and selected infective conjunctivitides. As a nasal spray, used for the treatment and management of seasonal allergic rhinitis.","Toxicity":"Adverse effects include abnormal vision / blurring, burning on instillation, chemosis, discharge, dry eyes, epiphora, foreign body sensation, itching, injection, and photophobia.","MechanismOfAction":"Loteprednol etabonate (LE) is a \"soft\" steroid belonging to a unique class of glucocorticoids. Loteprednol etabonate is structurally similar to other glucocorticoids. However, the number 20 position ketone group is absent. It is highly lipid soluble which enhances its penetration into cells. Loteprednol etabonate is synthesized through structural modifications of prednisolone- related compounds so that it will undergo a predictable transformation to an inactive metabolite. It first binds to the type II glucocorticoid receptor. Corticosteroids inhibit the inflammatory response to a variety of inciting agents and probably delay or slow healing. They inhibit the edema, fibrin deposition, capillary dilation, leukocyte migration, capillary proliferation, fibroblast proliferation, deposition of collagen, and scar formation associated with inflammation. There is no generally accepted explanation for the mechanism of action of ocular corticosteroids. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2.","Pharmacodynamics":"Loteprednol etabonate (LE) is a \"soft\" steroid belonging to a unique class of glucocorticoids. LE possesses a metabolically labile 17 beta-chloromethyl ester function which was designed in order to be hydrolyzed to an inactive carboxylic acid moiety. This inactive metabolite is more hydrophilic and is thus readily eliminated from the body. Loteprednol etabonate has good ocular permeation properties and good skin permeation properties similar to \"hard\" steroids. It is used as a topical agent for the treatment of steroid responsive inflammatory conditions of the eye such as allergic conjunctivitis, uveitis and iritis.","Absorption":"Very limited systemic absorption, but good absorption at the point of delivery.","Interactions":null,"Salts":[{"ID":"DBSALT000930","Name":"Loteprednol Etabonate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00874","Name":"Guaifenesin","DrugType":"small molecule","HalfLife":"1 hour","Description":"An expectorant that also has some muscle relaxing action. It is used in many cough preparations. [PubChem]","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Used to assist the expectoration of phlegm from the airways in acute respiratory tract infections.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e 1510 mg/kg (rat, oral)","MechanismOfAction":"Guaifenesin may act as an irritant to gastric vagal receptors, and recruit efferent parasympathetic reflexes that cause glandular exocytosis of a less viscous mucus mixture. Cough may be provoked. This combination may flush tenacious, congealed mucopurulent material from obstructed small airways and lead to a temporary improvement in dyspnea or the work of breathing.","Pharmacodynamics":"Guaifenesin is an expectorant which increases the output of phlegm (sputum) and bronchial secretions by reducing adhesiveness and surface tension. The increased flow of less viscous secretions promotes ciliary action and changes a dry, unproductive cough to one that is more productive and less frequent. By reducing the viscosity and adhesiveness of secretions, guaifenesin increases the efficacy of the mucociliary mechanism in removing accumulated secretions from the upper and lower airway.","Absorption":"Rapidly absorbed from the GI tract","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00875","Name":"Flupentixol","DrugType":"small molecule","HalfLife":"19 to 39 hours","Description":"Flupentixol is an antipsychotic neuroleptic drug. It is a thioxanthene, and therefore closely related to the phenothiazines. Its primary use is as a long acting injection given two or three weekly to people with schizophrenia who have a poor compliance with medication and suffer frequent relapses of illness. It is a D1 and D2 receptor antagonist. It is not approved in the United States. ","Classification":{"Description":"This compound belongs to the thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.","DirectParent":"Thioxanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Thioxanthenes"},"Indication":"For use in the treatment of schizophrenia and depression","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=300 mk/kg (Oral in mice); LD\u003csub\u003e50\u003c/sub\u003e=791 mg/kg (Oral in rats); LD\u003csub\u003e50\u003c/sub\u003e=87 mk/kg (IV in mice); LD\u003csub\u003e50\u003c/sub\u003e=37 mg/kg (IV in rats)","MechanismOfAction":"Flupenthixol is a thioxanthene antipsychotic. The mechanism of action of Flupenthixol is not completely understood. Flupenthixol is a powerful antagonist of both D1 and D2 dopamine receptors, and an alpha-adrenergic receptor antagonist. It's antipsychotic activity is thought to be related to blocks postsynaptic dopamine receptors in the CNS.","Pharmacodynamics":"Flupenthixol is an anxiolytic, antidepressive agent and a mood stabilizer. It inhibits the central monoamine receptors, particularly the dopamine D1 and D2 receptors. Therefore, it increases the amount of serotonin and noradrenaline that control mood and thinking, and improves mood.","Absorption":"Fairly slow and incomplete after oral administration","Interactions":[{"ID":"DB06697"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB06708"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB04844"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000928","Name":"Flupentixol Decanoate"},{"ID":"DBSALT000929","Name":"Flupentixol Hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00876","Name":"Eprosartan","DrugType":"small molecule","HalfLife":"The terminal elimination half-life of eprosartan following oral administration is typically 5 to 9 hours.","Description":"Eprosartan is an angiotensin II receptor antagonist used for the treatment of high blood pressure. It acts on the renin-angiotensin system in two ways to decrease total peripheral resistance. First, it blocks the binding of angiotensin II to AT1 receptors in vascular smooth muscle, causing vascular dilatation. Second, it inhibits sympathetic norepinephrine production, further reducing blood pressure.","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the management of hypertension alone or in combination with other classes of antihypertensive agents. Also used as a first-line agent in the treatment of diabetic nephropathy, as well as a second-line agent in the treatment of congestive heart failure (only in those intolerant of ACE inhibitors).","Toxicity":"There was no mortality in rats and mice receiving oral doses of up to 3000 mg eprosartan/kg and in dogs receiving oral doses of up to 1000 mg eprosartan/kg.","MechanismOfAction":"Eprosartan blocks the vasoconstrictor and aldosterone-secreting effects of angiotensin II by selectively blocking the binding of angiotensin II to the AT\u003csub\u003e1\u003c/sub\u003e receptor found in many tissues (e.g., vascular smooth muscle, adrenal gland). There is also an AT\u003csub\u003e2\u003c/sub\u003e receptor found in many tissues but it is not known to be associated with cardiovascular homeostasis. Eprosartan does not exhibit any partial agonist activity at the AT\u003csub\u003e1\u003c/sub\u003e receptor. Its affinity for the AT\u003csub\u003e1\u003c/sub\u003e receptor is 1,000 times greater than for the AT\u003csub\u003e2\u003c/sub\u003e receptor. In vitro binding studies indicate that eprosartan is a reversible, competitive inhibitor of the AT\u003csub\u003e1\u003c/sub\u003e receptor. Eprosartan has also been shown to bind to AT\u003csub\u003e1\u003c/sub\u003e receptors both presynaptically and synaptically. Its action on presynaptic AT\u003csub\u003e1\u003c/sub\u003e receptors results in the inhibition of sympathetically stimulated noradrenaline release. Unlike ACE inhibitors, eprosartan and other ARBs do not interfere with response to bradykinins and substance P, which allows for the absence of adverse effects that are present in ACE inhibitors (eg. dry cough).","Pharmacodynamics":"Angiotensin II, the principal pressor agent of the renin-angiotensin system, is formed from angiotensin I in a reaction catalyzed by angiotensin-converting enzyme [kininase II]. It is responsible for effects such as vasoconstriction, stimulation of synthesis and release of aldosterone, cardiac stimulation, and renal reabsorption of sodium. Eprosartan selectively blocks the binding of angiotensin II to the AT\u003csub\u003e1\u003c/sub\u003e receptor, which in turn leads to multiple effects including vasodilation, a reduction in the secretion of vasopressin, and reduction in the production and secretion of aldosterone. The resulting effect is a decrease in blood pressure.","Absorption":"Absolute bioavailability following a single 300 mg oral dose of eprosartan is approximately 13%. Administering eprosartan with food delays absorption.","Interactions":[{"ID":"DB00594"},{"ID":"DB01395"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":[{"ID":"DBSALT000927","Name":"Eprosartan mesylate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00159","Drugs":["DB00876","DB01593"]}]},{"ID":"DB00877","Name":"Sirolimus","DrugType":"small molecule","HalfLife":"57-63 hours","Description":"A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to immunophilins. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties. [PubChem]","Classification":{"Description":"This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.","DirectParent":"Macrolide Lactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolide Lactams","SubClass":""},"Indication":"For the prophylaxis of organ rejection in patients receiving renal transplants.","Toxicity":"","MechanismOfAction":"Sirolimus inhibits T lymphocyte activation and proliferation that occurs in response to antigenic and cytokine (Interleukin IL-2, IL-4, and IL-15) stimulation by a mechanism that is distinct from that of other immunosuppressants. Sirolimus also inhibits antibody production. In cells, sirolimus binds to the immunophilin, FK Binding Protein-12 (FKBP-12), to generate an immunosuppressive complex. The sirolimus:FKBP-12 complex has no effect on calcineurin activity. This complex binds to and inhibits the activation of the mammalian Target Of Rapamycin (mTOR), a key regulatory kinase. This inhibition suppresses cytokine-driven T-cell proliferation, inhibiting the progression from the G1 to the S phase of the cell cycle.","Pharmacodynamics":"Sirolimus, a macrocyclic lactone produced by \u003ci\u003eStreptomyces hygroscopicus\u003c/i\u003e, is an immunosuppressive agent indicated for the prophylaxis of organ rejection in patients receiving renal transplants. It is recommended that sirolimus be used in a regimen with cyclosporine and corticosteroids.","Absorption":"","Interactions":[{"ID":"DB01072"},{"ID":"DB08873"},{"ID":"DB01211"},{"ID":"DB00091"},{"ID":"DB00343"},{"ID":"DB04855"},{"ID":"DB00199"},{"ID":"DB01320"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00252"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB06372"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00519"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00878","Name":"Chlorhexidine","DrugType":"small molecule","HalfLife":"","Description":"A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque. [PubChem]","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For reduction of pocket depth in patients with adult periodontitis, used as an adjunct to scaling and root planing procedures. Also for prevention of dental caries, oropharyngeal decontamination in critically ill patients, hand hygiene in health-care personnel, general skin cleanser, and catheter site preparation and care.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e= 2g/kg (human, oral); LD\u003csub\u003e50\u003c/sub\u003e= 3 g/kg (rat, oral); LD\u003csub\u003e50\u003c/sub\u003e= 2.5 g/kg (mice, oral); LD\u003csub\u003e50\u003c/sub\u003e= 21 mg/kg (male rat, IV); LD\u003csub\u003e50\u003c/sub\u003e= 23 mg/kg (female rat, IV); LD\u003csub\u003e50\u003c/sub\u003e= 25 mg/kg (male mice, IV); LD\u003csub\u003e50\u003c/sub\u003e= 24 mg/kg (female mice, IV); LD\u003csub\u003e50\u003c/sub\u003e= 1g/kg (rat, subcutaneous); LD\u003csub\u003e50\u003c/sub\u003e= 637 mg/kg (male mice, subcutaneous); LD\u003csub\u003e50\u003c/sub\u003e= 632 mg/kg (female mice, subcutaneous)","MechanismOfAction":"Chlorhexidine's antimicrobial effects are associated with the attractions between chlorhexidine (cation) and negatively charged bacterial cells. After chlorhexidine is absorpted onto the organism's cell wall, it disrupts the integrity of the cell membrane and causes the leakage of intracellular components of the organisms.","Pharmacodynamics":"Chlorhexidine, a topical antimicrobial agent, is bactericidal. Because of its positive charge, the chlorhexidine molecule reacts with the microbial cell surface to destroy the integrity of the cell membrane. This novel mechanism of action makes it highly unlikely for the development of bacterial resistance.","Absorption":"Absorption of chlorhexidine from the gastrointestinal tract is very poor. Additionally, an in vivo study in 18 adult patients found no detectable plasma or urine chlorhexidine concentrations following insertion of four periodontal implants under clinical conditions.","Interactions":null,"Salts":[{"ID":"DBSALT000023","Name":"Chlorhexidine gluconate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00879","Name":"Emtricitabine","DrugType":"small molecule","HalfLife":"10 hours","Description":"Emtricitabine is a nucleoside reverse transcriptase inhibitor (NRTI) for the treatment of HIV infection in adults. Emtricitabine is an analogue of cytidine. The drug works by inhibiting reverse transcriptase, the enzyme that copies HIV RNA into new viral DNA.","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Indicated, in combination with other antiretroviral agents, for the treatment of HIV-1 infection in adults and for postexposure prophylaxis of HIV infection in health care workers and others exposed occupationally or nonoccupationally via percutaneous injury or mucous membrane or nonintact skin contact with blood, tissues, or other body fluids associated with risk for transmission of the virus.","Toxicity":"Symptoms of overdose include serious liver problems (hepatotoxicity, with liver enlargement and fat in the liver called steatosis) or a lactic acidosis (buildup of an acid in the blood).","MechanismOfAction":"Emtricitabine works by inhibiting reverse transcriptase, the enzyme that copies HIV RNA into new viral DNA. Emtricitabine is a synthetic nucleoside analogue of cytidine. It is phosphorylated by cellular enzymes to form emtricitabine 5'-triphosphate, which is responsible for the inhibition of HIV-1 reverse transcriptase. It competes with the natural substrate deoxycytidine 5'-triphosphate and incorporates into nascent viral DNA, resulting in early chain termination. Therefore emtricitabine inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate deoxycytidine 5'-triphosphate and by its incorporation into viral DNA. By inhibiting HIV-1 reverse transcriptase, emtricitabine can help to lower the amount of HIV, or \"viral load\", in a patient's body and can indirectly increase the number of immune system cells (called T cells or CD4+ T-cells). Both of these changes are associated with healthier immune systems and decreased likelihood of serious illness.","Pharmacodynamics":"Emtricitabine is a nucleoside reverse transcriptase inhibitor (NRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Emtricitabine helps to block HIV reverse transcriptase, a chemical in your body (enzyme) that is needed for HIV to multiply. Emtricitabine is always used with other anti-HIV medicines to treat people with HIV infection. Emtricitabine may lower the amount of HIV in the blood (viral load). Emtricitabine may also help to increase the number of T cells called CD4 cells. Lowering the amount of HIV in the blood lowers the chance of death or infections that happen when your immune system is weak (opportunistic infections). People taking emtricitabine may still get opportunistic infections or other conditions that happen with HIV infection.","Absorption":"Rapidly absorbed (mean absolute bioavailability of 93% for capsules, and 75% for solution). Food does not effect absorption.","Interactions":[{"ID":"DB01610"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00741","Drugs":["DB00879"]}]},{"ID":"DB00880","Name":"Chlorothiazide","DrugType":"small molecule","HalfLife":"45-120 minutes","Description":"A thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p812)","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"Chlorothiazide is indicated as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. It is also indicated in the management of hypertension either as the sole therapeutic agent or to enhance the effectiveness of other antihypertensive drugs in the more severe forms of hypertension.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: \u003e 10 g/kg. Signs of overdose include those caused by electrolyte depletion (hypokalemia, hypochloremia, hyponatremia) and dehydration resulting from excessive diuresis. If digitalis has also been administered hypokalemia may accentuate cardiac arrhythmias.","MechanismOfAction":"As a diuretic, chlorothiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like chlorothiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of chlorothiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle.","Pharmacodynamics":"Like other thiazides, chlorothiazide promotes water loss from the body (diuretics). It inhibits Na\u003csup\u003e+\u003c/sup\u003e/Cl\u003csup\u003e-\u003c/sup\u003e reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue. Chlorothiazide affects the distal renal tubular mechanism of electrolyte reabsorption. At maximal therapeutic dosages, all thiazides are approximately equal in their diuretic efficacy. Chlorothiazide increases excretion of sodium and chloride in approximately equivalent amounts. Natriuresis may be accompanied by some loss of potassium and bicarbonate. After oral doses, 10-15 percent of the dose is excreted unchanged in the urine. Chlorothiazide crosses the placental but not the blood-brain barrier and is excreted in breast milk.","Absorption":"Rapidly absorbed following oral administration.","Interactions":[{"ID":"DB01143"},{"ID":"DB01432"},{"ID":"DB00375"},{"ID":"DB00390"},{"ID":"DB00204"},{"ID":"DB01356"},{"ID":"DB00073"},{"ID":"DB00273"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000926","Name":"Chlorothiazide Sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00078","Drugs":["DB00151","DB00880","DB01345","DB03904"]}]},{"ID":"DB00881","Name":"Quinapril","DrugType":"small molecule","HalfLife":"Elimination half life is 2 hours with a prolonged terminal phase of 25 hours. ","Description":"Quinapril is a prodrug that belongs to the angiotensin-converting enzyme (ACE) inhibitor class of medications. It is metabolized to quinaprilat (quinapril diacid) following oral administration. Quinaprilat is a competitive inhibitor of ACE, the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Quinapril may be used to treat essential hypertension and congestive heart failure. ","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of hypertension and as adjunct therapy in the treatment of congestive heart failure. May also be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. ","Toxicity":"Overdose may lead to severe hypotension. LD\u003csub\u003e50\u003c/sub\u003e=1739mg/kg (orally in mice). The most common adverse effects observed in controlled clinical trials were dizziness, cough, chest pain, dyspnea, fatigue, and nausea/vomiting. ","MechanismOfAction":"There are two isoforms of ACE: the somatic isoform, which exists as a glycoprotein comprised of a single polypeptide chain of 1277; and the testicular isoform, which has a lower molecular mass and is thought to play a role in sperm maturation and binding of sperm to the oviduct epithelium. Somatic ACE has two functionally active domains, N and C, which arise from tandem gene duplication. Although the two domains have high sequence similarity, they play distinct physiological roles. The C-domain is predominantly involved in blood pressure regulation while the N-domain plays a role in hematopoietic stem cell differentiation and proliferation. ACE inhibitors bind to and inhibit the activity of both domains, but have much greater affinity for and inhibitory activity against the C-domain. Quinaprilat, the principle active metabolite of quinapril, competes with ATI for binding to ACE and inhibits and enzymatic proteolysis of ATI to ATII. Decreasing ATII levels in the body decreases blood pressure by inhibiting the pressor effects of ATII as described in the Pharmacology section above. Quinaprilat also causes an increase in plasma renin activity likely due to a loss of feedback inhibition mediated by ATII on the release of renin and/or stimulation of reflex mechanisms via baroreceptors. ","Pharmacodynamics":"Quinapril is a nonpeptide, non-sulfhydryl prodrug that is deesterified to quinaprilat (quinapril diacid), its major active metabolite following oral administration. Quinaprilat lowers blood pressure by antagonizing the effect of the RAAS. The RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from the granular cells of the juxtaglomerular apparatus in the kidneys. In the blood stream, renin cleaves circulating angiotensinogen to ATI, which is subsequently cleaved to ATII by ACE. ATII increases blood pressure using a number of mechanisms. First, it stimulates the secretion of aldosterone from the adrenal cortex. Aldosterone travels to the distal convoluted tubule (DCT) and collecting tubule of nephrons where it increases sodium and water reabsorption by increasing the number of sodium channels and sodium-potassium ATPases on cell membranes. Second, ATII stimulates the secretion of vasopressin (also known as antidiuretic hormone or ADH) from the posterior pituitary gland. ADH stimulates further water reabsorption from the kidneys via insertion of aquaporin-2 channels on the apical surface of cells of the DCT and collecting tubules. Third, ATII increases blood pressure through direct arterial vasoconstriction. Stimulation of the Type 1 ATII receptor on vascular smooth muscle cells leads to a cascade of events resulting in myocyte contraction and vasoconstriction. In addition to these major effects, ATII induces the thirst response via stimulation of hypothalamic neurons. ACE inhibitors inhibit the rapid conversion of ATI to ATII and antagonize RAAS-induced increases in blood pressure. ACE (also known as kininase II) is also involved in the enzymatic deactivation of bradykinin, a vasodilator. Inhibiting the deactivation of bradykinin increases bradykinin levels and may sustain the effects of quinaprilat by causing increased vasodilation and decreased blood pressure.","Absorption":"Peak plasma concentrations of quinapril occur within one hour following oral administration. The extent of absorption is at least 60%. The rate and extent of quinapril absorption are diminished moderately (approximately 25-30%) when ACCUPRIL tablets are administered during a high-fat meal.","Interactions":[{"ID":"DB00594"},{"ID":"DB08822"},{"ID":"DB01395"},{"ID":"DB06196"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00759"},{"ID":"DB00697"},{"ID":"DB00684"},{"ID":"DB00374"},{"ID":"DB00384"},{"ID":"DB00685"}],"Salts":[{"ID":"DBSALT000465","Name":"Quinapril Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00153","Drugs":["DB00881","DB01593"]},{"ID":"SMP00596","Drugs":["DB00881","DB01593"]}]},{"ID":"DB00882","Name":"Clomifene","DrugType":"small molecule","HalfLife":"5-7 days","Description":"A triphenyl ethylene stilbene derivative which is an estrogen agonist or antagonist depending on the target tissue. [PubChem]","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Used mainly in female infertility due to anovulation (e.g. due to polycystic ovary syndrome) to induce ovulation. ","Toxicity":"The acute oral LD\u003csub\u003e50\u003c/sub\u003e of clomifene is 1700 mg/kg in mice and 5750 mg/kg in rats. The toxic dose in humans is not known. Toxic effects accompanying acute overdosage of clomifene have not been reported. Signs and symptoms of overdosage as a result of the use of more than the recommended dose during clomifene therapy include nausea, vomiting, vasomotor flushes, visual blurring, spots or flashes, scotomata, ovarian enlargement with pelvic or abdominal pain.","MechanismOfAction":"Clomifene has both estrogenic and anti-estrogenic properties, but its precise mechanism of action has not been determined. Clomifene appears to stumulate the release of gonadotropins, follicle-stimulating hormone (FSH), and leuteinizing hormone (LH), which leads to the development and maturation of ovarian follicle, ovulation, and subsequent development and function of the coprus luteum, thus resulting in pregnancy. Gonadotropin release may result from direct stimulation of the hypothalamic-pituitary axis or from a decreased inhibitory influence of estrogens on the hypothalamic-pituitary axis by competing with the endogenous estrogens of the uterus, pituitary, or hypothalamus. Clomifene has no apparent progestational, androgenic, or antrandrogenic effects and does not appear to interfere with pituitary-adrenal or pituitary-thyroid function.","Pharmacodynamics":"Clomifene (previously clomiphene) is an orally administered, non steroidal, ovulatory stimulant that acts as a selective estrogen receptor modulator (SERM). Clomifene can lead to multiple ovulation, and hence increase the risk of conceiving twins. In comparison to purified FSH, the rate of ovarian hyperstimulation syndrome is low. There may be an increased risk of ovarian cancer and weight gain. Clomifene is capable of interacting with estrogen-receptor-containing tissues, including the hypothalamus, pituitary, ovary, endometrium, vagina, and cervix. It may compete with estrogen for estrogen-receptor-binding sites and may delay replenishment of intracellular estrogen receptors. Clomifene initiates a series of endocrine events culminating in a preovulatory gonadotropin surge and subsequent follicular rupture. The first endocrine event, in response to a course of clomifene therapy, is an increase in the release of pituitary gonadotropins. This initiates steroidogenesis and folliculogenesis resulting in growth of the ovarian follicle and an increase in the circulating level of estradiol. Following ovulation, plasma progesterone and estradiol rise and fall as they would in a normal ovulatory cycle.","Absorption":"Based on early studies with 14 C-labeled clomifene, the drug was shown to be readily absorbed orally in humans.","Interactions":[{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00481"},{"ID":"DB00418"},{"ID":"DB00306"},{"ID":"DB01586"}],"Salts":[{"ID":"DBSALT000490","Name":"Clomifene citrate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00883","Name":"Isosorbide Dinitrate","DrugType":"small molecule","HalfLife":"1 hour","Description":"A vasodilator used in the treatment of angina pectoris. Its actions are similar to nitroglycerin but with a slower onset of action. [PubChem]","Classification":{"Description":"This compound belongs to the isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.","DirectParent":"Isosorbides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furofurans","SubClass":"Isosorbides"},"Indication":"For the prevention of angina pectoris due to coronary artery disease.","Toxicity":"Symptoms of overdose include reduced cardiac output and hypotension.","MechanismOfAction":"Similar to other nitrites and organic nitrates, isosorbide dinitrate is converted to nitric oxide (NO), an active intermediate compound which activates the enzyme guanylate cyclase (atrial natriuretic peptide receptor A). This stimulates the synthesis of cyclic guanosine 3',5'-monophosphate (cGMP) which then activates a series of protein kinase-dependent phosphorylations in the smooth muscle cells, eventually resulting in the dephosphorylation of the myosin light chain of the smooth muscle fiber. The subsequent release of calcium ions results in the relaxation of the smooth muscle cells and vasodilation.","Pharmacodynamics":"Isosorbide Dinitrate is a moderate to long acting oral organic nitrate used for the relief and prophylactic management of angina pectoris. It relaxes the vascular smooth muscle and consequent dilatation of peripheral arteries and veins, especially the latter. Dilatation of the veins promotes peripheral pooling of blood and decreases venous return to the heart, thereby reducing left ventricular end- diastolic pressure and pulmonary capillary wedge pressure (preload). Arteriolar relaxation reduces systemic vascular resistance, systolic arterial pressure, and mean arterial pressure.","Absorption":"Absorption of isosorbide dinitrate after oral dosing is nearly complete, but bioavailability is highly variable (10% to 90%), with extensive first-pass metabolism in the liver. The average bioavailability of isosorbide dinitrate is about 25%.","Interactions":[{"ID":"DB06237"},{"ID":"DB00320"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB00203"},{"ID":"DB00820"},{"ID":"DB00976"},{"ID":"DB00374"},{"ID":"DB06267"},{"ID":"DB00862"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00884","Name":"Risedronate","DrugType":"small molecule","HalfLife":"1.5 hours","Description":"Risedronate is a bisphosphonate used to strengthen bone, treat or prevent osteoporosis, and treat Paget's disease of bone.","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"For the treatment of Paget's disease of the bone (osteitis deformans), postmenopausal and glucocorticoid-induced osteoporosis","Toxicity":"Side effects include abdominal pain, anxiety, back pain, belching, bladder irritation, bone disorders and pain, bronchitis, bursitis, cataracts, chest pain, colitis, constipation, depression, diarrhea, difficulty breathing, dizziness, dry eyes, eye infection, flu-like symptoms, gas, headache, high blood pressure, infection, insomnia, itching, joint disorders and pain, leg cramps, muscle pain, muscle weakness, nausea, neck pain, nerve pain, pain, pneumonia, rash, ringing in ears, sinus problems, sore throat, stomach bleeding, stuffy or runny nose, swelling, tendon problems, tumor, ulcers, urinary tract infection, vertigo, vision problems, and weakness.","MechanismOfAction":"The action of risedronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Risedronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.","Pharmacodynamics":"Risedronate is a pyridinyl bisphosphonate that inhibits osteoclast-mediated bone resorption and modulates bone metabolism and is indicated for the treatment and prevention of osteoporosis in postmenopausal women.","Absorption":"Rapid absorption (~1 hr) after an oral dose, occurs throughout the upper gastrointestinal tract","Interactions":[{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB00893"},{"ID":"DB01378"}],"Salts":[{"ID":"DBSALT000494","Name":"Risedronate sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00112","Drugs":["DB00169","DB00884","DB01592","DB02552","DB04540"]}]},{"ID":"DB00885","Name":"Pemirolast","DrugType":"small molecule","HalfLife":"4.5 hours (Ophthalmic)","Description":"Pemirolast potassium is a slightly yellow powder that is soluble in water. It is a mast cell stabilizer that acts as an antiallergic agent. As an ophthalmic aqueous sterile solution, pemirolast is used for the prevention of itching of the eyes caused by allergies such as hay fever, and allergic conjunctivitis. Pemirolast is potentially useful for prophylaxis of pulmonary hypersensitivity reactions to drugs such as paclitaxel.","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"For the prevention of itching of the eyes caused by allergies such as hay fever, and allergic conjunctivitis","Toxicity":"","MechanismOfAction":"Pemirolast binds to the histamine H\u003csub\u003e1\u003c/sub\u003e receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. Pemirolast has also been observed to inhibit antigen-stimulated calcium ion influx into mast cells through the blockage of calcium channels. Pemirolast inhibits the chemotaxis of eosinophils into ocular tissue, and prevents inflammatory mediator release from human eosinophils.","Pharmacodynamics":"Pemirolast is used for the prophylactic treatment of itching of the eye associated with allergic conjunctivitis. Pemirolast potassium is a mast cell stabilizer that inhibits the \u003ci\u003ein vivo\u003c/i\u003e Type I immediate hypersensitivity reaction. Pemirolast inhibits the antigen-induced release of inflammatory mediators (e.g., histamine, leukotriene C4, D4, E4) from human mast cells. Allergic reactions lead to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H\u003csub\u003e1\u003c/sub\u003e-receptors, produces pruritis and vasodilatation (allowing blood fluids to enter the area to cause swelling). Pemirolast is a histamine H1 antagonist. It competes with histamine for the normal H\u003csub\u003e1\u003c/sub\u003e-receptor sites on effector cells of blood vessels to provide effective, temporary relief of watery and itchy eyes.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000925","Name":"Pemirolast Potassium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00886","Name":"Omapatrilat","DrugType":"small molecule","HalfLife":"","Description":"Omapatrilat is an investigational drug that inhibits both neutral endopeptidase (NEP) and angiotensin converting enzyme (ACE). NEP inhibition results in elevated natriuretic peptide levels, promoting natriuresis, diuresis, vasodilation, and reductions in preload and ventricular remodeling. This drug from BMS was not approved by the FDA due to angioedema safety concerns.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of hypertension.","Toxicity":"Side effects include hyperkalemia, cough, hypotension, increased SrCr, and dizziness. Dizziness, diarrhea, vision disturbance, hypotension and angioedema","MechanismOfAction":"Omapatrilat binds to both angiotensin converting enzyme and neutral endopeptidase. This results in a decrease renin-angiotensin-aldosterone production and increase natriuretic peptidase circulation.","Pharmacodynamics":"Omapatrilat is used to treat hypertension. Vasopeptidase inhibitor that simultaneously inhibits angiotensin-converting enzyme (ACE) and neutral endopeptidase (NEP). Omapatrilat lowers blood pressure by inhibiting the action of the angiotensin converting enzyme (ACE), which causes blood vessels to constrict. But unlike other drugs, omapatrilat also inhibits another enzyme known as neutral endopeptidase (NEP), which helps blood vessels relax. Omapatrilat demonstrated greater reduction in blood pressure than the ACE inhibitor lisinopril in individuals with salt-sensitive hypertension who typically do not respond well to ACE inhibitors.","Absorption":"The absolute oral bioavailability of omapatrilat is 20% to 30% and the absorption is not affected by food intake.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB00887","Name":"Bumetanide","DrugType":"small molecule","HalfLife":"60-90 minutes","Description":"A sulfamyl diuretic. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of edema associated with congestive heart failure, hepatic and renal disease including the nephrotic syndrome.","Toxicity":"Overdosage can lead to acute profound water loss, volume and electrolyte depletion, dehydration, reduction of blood volume and circulatory collapse with a possibility of vascular thrombosis and embolism. Electrolyte depletion may be manifested by weakness, dizziness, mental confusion, anorexia, lethargy, vomiting and cramps. Treatment consists of replacement of fluid and electrolyte losses by careful monitoring of the urine and electrolyte output and serum electrolyte levels.","MechanismOfAction":"Bumetanide interferes with renal cAMP and/or inhibits the sodium-potassium ATPase pump. Bumetanide appears to block the active reabsorption of chloride and possibly sodium in the ascending loop of Henle, altering electrolyte transfer in the proximal tubule. This results in excretion of sodium, chloride, and water and, hence, diuresis.","Pharmacodynamics":"Bumetanide is a loop diuretic of the sulfamyl category to treat heart failure. It is often used in patients in whom high doses of furosemide are ineffective. There is however no reason not to use bumetanide as a first choice drug. The main difference between the two substances is in bioavailability. It is said to be a more predictable diuretic, meaning that the predictable absorption is reflected in a more predictable effect. Bumetanide is 40 times more potent than furosemide (for patients with normal renal function).","Absorption":"Bumetanide is completely absorbed (80%), and the absorption is not altered when taken with food. Bioavailability is almost complete.","Interactions":[{"ID":"DB00479"},{"ID":"DB00515"},{"ID":"DB00930"},{"ID":"DB01078"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00798"},{"ID":"DB01404"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01172"},{"ID":"DB00955"},{"ID":"DB01082"},{"ID":"DB00605"},{"ID":"DB00684"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00088","Drugs":["DB00151","DB00887","DB01345","DB03904"]}]},{"ID":"DB00888","Name":"Mechlorethamine","DrugType":"small molecule","HalfLife":"15 minutes","Description":"A vesicant and necrotizing irritant destructive to mucous membranes, mechlorethamine is an alkylating drug. It was formerly used as a war gas. The hydrochloride is used as an antineoplastic in Hodgkin's disease and lymphomas. It causes severe gastrointestinal and bone marrow damage. [PubChem]\r\n\r\nThe FDA granted marketing approval for the orphan drug Valchlor (mechlorethamine) gel on August 23, 2013 for the topical treatment of stage IA and IB mycosis fungoides-type cutaneous T-cell lymphoma (CTCL) in patients who have received prior skin-directed therapy. Each tube of Valchlor contains 0.016% of mechlorethamine which is equivalent to 0.02% mechlorethamine HCL. ","Classification":{"Description":"This compound belongs to the nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a phosphorus atom.","DirectParent":"Nitrogen Mustard Compounds","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Tertiary Amines"},"Indication":"For the palliative treatment of Hodgkin's disease (Stages III and IV), lymphosarcoma, chronic myelocytic or chronic lymphocytic leukemia, polycythemia vera, mycosis fungoides, and bronchogenic carcinoma. Also for the palliative treatment of metastatic carcinoma resulting in effusion.","Toxicity":"Symptoms of overexposure include severe leukopenia, anemia, thrombocytopenia, and a hemorrhagic diathesis with subsequent delayed bleeding may develop. Death may follow. The most common adverse reactions (≥5%) of the topical formulation are dermatitis, pruritus, bacterial skin infection, skin ulceration or blistering, and hyperpigmentation. The oral LD50 for a rat is 10 mg/kg. ","MechanismOfAction":"Alkylating agents work by three different mechanisms: 1) attachment of alkyl groups to DNA bases, resulting in the DNA being fragmented by repair enzymes in their attempts to replace the alkylated bases, preventing DNA synthesis and RNA transcription from the affected DNA, 2) DNA damage via the formation of cross-links (bonds between atoms in the DNA) which prevents DNA from being separated for synthesis or transcription, and 3) the induction of mispairing of the nucleotides leading to mutations. Mechlorethamine is cell cycle phase-nonspecific.","Pharmacodynamics":"Mechlorethamine also known as mustine, nitrogen mustard, and HN2, is the prototype anticancer chemotherapeutic drug. Successful clinical use of mechlorethamine gave birth to the field of anticancer chemotherapy. The drug is an analogue of mustard gas and was derived from toxic gas warfare research. It belongs to the group of nitrogen mustard alkylating agents. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death.","Absorption":"Partially absorbed following intracavitary administration, most likely due to rapid deactivation by body fluids. When it is topically administered, systemic exposure was undetectable. ","Interactions":[{"ID":"DB06769"},{"ID":"DB00072"}],"Salts":[{"ID":"DBSALT000904","Name":"Mechlorethamine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00889","Name":"Granisetron","DrugType":"small molecule","HalfLife":"4-6 hours in healthy patients, 9-12 hours in cancer patients","Description":"A serotonin receptor (5HT-3 selective) antagonist that has been used as an antiemetic and antinauseant for cancer chemotherapy patients. [PubChem]","Classification":{"Description":"This compound belongs to the indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.","DirectParent":"Indazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrazoles","SubClass":"Indazoles"},"Indication":"For the prevention of nausea and vomiting associated with initial and repeat courses of emetogenic cancer therapy (including high dose cisplatin), postoperation, and radiation (including total body irradiation and daily fractionated abdominal radiation).","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e\u0026gt;2000 mg/kg (rat, oral)","MechanismOfAction":"Granisetron is a potent, selective antagonist of 5-HT\u003csub\u003e3\u003c/sub\u003e receptors. The antiemetic activity of the drug is brought about through the inhibition of 5-HT3 receptors present both centrally (medullary chemoreceptor zone) and peripherally (GI tract). This inhibition of 5-HT3 receptors in turn inhibits the visceral afferent stimulation of the vomiting center, likely indirectly at the level of the area postrema, as well as through direct inhibition of serotonin activity within the area postrema and the chemoreceptor trigger zone.","Pharmacodynamics":"Granisetron is a selective inhibitor of type 3 serotonergic (5-HT\u003csub\u003e3\u003c/sub\u003e) receptors. Granisetron has little or no affinity for other serotonin receptors, including 5-HT 1 , 5-HT 1A , 5-HT 1B/C , or 5-HT 2 ; for alpha 1 -, alpha 2 -, or beta-adrenoreceptors; for dopamine D 2 receptors; for histamine H 1 receptors; for benzodiazepine receptors; for picrotoxin receptors; or for opioid receptors. In most human studies, granisetron has had little effect on blood pressure, heart rate, or electrocardiogram (ECG). The drug is structurally and pharmacologically related to ondansetron, another selective inhibitor of 5-HT\u003csub\u003e3\u003c/sub\u003e receptors. The serontonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptors are located on the nerve terminals of the vagus in the periphery, and centrally in the chemoreceptor trigger zone of the area postrema. The temporal relationship between the emetogenic action of emetogenic drugs and the release of serotonin, as well as the efficacy of antiemetic agents suggest that chemotherapeutic agents release serotonin from the enterochromaffin cells of the small intestine by causing degenerative changes in the GI tract. The serotonin then stimulates the vagal and splanchnic nerve receptors that project to the medullary vomiting center, as well as the 5-HT3 receptors in the area postrema, thus initiating the vomiting reflex, causing nausea and vomiting.","Absorption":"Absorption of is rapid and complete, though oral bioavailability is reduced to about 60% as a result of first pass metabolism.","Interactions":null,"Salts":[{"ID":"DBSALT000485","Name":"Granisetron Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00890","Name":"Dienestrol","DrugType":"small molecule","HalfLife":"","Description":"Dienestrol is a synthetic, non-steroidal estrogen. It is an estrogen receptor agonist. Estrogens work partly by increasing a normal clear discharge from the vagina and making the vulva and urethra healthy. Using or applying an estrogen relieves or lessens: dryness and soreness in the vagina, itching, redness, or soreness of the vulva. Conditions that are treated with vaginal estrogens include a genital skin condition (vulvar atrophy), inflammation of the vagina (atrophic vaginitis), and inflammation of the urethra (atrophic urethritis).","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For use in the treatment of atrophic vaginitis and kraurosis vulvae.","Toxicity":"Symptoms of overdose include nausea and vomiting, and withdrawal bleeding may occur in females.","MechanismOfAction":"Dienestrol is a synthetic, non-steroidal estrogen. Estrogens passively diffuse into target cells of responsive tissues, complex with the estrogen receptors, and enter the cell's nucleus to initiate or enhance gene transcription of protein synthesis after binding to DNA.","Pharmacodynamics":"Estrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH).\r\n\r\n","Absorption":"Systemic absorption and mode of action of dienestrol are undetermined.Estrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH).","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00891","Name":"Sulfapyridine","DrugType":"small molecule","HalfLife":"6-14 hours.","Description":"Antibacterial, potentially toxic, and previously used to treat certain skin diseases. No longer prescribed. ","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of dermatitis herpetiformis, benign mucous membrane pemphigoid and pyoderma gangrenosum","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e is 15800 mg/kg (orally in rats).","MechanismOfAction":"Sulfapyridine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid by means of processing the substrate para-aminobenzoic acid (PABA). Dihydropteroate synthetase activity is vital in the synthesis of folate, and folate is required for cells to make nucleic acids, such as DNA or RNA. So if DNA molecules cannot be built, the cell cannot divide.\r\n","Pharmacodynamics":"Sulfapyridine is a sulfonamide antibiotic. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"Approximately 60-80%","Interactions":[{"ID":"DB00672"},{"ID":"DB00563"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00892","Name":"Oxybuprocaine","DrugType":"small molecule","HalfLife":"","Description":"Oxybuprocaine is the name of a local anesthetic, which is used especially in ophthalmology and otolaryngology. Oxybuprocaine binds to sodium channels and reversibly stabilizes the neuronal membrane which decreases its permeability to sodium ions.","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Used to temporarily numb the front surface of the eye so that the eye pressure can be measured or a foreign body removed.","Toxicity":"","MechanismOfAction":"Oxybuprocaine binds to sodium channel and reversibly stabilizes the neuronal membrane which decreases its permeability to sodium ions. Depolarization of the neuronal membrane is inhibited thereby blocking the initiation and conduction of nerve impulses.","Pharmacodynamics":"Oxybuprocaine is a local anaesthetic. It may be less irritating than tetracaine, and the onset and duration of action are similar to tetracaine.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000226","Name":"Oxybuprocaine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00400","Drugs":["DB00368","DB00892","DB00988","DB01345","DB01373"]}]},{"ID":"DB00893","Name":"Iron Dextran","DrugType":"small molecule","HalfLife":"5 hours (some indications that it can be as long as 10 hours)","Description":"Iron dextran is a dark brown, slightly viscous liquid complex of ferric hydroxide and dextran for intravenous or intramuscular use. Iron Dextran is used for the treatment of patients with documented iron deficiency in which oral administration is unsatisfactory or impossible. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For treatment of patients with documented iron deficiency in whom oral administration is unsatisfactory or impossible. Also used to replenish body iron stores in Non-Dialysis Dependent-Chronic Kidney Disease (NDD-CKD) patients receiving or not receiving erythropoietin and in Hemodialysis Dependent (HDD-CKD) and Peritoneal Dialysis Dependent (PDD-CKD) - Chronic Kidney Disease patients receiving an erythropoietin.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 500 mg/kg (mouse, IV). Dosages of iron dextran in excess of the requirements for restoration of hemoglobin and replenishment of iron stores may lead to hemosiderosis. Cases of severe, sometimes fatal, allergic reactions (loss of consciousness, collapse, difficulty breathing, hives, swelling, or convulsions) and severe low blood pressure (hypotension) have been reported with the use of iron dextran.","MechanismOfAction":"After iron dextran is injected, the circulating iron dextran is removed from the plasma by cells of the reticuloendothelial system, which split the complex into its components of iron and dextran. The iron is immediately bound to the available protein moieties to form hemosiderin or ferritin, the physiological forms of iron, or to a lesser extent to transferrin. This iron which is subject to physiological control replenishes hemoglobin and depleted iron stores.","Pharmacodynamics":"Iron dextran is a dark brown, slightly viscous sterile liquid complex of ferric hydroxide and dextran for intravenous or intramuscular use. It is for treatment of patients with documented iron deficiency in whom oral administration is unsatisfactory or impossible. Iron is essential to the formation of hemoglobin and to the function and formation of other heme and nonheme compounds. Untreated depletion of iron stores leads to iron-deficient erythropoiesis and, in turn, to iron deficiency anemia.","Absorption":"The major portion of intramuscular injections of iron dextran is absorbed within 72 hours; most of the remaining iron is absorbed over the ensuing 3 to 4 weeks.","Interactions":[{"ID":"DB00630"},{"ID":"DB00537"},{"ID":"DB00720"},{"ID":"DB08826"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB06210"},{"ID":"DB00467"},{"ID":"DB01077"},{"ID":"DB01044"},{"ID":"DB01155"},{"ID":"DB00365"},{"ID":"DB00710"},{"ID":"DB01235"},{"ID":"DB01137"},{"ID":"DB00451"},{"ID":"DB00978"},{"ID":"DB00931"},{"ID":"DB00968"},{"ID":"DB01017"},{"ID":"DB00218"},{"ID":"DB00688"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB00595"},{"ID":"DB00487"},{"ID":"DB00859"},{"ID":"DB00884"},{"ID":"DB01405"},{"ID":"DB00759"},{"ID":"DB00685"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00894","Name":"Testolactone","DrugType":"small molecule","HalfLife":"","Description":"An antineoplastic agent that is a derivative of progesterone and used to treat advanced breast cancer. [PubChem]","Classification":{"Description":"This compound belongs to the naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moeity.","DirectParent":"Naphthopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthopyrans","SubClass":""},"Indication":"For palliative treatment of advanced breast cancer in postmenopausal women.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003es in mouse and dog are 1630 mg/kg and 593-926 mg/kg, respectively.","MechanismOfAction":"Although the precise mechanism by which testolactone produces its clinical antineoplastic effects has not been established, its principal action is reported to be inhibition of steroid aromatase activity and consequent reduction in estrone synthesis from adrenal androstenedione, the major source of estrogen in postmenopausal women. Based on in vitro studies, the aromatase inhibition may be noncompetitive and irreversible. This phenomenon may account for the persistence of testolactone's effect on estrogen synthesis after drug withdrawal.","Pharmacodynamics":"Testolactone is a synthetic anti-neoplastic agent that is structurally distinct from the androgen steroid nucleus in possessing a six-membered lactone ring in place of the usual five-membered carbocyclic D-ring. Despite some similarity to testosterone, testolactone has no in vivo androgenic effect. No other hormonal effects have been reported in clinical studies in patients receiving testolactone.","Absorption":"Testolactone is well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01418"},{"ID":"DB00091"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00895","Name":"Benzylpenicilloyl Polylysine","DrugType":"small molecule","HalfLife":"","Description":"Benzylpenicilloyl Polylysine is used as a skin-testing reagent to detect immunoglobulin E antibodies in people with a history of penicillin allergy. The quantitation of in vitro IgE antibodies to the benzylpenicilloyl determinant is a useful tool for evaluating allergic subjects.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For use as a adjunct in assessing the risk of administering penicillin (benzylpenicillin or penicillin G).","Toxicity":"Symptoms of overdose include urticaria, generalized pruritus, local swelling, generalized flushing, anaphylaxis, bronchospasm, fainting and maculopapular eruption.","MechanismOfAction":"The skin test for penicillin demonstrates the presence or absence of specific IgE antibodies to major and minor penicillin determinants. IgE antibodies to major determinants can be detected by using benzylpenicilloyl polylysine. A penicillin skin test predicts only the presence of IgE antibodies for the major or minor penicillin determinants at the time of application and does not predict the future development of IgE-mediated reactions during subsequent courses of penicillin. Benzylpenicilloyl polylysine reacts specifically with penicilloyl skin sensitizing antibodies (reagins) to produce immediate wheal and flare reactions which may reflect increased risk of allergic reactions to subsequent penicillin therapy.","Pharmacodynamics":"Benylpenicilloyl polylysine is penicilloyl bound to polylysine and is considered to be the major determinant of penicillin metabolism; it is used as a skin-testing reagent to detect immunoglobulin E antibodies in people with a history of penicillin allergy. If skin testing using benzylpenicilloyl and penicillin G (as the sole source of minor determinants) is negative, approximately 97% of patients with a negative skin test will tolerate penicillin.","Absorption":"","Interactions":[{"ID":"DB00748"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00896","Name":"Rimexolone","DrugType":"small molecule","HalfLife":"The serum half-life of rimexolone could not be reliably estimated due to the large number of samples below the quantitation limit of the assay (80 pg/mL). However, based on the time required to reach steady-state, the half-life appears to be short (1-2 hours).","Description":"Rimexolone is a glucocorticoid steroid used to treat inflammation in the eye. It is marketed as a 1% eye drop solution under the trade name Vexol","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"For the treatment of postoperative inflammation following ocular surgery and in the treatment of anterior uveitis.","Toxicity":"Symptoms of overdose include retinal toxicity, glaucoma, and subcapsular cataract.","MechanismOfAction":"Rimexolone is a glucocorticoid receptor agonist. The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition of arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. By binding to the glucocorticoid receptor, this drug ultimately leads to changes in genetic transcription involving the lipocortins and prostaglandins.","Pharmacodynamics":"Rimexolone is a glucocorticoid corticosteroid for systemic use. Corticosteroids suppress the inflammatory response to a variety of inciting agents of a mechanical, chemical, or immunological nature. They inhibit edema, cellular infiltration, capillary dilatation, fibroblastic proliferation, deposition of collagen and scar formation associated with inflammation.","Absorption":"Systemically absorbed.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00897","Name":"Triazolam","DrugType":"small molecule","HalfLife":"1.5-5.5 hours","Description":"Withdrawn in the United Kingdom due to risk of psychiatric adverse drug reactions. This drug continues to be available in the U.S. Internationally, triazolam is a Schedule IV drug under the Convention on Psychotropic Substances.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the short-term treatment of insomnia.","Toxicity":"Symptoms of overdose include drowsiness, slurred speech, motor inco-ordination, coma, and respiratory depression.","MechanismOfAction":"Benzodiazepines bind nonspecifically to bezodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABA\u003csub\u003eA\u003c/sub\u003e) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Pharmacodynamics":"A short-acting benzodiazepine used as a hypnotic agent in the treatment of insomnia. Some countries temporarily withdrew triazolam from the market because of concerns about adverse reactions, mostly psychological, associated with higher dose ranges. Its use at lower doses with appropriate care and labeling has been reaffirmed by the FDA and most other countries. Triazolam has a shorter half-life than chlordiazepoxide, flurazepam, and prazepam and does not generate active metabolites.","Absorption":"Bioavailability is 44% (oral) and 53% (sublingual).","Interactions":[{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00501"},{"ID":"DB01211"},{"ID":"DB00363"},{"ID":"DB00705"},{"ID":"DB00343"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB00745"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00252"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01323"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00898","Name":"Ethanol","DrugType":"small molecule","HalfLife":"","Description":"A clear, colorless liquid rapidly absorbed from the gastrointestinal tract and distributed throughout the body. It has bactericidal activity and is used often as a topical disinfectant. It is widely used as a solvent and preservative in pharmaceutical preparations as well as serving as the primary ingredient in alcoholic beverages. [PubChem]","Classification":{"Description":"This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).","DirectParent":"Primary alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen compounds","Class":"Alcohols and polyols","SubClass":"Primary alcohols"},"Indication":"For therapeutic neurolysis of nerves or ganglia for the relief of intractable chronic pain in such conditions as inoperable cancer and trigeminal neuralgia (tic douloureux), in patients for whom neurosurgical procedures are contraindicated.","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 5628 mg/kg. Symptoms and effects of overdose include nausea, vomiting, CNS depression, acute respiratory failure or death and with chronic use, severe health problems, such as liver and brain damage.","MechanismOfAction":"Ethanol affects the brain’s neurons in several ways. It alters their membranes as well as their ion channels, enzymes, and receptors. Alcohol also binds directly to the receptors for acetylcholine, serotonin, GABA, and the NMDA receptors for glutamate. \r\nThe sedative effects of ethanol are mediated through binding to GABA receptors and glycine receptors (alpha 1 and alpha 2 subunits). It also inhibits NMDA receptor functioning. In its role as an anti-infective, ethanol acts as an osmolyte or dehydrating agent that disrupts the osmotic balance across cell membranes.","Pharmacodynamics":"Alcohol produces injury to cells by dehydration and precipitation of the cytoplasm or protoplasm. This accounts for its bacteriocidal and antifungal action. When alcohol is injected in close proximity to nerve tissues, it produces neuritis and nerve degeneration (neurolysis). Ninety to 98% of ethanol that enters the body is completely oxidized. Ethanol is also used as a cosolvent to dissolve many insoluble drugs and to serve as a mild sedative in some medicinal formulations. Ethanol also binds to GABA, glycine, NMDA receptors and modulates their effects. Ethanol is also metabolised by the hepatic enzyme alcohol dehydrogenase.","Absorption":"Rapidly absorbed.","Interactions":[{"ID":"DB01048"},{"ID":"DB08872"},{"ID":"DB05528"},{"ID":"DB08883"},{"ID":"DB00697"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00449","Drugs":["DB00898","DB01593","DB03166"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB00899","Name":"Remifentanil","DrugType":"small molecule","HalfLife":"1-20 minutes","Description":"Remifentanil (marketed by Abbott as Ultiva) is a potent ultra short-acting synthetic opioid analgesic drug. It is given to patients during surgery to relieve pain and as an adjunct to an anaesthetic. Remifentanil is a specific mu-type-opioid receptor agonist. Hence, it causes a reduction in sympathetic nervous system tone, respiratory depression and analgesia.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For use during the induction and maintenance of general anesthesia.","Toxicity":"","MechanismOfAction":"Remifentanil is a \u0026micro;-opioid agonist with rapid onset and peak effect, and short duration of action. The \u0026micro;-opioid activity of remifentanil is antagonized by opioid antagonists such as naloxone.","Pharmacodynamics":"Remifentanil is an opioid agonist with rapid onset and peak effect and ultra-short duration of action. The opioid activity of remifentanil is antagonized by opioid antagonists such as naloxone. The analgesic effects of remifentanil are rapid in onset and offset. Its effects and side effects are dose dependent and similar to other opioids. Remifentanil in humans has a rapid blood-brain equilibration half-time of 1 \u0026plusmn; 1 minutes (mean \u0026plusmn; SD) and a rapid onset of action.","Absorption":"","Interactions":[{"ID":"DB00752"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00416","Drugs":["DB00368","DB00899","DB00988","DB01345","DB01373"]}]},{"ID":"DB00900","Name":"Didanosine","DrugType":"small molecule","HalfLife":"30 minutes in plasma and more than 12 hours in intracellular environment.","Description":"A dideoxynucleoside compound in which the 3\u0026#39;-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite. [PubChem]","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For use, in combination with other antiretroviral agents, in the treatment of HIV-1 infection in adults.","Toxicity":"Side effects include pancreatitis, peripheral neuropathy, diarrhea, hyperuricemia and hepatic dysfunction","MechanismOfAction":"Didanosine (ddI) is metabolized intracellularly by a series of cellular enzymes to its active moiety, dideoxyadenosine triphosphate (ddATP), which inhibits the HIV reverse transcriptase enzyme competitively by competing with natural dATP. It also acts as a chain terminator by its incorporation into viral DNA as the lack of a 3'-OH group in the incorporated nucleoside analogue prevents the formation of the 5' to 3' phosphodiester linkage essential for DNA chain elongation, and therefore, the viral DNA growth is terminated.","Pharmacodynamics":"Didanosine is a nucleoside reverse transcriptase inhibitor (NRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Didanosine differs from other nucleoside analogues, as it does not have any of the regular bases, instead it has hypoxanthine attached to the sugar ring. Didanosine is phosphorylated to active metabolites that compete for incorporation into viral DNA. They inhibit the HIV reverse transcriptase enzyme competitively and act as a chain terminator of DNA synthesis. Didanosine is effective against HIV, and usually used in combination with other antiviral therapy. Switching from long term AZT treatment to didanosine has been shown to be beneficial. Didanosine has weak acid stability and therefore, it is often combined with an antacid.","Absorption":"Rapidly absorbed (bioavailability 30-40%) with peak plasma concentrations appearing within 0.5 and 1.5 hrs.","Interactions":[{"ID":"DB01004"},{"ID":"DB00300"},{"ID":"DB00932"},{"ID":"DB00684"},{"ID":"DB00685"},{"ID":"DB01610"},{"ID":"DB00582"},{"ID":"DB00943"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00739","Drugs":["DB00900"]}]},{"ID":"DB00901","Name":"Bitolterol","DrugType":"small molecule","HalfLife":"","Description":"Bitolterol mesylate is a beta-2-adrenergic receptor agonist used for the relief of bronchospasm in conditions such as asthma and COPD. Bitolterol was withdrawn from the market by Elan Pharmaceuticals in 2001. [Wikipedia]","Classification":{"Description":"This compound belongs to the depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound contaning the depsidone structure (depsidone).","DirectParent":"Depsides and Depsidones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Depsides and Depsidones","SubClass":""},"Indication":"Used to dilate air passages in the lungs that have become narrowed as a result of disease or inflammation. It is used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).","Toxicity":"","MechanismOfAction":"Bitolterol is an adrenergic beta-2 agonist. Asthma results from a narrowing of the bronchial tubes. This narrowing is caused by muscle spasm and inflammation within the bronchial tubes. Agonism of the beta-2 adrenergic receptors by bitolterol leads to a relaxation of the smooth muscles surrounding these airway tubes which then increases the diameter and ease of air flow through the tubes.","Pharmacodynamics":"Bitolterol, an adrenergic bronchodilator, is a prodrug that widens constricted airways in the lungs by relaxing the smooth muscles that surround the bronchial passages. Bitolterol probably does not affect the inflammation in the lung, such as in bronchitis. Bitolterol is unique in that it is a prodrug because it must first be metabolized by the body before it becomes active.","Absorption":"","Interactions":[{"ID":"DB00494"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00902","Name":"Methdilazine","DrugType":"small molecule","HalfLife":"","Description":"Methdilazine is a phenothiazine compound with antihistaminic activity. It is used in the treatment of various dermatoses to relieve pruritus.","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Used for the symptomatic relief of hypersensitivity reactions and particularly for the control of pruritic skin disorders","Toxicity":"Symptoms of overdose include clumsiness or unsteadiness, convulsions, drowsiness, dryness of mouth, nose, or throat, feeling faint, flushing or redness of face, hallucinations, muscle spasms (especially of neck and back), restlessness, shortness of breath or troubled breathing, shuffling walk, tic-like movements of head and face, trembling and shaking of hands, and trouble in sleeping.","MechanismOfAction":"Methdilazine binds to the histamine H\u003csub\u003e1\u003c/sub\u003e receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"In allergic reactions an allergen interacts with and cross-links surface IgE antibodies on mast cells and basophils. Once the mast cell-antibody-antigen complex is formed, a complex series of events occurs that eventually leads to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H\u003csub\u003e1\u003c/sub\u003e-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Methdilazine is a histamine H\u003csub\u003e1\u003c/sub\u003e antagonist. It competes with histamine for the normal H\u003csub\u003e1\u003c/sub\u003e-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.","Absorption":"Well absorbed in the digestive tract.","Interactions":[{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01170"},{"ID":"DB00579"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00342"}],"Salts":[{"ID":"DBSALT000486","Name":"Methdilazine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00903","Name":"Ethacrynic acid","DrugType":"small molecule","HalfLife":"","Description":"A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic. [PubChem]","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"For the treatment of high blood pressure and edema caused by diseases like congestive heart failure, liver failure, and kidney failure.","Toxicity":"Overdosage may lead to excessive diuresis with electrolyte depletion.","MechanismOfAction":"Ethacrynic acid inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. Diuretics also lower blood pressure initially by reducing plasma and extracellular fluid volume; cardiac output also decreases, explaining its antihypertensive action. Eventually, cardiac output returns to normal with an accompanying decrease in peripheral resistance. Its mode of action does not involve carbonic anhydrase inhibition.","Pharmacodynamics":"Ethacrynic acid is a monosulfonamyl loop or high ceiling diuretic. Ethacrynic acid acts on the ascending limb of the loop of Henle and on the proximal and distal tubules. Urinary output is usually dose dependent and related to the magnitude of fluid accumulation. Water and electrolyte excretion may be increased several times over that observed with thiazide diuretics, since ethacrynic acid inhibits reabsorption of a much greater proportion of filtered sodium than most other diuretic agents. Therefore, ethacrynic acid is effective in many patients who have significant degrees of renal insufficiency. Ethacrynic acid has little or no effect on glomerular filtration or on renal blood flow, except following pronounced reductions in plasma volume when associated with rapid diuresis.","Absorption":"Onset of action is rapid, usually within 30 minutes after an oral dose of ethacrynic acid or within 5 minutes after an intravenous injection of ethacrynic acid.","Interactions":[{"ID":"DB00479"},{"ID":"DB00515"},{"ID":"DB00930"},{"ID":"DB01078"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00798"},{"ID":"DB01404"},{"ID":"DB01050"},{"ID":"DB05039"},{"ID":"DB00328"},{"ID":"DB01172"},{"ID":"DB00955"},{"ID":"DB01082"},{"ID":"DB00605"},{"ID":"DB00684"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00097","Drugs":["DB00151","DB00903","DB01345","DB03904"]}]},{"ID":"DB00904","Name":"Ondansetron","DrugType":"small molecule","HalfLife":"5.7 hours","Description":"A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties. [PubChem]","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"For the prevention of nausea and vomiting associated with emetogenic cancer chemotherapy, postoperation, and radiation. Also used for the treatment of postoperative nausea and vomiting.","Toxicity":"Low blood pressure and fainting, sudden blindness, severe constipation","MechanismOfAction":"Ondansetron is a selective serotonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonist. The antiemetic activity of the drug is brought about through the inhibition of 5-HT\u003csub\u003e3\u003c/sub\u003e receptors present both centrally (medullary chemoreceptor zone) and peripherally (GI tract). This inhibition of 5-HT\u003csub\u003e3\u003c/sub\u003e receptors in turn inhibits the visceral afferent stimulation of the vomiting center, likely indirectly at the level of the area postrema, as well as through direct inhibition of serotonin activity within the area postrema and the chemoreceptor trigger zone.","Pharmacodynamics":"Ondansetron is a highly specific and selective serotonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonist, not shown to have activity at other known serotonin receptors and with low affinity for dopamine receptors. The serontonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptors are located on the nerve terminals of the vagus in the periphery, and centrally in the chemoreceptor trigger zone of the area postrema. The temporal relationship between the emetogenic action of emetogenic drugs and the release of serotonin, as well as the efficacy of antiemetic agents suggest that chemotherapeutic agents release serotonin from the enterochromaffin cells of the small intestine by causing degenerative changes in the GI tract. The serotonin then stimulates the vagal and splanchnic nerve receptors that project to the medullary vomiting center, as well as the 5-HT\u003csub\u003e3\u003c/sub\u003e receptors in the area postrema, thus initiating the vomiting reflex, causing nausea and vomiting.","Absorption":"Ondansetron is well absorbed after oral administration and undergoes limited first-pass metabolism.","Interactions":[{"ID":"DB06216"},{"ID":"DB08865"},{"ID":"DB04953"},{"ID":"DB05039"},{"ID":"DB06589"},{"ID":"DB06402"}],"Salts":[{"ID":"DBSALT000921","Name":"Ondansetron hydrochloride dihydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00905","Name":"Bimatoprost","DrugType":"small molecule","HalfLife":"Elimination half-life is approximately 45 minutes.","Description":"Bimatoprost ophthalmic solution is a topical medication used for controlling the progression of glaucoma or ocular hypertension, by reducing intraocular pressure. It is a prostaglandin analogue that works by increasing the outflow of aqueous fluid from the eyes. It binds to the prostanoid FP receptor.","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"For the reduction of elevated intraocular pressure in patients with open angle glaucoma or ocular hypertension who are intolerant of other intraocular pressure lowering medications or insufficiently responsive (failed to achieve target IOP determined after multiple measurements over time) to another intraocular pressure lowering medication.","Toxicity":"In oral (by gavage) mouse and rat studies, doses up to 100 mg/kg/day did not produce any toxicity. This dose expressed as mg/m\u003csup\u003e2\u003c/sup\u003e is at least 70 times higher than the accidental dose of one bottle of bimatoprost for a 10 kg child.","MechanismOfAction":"Bimatoprost is believed to lower intraocular pressure (IOP) in humans by increasing outflow of aqueous humor through both the trabecular meshwork and uveoscleral routes. Bimatoprost reduces the pressure in the eye by mimicking the action of a naturally-occuring prostaglandin. Prostaglandins are a group of chemicals found in many places in the body. In the eye, they increase the drainage of the aqueous humour out of the eyeball. Bimatoprost is a synthetic compound related to one of the natural prostaglandins, and works by increasing the drainage of aqueous humour out of the eyeball. Bimatoprost may also lower the rate of aqueous formation in the eye. Both these effects decrease the pressure within the eye.","Pharmacodynamics":"Bimatoprost is a prostamide, a synthetic structural analog of prostaglandin with ocular hypotensive activity, that is chemically related to prostamide F. It selectively mimics the effects of naturally occurring substances, prostamides. Bimatoprost lowers intraocular pressure (IOP) in humans. Elevated IOP presents a major risk factor for glaucomatous field loss. The higher the level of IOP, the greater the likelihood of optic nerve damage and visual field loss.","Absorption":"Systemically absorbed when administered to the eye.","Interactions":[{"ID":"DB00654"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00906","Name":"Tiagabine","DrugType":"small molecule","HalfLife":"7-9 hours","Description":"Tiagabine is an anti-convulsive medication. It is also used in the treatment for panic disorder as are a few other anticonvulsants. Though the exact mechanism by which tiagabine exerts its effect on the human body is unknown, it does appear to operate as a selective GABA reuptake inhibitor.","Classification":{"Description":"This compound belongs to the piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.","DirectParent":"Piperidinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Piperidinecarboxylic Acids and Derivatives"},"Indication":"For the treatment of partial seizures","Toxicity":"mptoms most often accompanying tiagabine overdose, alone or in combination with other drugs, have included: seizures including status epilepticus in patients with and without underlying seizure disorders, nonconvulsive status epilepticus, coma, ataxia, confusion, somnolence, drowsiness, impaired speech, agitation, lethargy, myoclonus, spike wave stupor, tremors, disorientation, vomiting, hostility, and temporary paralysis. Respiratory depression was seen in a number of patients, including children, in the context of seizures.","MechanismOfAction":"Though the exact mechanism by which Tiagabine exerts its effect on the human body is unknown, it does appear to operate as a selective GABA reuptake inhibitor.","Pharmacodynamics":"Tiagabine is used primarily as an anticonvulsant for the adjunctive treatment of epilepsy. The precise mechanism by which Tiagabine exerts its antiseizure effect is unknown, although it is believed to be related to its ability to enhance the activity of gamma aminobutyric acid (GABA), the major inhibitory neurotransmitter in the central nervous system. Tiagabine binds to recognition sites associated with the GABA uptake carrier. It is thought that, by this action, Tiagabine blocks GABA uptake into presynaptic neurons, permitting more GABA to be available for receptor binding on the surfaces of post-synaptic cells.","Absorption":"Tiagabine is nearly completely absorbed (\u003e95%).","Interactions":[{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB00358"},{"ID":"DB01110"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01263"},{"ID":"DB00908"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00907","Name":"Cocaine","DrugType":"small molecule","HalfLife":"1 hour","Description":"An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake. [PubChem]","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the introduction of local (topical) anesthesia of accessible mucous membranes of the oral, laryngeal and nasal cavities.","Toxicity":"Intense agitation, convulsions, hypertension, rhythm disturbance, coronary insufficiency, hyperthermia, rhabdomyolysis, and renal impairment. Oral mouse LD\u003csub\u003e50\u003c/sub\u003e = 96 mg/kg","MechanismOfAction":"Cocaine produces anesthesia by inhibiting excitation of nerve endings or by blocking conduction in peripheral nerves. This is achieved by reversibly binding to and inactivating sodium channels. Sodium influx through these channels is necessary for the depolarization of nerve cell membranes and subsequent propagation of impulses along the course of the nerve. Cocaine is the only local anesthetic with vasoconstrictive properties. This is a result of its blockade of norepinephrine reuptake in the autonomic nervous system. Cocaine binds differentially to the dopamine, serotonin, and norepinephrine transport proteins and directly prevents the re-uptake of dopamine, serotonin, and norepinephrine into pre-synaptic neurons. Its effect on dopamine levels is most responsible for the addictive property of cocaine.","Pharmacodynamics":"Cocaine is a local anesthetic indicated for the introduction of local (topical) anesthesia of accessible mucous membranes of the oral, laryngeal and nasal cavities.","Absorption":"Cocaine is absorbed from all sites of application, including mucous membranes and gastrointestinal mucosa. By oral or intra-nasal route, 60 to 80% of cocaine is absorbed.","Interactions":[{"ID":"DB00289"},{"ID":"DB00822"},{"ID":"DB04946"},{"ID":"DB06704"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB04844"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00395","Drugs":["DB00368","DB00907","DB00988","DB01345","DB01373"]}]},{"ID":"DB00908","Name":"Quinidine","DrugType":"small molecule","HalfLife":"6-8 hours","Description":"An optical isomer of quinine, extracted from the bark of the Cinchona tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular action potential, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission. [PubChem]","Classification":{"Description":"This compound belongs to the cinchona alkaloids. These are alkaloids structurally characterized by the presence of the cinchonan skeleton, which consists of a quinoline linked to an azabicyclo[2.2.2]octane moiety.","DirectParent":"Cinchona Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Cinchona Alkaloids","SubClass":""},"Indication":"For the treatment of ventricular pre-excitation and cardiac dysrhythmias","Toxicity":"","MechanismOfAction":"Quinidine acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. The antiarrhythmic actions are mediated through effects on sodium channels in Purkinje fibers. Quinidine may also act on the slow inward calcium current (ICa), the rapid (IKr) and slow (IKs) components of the delayed potassium rectifier current, the inward potassium rectifier current (IKI), the ATP-sensitive potassium channel (IKATP) and Ito.","Pharmacodynamics":"Quinidine, a hydantoin anticonvulsant, is used alone or with phenobarbital or other anticonvulsants to manage tonic-clonic seizures, psychomotor seizures, neuropathic pain syndromes including diabetic neuropathy, digitalis-induced cardiac arrhythmias, and cardiac arrhythmias associated with QT-interval prolongation.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB06274"},{"ID":"DB00594"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB01238"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00289"},{"ID":"DB00732"},{"ID":"DB01558"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00318"},{"ID":"DB08865"},{"ID":"DB06695"},{"ID":"DB01219"},{"ID":"DB01151"},{"ID":"DB00514"},{"ID":"DB00266"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB01551"},{"ID":"DB01341"},{"ID":"DB00343"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB08868"},{"ID":"DB01320"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00458"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01137"},{"ID":"DB06708"},{"ID":"DB01378"},{"ID":"DB01397"},{"ID":"DB00933"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB01336"},{"ID":"DB00218"},{"ID":"DB00220"},{"ID":"DB01115"},{"ID":"DB00540"},{"ID":"DB01165"},{"ID":"DB01337"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01263"},{"ID":"DB00794"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB00418"},{"ID":"DB01390"},{"ID":"DB01208"},{"ID":"DB00202"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00306"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00599"},{"ID":"DB00679"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB01339"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB06684"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000363","Name":"Quinidine Sulfate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00323","Drugs":["DB00908","DB01345","DB01373"]}]},{"ID":"DB00909","Name":"Zonisamide","DrugType":"small molecule","HalfLife":"63 hours","Description":"Zonisamide is a sulfonamide anticonvulsant approved for use as an adjunctive therapy in adults with partial-onset seizures. Zonisamide may be a carbonic anhydrase inhibitor although this is not one of the primary mechanisms of action. Zonisamide may act by blocking repetitive firing of voltage-gated sodium channels leading to a reduction of T-type calcium channel currents, or by binding allosterically to GABA receptors. This latter action may inhibit the uptake of the inhibitory neurotransmitter GABA while enhancing the uptake of the excitatory neurotransmitter glutamate.","Classification":{"Description":"This compound belongs to the benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring.","DirectParent":"Benzisoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzisoxazoles","SubClass":""},"Indication":"For use as adjunctive treatment of partial seizures in adults with epilepsy.","Toxicity":"Symptoms of overdose include diminished breathing, loss of consciousness, low blood pressure, and slow heartbeat.","MechanismOfAction":"Zonisamide binds to sodium channels and voltage sensitive calcium channels, which suppresses neuronal depolarization and hypersynchronization. Zonisamide also inhibits carbonic anhydrase to a weaker extent, but such an effect is not thought to contribute substantially to the drug's anticonvulsant activity.","Pharmacodynamics":"Zonisamide is an antiseizure drug chemically classified as a sulfonamide and unrelated to other antiseizure agents. The precise mechanism by which zonisamide exerts its antiseizure effect is unknown, although it is believed that the drug blocks sodium and calcium channels, which leads to the suppression of neuronal hypersynchronization (i.e. convulsions). Sonisamide has also been found to potentiate dopaminergic and serotonergic neurotransmission but does not appear to potentiate syanptic activity by GABA (gamma amino butyric acid).","Absorption":"Variable, yet relatively rapid rate of absorption with a time to peak concentration of 2.8-3.9 hours. Food has no effect on the bioavailability of zonisamide.","Interactions":[{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB01194"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB00358"},{"ID":"DB01403"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01263"},{"ID":"DB00908"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00910","Name":"Paricalcitol","DrugType":"small molecule","HalfLife":"4 to 6 hours","Description":"Paricalcitol is a synthetic vitamin D analog. Paricalcitol has been used to reduce parathyroid hormone levels. Paricalcitol is indicated for the prevention and treatment of secondary hyperparathyroidism associated with chronic renal failure.","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"For treatment of secondary hyperparathyroidism associated with chronic kidney disease (CKD) Stage 3 and 4","Toxicity":"","MechanismOfAction":"Paricalcitol is a synthetic, biologically active vitamin D analog of calcitriol with modifications to the side chain (D2) and the A (19-nor) ring. Preclinical andin vitro studies have demonstrated that paricalcitol's biological actions are mediated through binding of the VDR, which results in the selective activation of vitamin D responsive pathways. Vitamin D and paricalcitol have been shown to reduce parathyroid hormone levels by inhibiting PTH synthesis and secretion.","Pharmacodynamics":"Secondary hyperparathyroidism is characterized by an elevation in parathyroid hormone (PTH) associated with inadequate levels of active vitamin D hormone. The source of vitamin D in the body is from synthesis in the skin and from dietary intake. Vitamin D requires two sequential hydroxylations in the liver and the kidney to bind to and to activate the vitamin D receptor (VDR). The endogenous VDR activator, calcitriol [1,25(OH)2 D3], is a hormone that binds to VDRs that are present in the parathyroid gland, intestine, kidney, and bone to maintain parathyroid function and calcium and phosphorus homeostasis, and to VDRs found in many other tissues, including prostate, endothelium and immune cells. VDR activation is essential for the proper formation and maintenance of normal bone. In the diseased kidney, the activation of vitamin D is diminished, resulting in a rise of PTH, subsequently leading to secondary hyperparathyroidism and disturbances in the calcium and phosphorus homeostasis.1 Decreased levels of 1,25(OH)2 D3 have been observed in early stages of chronic kidney disease. The decreased levels of 1,25(OH)2 D3 and resultant elevated PTH levels, both of which often precede abnormalities in serum calcium and phosphorus, affect bone turnover rate and may result in renal osteodystrophy. An in vitro study indicates that paricalcitol is not an inhibitor of CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP2E1 or CYP3A at concentrations up to 50 nM (21 ng/mL).","Absorption":"Well absorbed","Interactions":[{"ID":"DB00169"},{"ID":"DB00930"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00911","Name":"Tinidazole","DrugType":"small molecule","HalfLife":"Elimination half-life is 13.2 \u0026plusmn; 1.4 hours. Plasma half-life is 12 to 14 hours.","Description":"A nitroimidazole antitrichomonal agent effective against Trichomonas vaginalis, Entamoeba histolytica, and Giardia lamblia infections. [PubChem]","Classification":{"Description":"This compound belongs to the nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.","DirectParent":"Nitroimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"For the treatment of trichomoniasis caused by \u003ci\u003eT. vaginalis\u003c/i\u003e in both female and male patients. Also for the treatment of giardiasis caused by \u003ci\u003eG. duodenalis\u003c/i\u003e in both adults and pediatric patients older than three years of age and for the treatment of intestinal amebiasis and amebic liver abscess caused by \u003ci\u003eE. histolytica\u003c/i\u003e in both adults and pediatric patients older than three years of age.","Toxicity":"There are no reported overdoses with tinidazole in humans. In acute studies with mice and rats, the LD 50 for mice was generally \u003e 3,600 mg/kg for oral administration and was \u003e 2,300 mg/kg for intraperitoneal administration. In rats, the LD 50 was \u003e 2,000 mg/kg for both oral and intraperitoneal administration.","MechanismOfAction":"Tinidazole is a prodrug and antiprotozoal agent. The nitro group of tinidazole is reduced in \u003ci\u003eTrichomonas\u003c/i\u003e by a ferredoxin-mediated electron transport system. The free nitro radical generated as a result of this reduction is believed to be responsible for the antiprotozoal activity. It is suggested that the toxic free radicals covalently bind to DNA, causing DNA damage and leading to cell death. The mechanism by which tinidazole exhibits activity against \u003ci\u003eGiardia\u003c/i\u003e and \u003ci\u003eEntamoeba\u003c/i\u003e species is not known, though it is probably similar.","Pharmacodynamics":"Tinidazole is a synthetic antiprotozoal agent. Tinidazole demonstrates activity both in vitro and in clinical infections against the following protozoa: \u003ci\u003eTrichomonas vaginalis\u003c/i\u003e, \u003ci\u003eGiardia duodenalis\u003c/i\u003e (also termed \u003ci\u003eG. lamblia\u003c/i\u003e), and \u003ci\u003eEntamoeba histolytica\u003c/i\u003e. Tinidazole does not appear to have activity against most strains of vaginal lactobacilli.","Absorption":"Rapidly and completely absorbed under fasting conditions. Administration with food results in a delay in T\u003csub\u003emax\u003c/sub\u003e of approximately 2 hours and a decline in C\u003csub\u003emax\u003c/sub\u003e of approximately 10% and an AUC of 901.6 \u0026plusmn; 126.5 mcg hr/mL.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00912","Name":"Repaglinide","DrugType":"small molecule","HalfLife":"1 hour","Description":"Repaglinide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the meglitinide class of short-acting insulin secretagogues, which act by binding to β cells of the pancreas to stimulate insulin release. Repaglinide induces an early insulin response to meals decreasing postprandial blood glucose levels. It should only be taken with meals and meal-time doses should be skipped with any skipped meal. Approximately one month of therapy is required before a decrease in fasting blood glucose is seen. Meglitnides may have a neutral effect on weight or cause a slight increase in weight. The average weight gain caused by meglitinides appears to be lower than that caused by sulfonylureas and insulin and appears to occur only in those naïve to oral antidiabetic agents. Due to their mechanism of action, meglitinides may cause hypoglycemia although the risk is thought to be lower than that of sulfonylureas since their action is dependent on the presence of glucose. In addition to reducing postprandial and fasting blood glucose, meglitnides have been shown to decrease glycosylated hemoglobin (HbA1c) levels, which are reflective of the last 8-10 weeks of glucose control. Meglitinides appear to be more effective at lowering postprandial blood glucose than metformin, sulfonylureas and thiazolidinediones. Repaglinide is extensively metabolized in the liver and excreted in bile. Repaglinide metabolites do not possess appreciable hypoglycemic activity. Approximately 90% of a single orally administered dose is eliminated in feces and 8% in urine. ","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"As an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e \u003e1 g/kg (rat) (W. Grell)","MechanismOfAction":"Repaglinide activity is dependent on the presence functioning \u0026beta; cells and glucose. In contrast to sulfonylurea insulin secretatogogues, repaglinide has no effect on insulin release in the absence of glucose. Rather, it potentiates the effect of extracellular glucose on ATP-sensitive potassium channel and has little effect on insulin levels between meals and overnight. As such, repaglinide is more effective at reducing postprandial blood glucose levels than fasting blood glucose levels and requires a longer duration of therapy (approximately one month) before decreases in fasting blood glucose are observed. The insulinotropic effects of repaglinide are highest at intermediate glucose levels (3 to 10 mmol/L) and it does not increase insulin release already stimulated by high glucose concentrations (greater than 15 mmol/L). Repaglinide appears to be selective for pancreatic \u0026beta; cells and does not appear to affect skeletal or cardiac muscle or thyroid tissue. ","Pharmacodynamics":"Insulin secretion by pancreatic \u0026beta; cells is partly controlled by cellular membrane potential. Membrane potential is regulated through an inverse relationship between the activity of cell membrane ATP-sensitive potassium channels (ABCC8) and extracellular glucose concentrations. Extracellular glucose enters the cell via GLUT2 (SLC2A2) transporters. Once inside the cell, glucose is metabolized to produce ATP. High concentrations of ATP inhibit ATP-sensitive potassium channels causing membrane depolarization. When extracellular glucose concentrations are low, ATP-sensitive potassium channels open causing membrane repolarization. High glucose concentrations cause ATP-sensitive potassium channels to close resulting in membrane depolarization and opening of L-type calcium channels. The influx of calcium ions stimulates calcium-dependent exocytosis of insulin granules. Repaglinide increases insulin release by inhibiting ATP-sensitive potassium channels in a glucose-dependent manner. ","Absorption":"Rapidly and completely absorbed following oral administration. Peak plasma concentrations are observed within 1 hour (range 0.5-1.4 hours). The absolute bioavailability is approximately 56%. Maximal biological effect is observed within 3-3.5 hours and plasma insulin levels remain elevated for 4-6 hours. When a single 2 mg dose of repaglinide is given to healthy subjects, the area under the curve (AUC) is 18.0 - 18.7 (ng/mL/h)^3. ","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB01211"},{"ID":"DB00091"},{"ID":"DB00199"},{"ID":"DB00187"},{"ID":"DB01095"},{"ID":"DB01241"},{"ID":"DB01296"},{"ID":"DB01321"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00175"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB00489"},{"ID":"DB00976"},{"ID":"DB00373"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00454","Drugs":["DB00912","DB01345","DB01373"]}]},{"ID":"DB00913","Name":"Anileridine","DrugType":"small molecule","HalfLife":"","Description":"Anileridine is a synthetic opioid and strong analgesic medication. It is a narcotic pain reliever used to treat moderate to severe pain. Narcotic analgesics act in the central nervous system (CNS) to relieve pain. Some of their side effects are also caused by actions in the CNS.","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"For treatment and management of pain (systemic) and for use as an anesthesia adjunct.","Toxicity":"Symptoms of overexposure include dizziness, perspiration, a feeling of warmth, dry mouth, visual difficulty, itching, euphoria, restlessness, nervousness and excitement have been reported.","MechanismOfAction":"Opiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Opioids such as anileridine close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Anileridine, a potent analgesic, is an analog of pethidine. Anileridine is useful for the relief of moderate to severe pain. It may also be used as an analgesic adjunct in general anesthesia in the same manner as meperidine to reduce the amount of anesthetic needed, to facilitate relaxation, and to reduce laryngospasm. In addition, anileridine exerts mild antihistaminic, spasmolytic and antitussive effects. Anileridine's main pharmacologic action is exerted on the CNS. Respiratory depression, when it occurs, is of shorter duration than that seen with morphine or meperidine when equipotent analgesic doses are used.","Absorption":"Anileridine is absorbed by all routes of administration.","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00674","Drugs":["DB00368","DB00913","DB00988","DB01345","DB01373"]}]},{"ID":"DB00914","Name":"Phenformin","DrugType":"small molecule","HalfLife":"","Description":"A biguanide hypoglycemic agent with actions and uses similar to those of metformin. Although it is generally considered to be associated with an unacceptably high incidence of lactic acidosis, often fatal, it is still available in some countries. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290)","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the reatment of type II diabetes mellitus.","Toxicity":"","MechanismOfAction":"Phenformin binds to the AMP-activated protein kinase (AMPK). AMPK is an ultra-sensitive cellular energy sensor that monitors energy consumption and down-regulates ATP-consuming processes when activated. The biguanide phenformin has been shown to independently decrease ion transport processes, influence cellular metabolism and activate AMPK. Phenformin's hypoglycemic activity is related the effect it has in activating AMPK and fooling insulin sensitive cells into thinking that insulin levels are low and causing the body to use glucose as if in a state of low caloric consumption. This drug also seems to inhibit several varients of ATP-sensitive potassium channels (namely the receptor subtype Kir6.1).","Pharmacodynamics":"Used to treat diabetes, phenformin is a biguanide (contains 2 guanidino groups) hypoglycemic agent with actions and uses similar to those of metformin (Glucophage). Both drugs work by (1) decreasing the absorption of glucose by the intestines, (2) decreasing the production of glucose in the liver, and by (3) increasing the body's ability to use insulin more effectively. More specifically, phenformin improves glycemic control by improving insulin sensitivity. Phenformin is generally considered to be associated with an unacceptably high incidence of actic acidosis. In general biguanides should be used only in stable type II diabetics who are free of liver, kidney and cardiovascular problems and who cannot be controlled with diet.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000273","Name":"Phenformin Hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00915","Name":"Amantadine","DrugType":"small molecule","HalfLife":"Mean half-lives ranged from 10 to 14 hours, however renal function impairment causes a severe increase in half life to 7 to 10 days.","Description":"An antiviral that is used in the prophylactic or symptomatic treatment of influenza A. It is also used as an antiparkinsonian agent, to treat extrapyramidal reactions, and for postherpetic neuralgia. The mechanisms of its effects in movement disorders are not well understood but probably reflect an increase in synthesis and release of dopamine, with perhaps some inhibition of dopamine uptake. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For the chemoprophylaxis, prophylaxis, and treatment of signs and symptoms of infection caused by various strains of influenza A virus. Also for the treatment of parkinsonism and drug-induced extrapyramidal reactions.","Toxicity":"Deaths have been reported from overdose with amantadine. The lowest reported acute lethal dose was 2 grams. Drug overdose has resulted in cardiac, respiratory, renal or central nervous system toxicity. Cardiac dysfunction includes arrhythmia, tachycardia and hypertension. Pulmonary edema and respiratory distress (including ARDS) have been reported. Renal dysfunction including increased BUN, decreased creatinine clearance and renal insufficiency can occur. Central nervous system effects that have been reported include insomnia, anxiety, aggressive behavior, hypertonia, hyperkinesia, tremor, confusion, disorientation, depersonalization, fear, delirium, hallucination, psychotic reactions, lethargy, somnolence and coma. Seizures may be exacerbated in patients with prior history of seizure disorders. Hyperthermia has also been observed in cases where a drug overdose has occurred.","MechanismOfAction":"The mechanism of its antiparkinsonic effect is not fully understood, but it appears to be releasing dopamine from the nerve endings of the brain cells, together with stimulation of norepinephrine response. It also has NMDA receptor antagonistic effects. The antiviral mechanism seems to be unrelated. The drug interferes with a viral protein, M2 (an ion channel), which is needed for the viral particle to become \"uncoated\" once it is taken inside the cell by endocytosis.","Pharmacodynamics":"Amantadine is an antiviral drug which also acts as an antiparkinson agent, for which it is usually combined with L-DOPA when L-DOPA responses decline (probably due to tolerance). It is a derivate of adamantane, like a similar drug rimantadine. The mechanism of action of amantadine in the treatment of Parkinson's disease and drug-induced extrapyramidal reactions is not known. It has been shown to cause an increase in dopamine release in the animal brain, and does not possess anticholinergic activity.","Absorption":"Amantadine is well absorbed orally from the gastrointestinal tract.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB01043"},{"ID":"DB01267"},{"ID":"DB00989"},{"ID":"DB01623"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000203","Name":"Amantadine hydrochloride"},{"ID":"DBSALT000830","Name":"Amantadine sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00916","Name":"Metronidazole","DrugType":"small molecule","HalfLife":"6-8 hours","Description":"A nitroimidazole used to treat amebiasis; vaginitis; trichomonas infections; giardiasis; anaerobic bacteria; and treponemal infections. It has also been proposed as a radiation sensitizer for hypoxic cells. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985, p133), this substance may reasonably be anticipated to be a carcinogen (Merck, 11th ed).","Classification":{"Description":"This compound belongs to the nitroimidazoles. These are compounds containing an imidazole ring which bears a nitro group.","DirectParent":"Nitroimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"For the treatment of anaerobic infections and mixed infections, surgical prophylaxis requiring anaerobic coverage, Clostridium difficile-associated diarrhea and colitis, Helicobacter pylori infection and duodenal ulcer disease, bacterial vaginosis, Giardia lamblia gastro-enteritis, amebiasis caused by Entamoeba histolytica, acne rosacea (topical treatment), and Trichomonas infections.","Toxicity":"LD50=500 mg/kg/day (orally in rat). Adverse effects include reversible peripheral neuropathy with prolonged therapy, CNS toxicity, disulfiram effect with alcohol, dark red-brown urine, metallic taste, nausea, epigastric distress, dizziness, vertigo and paresthesias associated with high doses, and neutropenia (reversible and mild).","MechanismOfAction":"Metronidazole is a prodrug. Unionized metronidazole is selective for anaerobic bacteria due to their ability to intracellularly reduce metronidazole to its active form. This reduced metronidazole then covalently binds to DNA, disrupt its helical structure, inhibiting bacterial nucleic acid synthesis and resulting in bacterial cell death.","Pharmacodynamics":"Metronidazole, a synthetic antibacterial and antiprotozoal agent of the nitroimidazole class, is used against protozoa such as \u003ci\u003eTrichomonas vaginalis\u003c/i\u003e, amebiasis, and giardiasis. Metronidazole is extremely effective against anaerobic bacterial infections and is also used to treat Crohn's disease, antibiotic-associated diarrhea, and rosacea.","Absorption":"Well absorbed (at least 80%) with peak plasma concentrations achieved in 1-3 hours following oral administration of therapeutic doses of immediate release formulation. ","Interactions":[{"ID":"DB01418"},{"ID":"DB01351"},{"ID":"DB00701"},{"ID":"DB01125"},{"ID":"DB01352"},{"ID":"DB01008"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB00822"},{"ID":"DB00544"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB01356"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00794"},{"ID":"DB01346"},{"ID":"DB00418"},{"ID":"DB00864"},{"ID":"DB00306"},{"ID":"DB00706"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000362","Name":"Metronidazole hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00917","Name":"Dinoprostone","DrugType":"small molecule","HalfLife":"Less than 5 minutes.","Description":"Dinoprostone is a naturally occurring prostaglandin E2 (PGE2). It has important effects in labour. It also stimulates osteoblasts to release factors which stimualtes bone resorption by osteoclasts. As a prescription drug it is used as a vaginal suppository, to prepare the cervix for labour and to induce labour.","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"For the termination of pregnancy during the second trimester (from the 12th through the 20th gestational week as calculated from the first day of the last normal menstrual period), as well as for evacuation of the uterine contents in the management of missed abortion or intrauterine fetal death up to 28 weeks of gestational age as calculated from the first day of the last normal menstrual period. Also used in the management of nonmetastatic gestational trophoblastic disease (benign hydatidiform mole). Other indications include improving the cervical inducibility (cervical \"ripening\") in pregnant women at or near term with a medical or obstetrical need for labor induction, and the management of postpartum hemorrhage.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 750 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 500 mg/kg.","MechanismOfAction":"Dinoprostone administered intravaginally stimulates the myometrium of the gravid uterus to contract in a manner that is similar to the contractions seen in the term uterus during labor, resulting in the evacuation of the products of conception from the uterus. It is believed that dinoprostone exerts its uterine effects via direct myometrial stimulation, but the exact mechanism of action is unkown. Other suggested mechanisms include the regulation of cellular membrane calcium transport and of intracellular concentrations of cyclic 3',5'-adenosine monophosphate. Dinoprostone also appears to produce local cervical effects including softening, effacement, and dilation. The exact mechanism of action for this effect is also unknown, but it has been suggested that this effect may be associated with collagen degradation caused by secretion of the enzyme collagenase as a partial response to locally administered dinoprostone.","Pharmacodynamics":"Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery by stimulating the uterine, and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy.","Absorption":"Absorbed at a rate of 0.3 mg per hour over 12 hours while the vaginal system is in place.","Interactions":[{"ID":"DB01282"},{"ID":"DB00107"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00918","Name":"Almotriptan","DrugType":"small molecule","HalfLife":"3-4 hours","Description":"Almotriptan is a triptan drug for the treatment of migraine headaches. Almotriptan is in a class of medications called selective serotonin receptor agonists. It works by narrowing blood vessels in the brain, stopping pain signals from being sent to the brain, and stopping the release of certain natural substances that cause pain, nausea, and other symptoms of migraine. Almotriptan does not prevent migraine attacks.","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"For the treatment of acute migraine headache in adults","Toxicity":"","MechanismOfAction":"Almotriptan binds with high affinity to human 5-HT\u003csub\u003e1B\u003c/sub\u003e and 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors leading to cranial blood vessel constriction.","Pharmacodynamics":"Almotriptan is a selective 5-hydroxytryptamine receptor subtype agonist indicated for the acute treatment of migraine attacks with or without aura in adults. Almotriptan is not intended for the prophylactic therapy of migraine or for use in the management of hemiplegic or basilar migraine. Almotriptan is an agonist for a vascular 5-hydroxytryptamine receptor subtype (probably a member of the 5-HT\u003csub\u003e1D\u003c/sub\u003e family) having only a weak affinity for 5-HT\u003csub\u003e1A\u003c/sub\u003e, 5-HT\u003csub\u003e5A\u003c/sub\u003e, and 5-HT\u003csub\u003e7\u003c/sub\u003e receptors and no significant affinity or pharmacological activity at 5-HT\u003csub\u003e2\u003c/sub\u003e, 5-HT\u003csub\u003e3\u003c/sub\u003e or 5-HT\u003csub\u003e4\u003c/sub\u003e receptor subtypes or at alpha1-, alpha2-, or beta-adrenergic, dopamine1,; dopamine2; muscarinic, or benzodiazepine receptors. This action in humans correlates with the relief of migraine headache. In addition to causing vasoconstriction, experimental data from animal studies show that Almotriptan also activates 5-HT\u003csub\u003e1\u003c/sub\u003e receptors on peripheral terminals of the trigeminal nerve innervating cranial blood vessels, which may also contribute to the antimigrainous effect of Almotriptan in humans.","Absorption":"","Interactions":[{"ID":"DB00215"},{"ID":"DB00872"},{"ID":"DB06700"},{"ID":"DB00320"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01247"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB01149"},{"ID":"DB00715"},{"ID":"DB00780"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00919","Name":"Spectinomycin","DrugType":"small molecule","HalfLife":"1 to 3 hours in patients with normal renal function and 10 to 30 hours in patients with impaired renal function with a creatinine clearance \u0026lt; 20 mL per minute.","Description":"An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea.","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For use in the treatment of acute gonorrheal urethritis and proctitis in the male and acute gonorrheal cervicitis and proctitis in the female when due to susceptible strains of \u003ci\u003eNeisseria gonorrhoeae\u003c/i\u003e.","Toxicity":"Acute oral toxicity (LD\u003csub\u003e50\u003c/sub\u003e): \u003e5000 mg/kg [Rat]. Information on overdosage in humans is not available.","MechanismOfAction":"Spectinomycin is an inhibitor of protein synthesis in the bacterial cell; the site of action is the 30S ribosomal subunit. It is bactericidal in its action.","Pharmacodynamics":"Spectinomycin is an aminocyclitol antibiotic produced by a species of soil microorganism designated as S\u003ci\u003etreptomyces spectabilis\u003c/i\u003e. In vitro studies have shown spectinomycin to be active against most strains of \u003ci\u003eNeisseria gonorrhoeae\u003c/i\u003e (minimum inhibitory concentration \u003c7.5 to 20 mcg/mL). Footprint studies indicate that spectinomycin exerts regional effects on ribosomal structure.","Absorption":"Rapidly and almost completely absorbed after intramuscular injection.","Interactions":null,"Salts":[{"ID":"DBSALT000380","Name":"Spectinomycin Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00258","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00919","DB01972","DB02431","DB03685"]}]},{"ID":"DB00920","Name":"Ketotifen","DrugType":"small molecule","HalfLife":"21 hours (for elimination)","Description":"A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis. [PubChem]","Classification":{"Description":"This compound belongs to the cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety.","DirectParent":"Cycloheptathiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Cycloheptathiophenes","SubClass":""},"Indication":"Indicated as an add-on or prophylactic oral medication in the chronic treatment of mild atopic asthmatic children. Also used as self-medication for the temporary relief of itching of the eye due to allergic conjunctivitis (ophthalmic).","Toxicity":"Adverse reactions include headaches, conjunctival injection and rhinitis.","MechanismOfAction":"Ketotifen is a relatively selective, non-competitive histamine antagonist (H1-receptor) and mast cell stabilizer. Ketotifen inhibits the release of mediators from mast cells involved in hypersensitivity reactions. Decreased chemotaxis and activation of eosinophils have also been demonstrated. Ketotifen also inhibits cAMP phosphodiesterase. Properties of ketotifen which may contribute to its antiallergic activity and its ability to affect the underlying pathology of asthma include inhibition of the development of airway hyper-reactivity associated with activation of platelets by PAF (Platelet Activating Factor), inhibition of PAF-induced accumulation of eosinophils and platelets in the airways, suppression of the priming of eosinophils by human recombinant cytokines and antagonism of bronchoconstriction due to leukotrienes. Ketotifen inhibits of the release of allergic mediators such as histamine, leukotrienes C4 and D4(SRS-A) and PAF.","Pharmacodynamics":"Ketotifen is a fast acting non-competitive histamine antagonist. It inhibits the release of mediators from mast cells. It is a non-bronchodilator antiasthmatic drug (when taken orally).","Absorption":"Following oral administration absorption is at least 60%","Interactions":[{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00921","Name":"Buprenorphine","DrugType":"small molecule","HalfLife":"IV administration, 0.3 mg = 1.2 - 7.2 hours (mean 2.2 hours);\r\nSublingual administration = 37 hours. ","Description":"Buprenorphine is a derivative of the opioid alkaloid thebaine that is a more potent (25 - 40 times) and longer lasting analgesic than morphine. It appears to act as a partial agonist at mu and kappa opioid receptors and as an antagonist at delta receptors. The lack of delta-agonist activity has been suggested to account for the observation that buprenorphine tolerance may not develop with chronic use. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the treatment of moderate to severe pain, peri-operative analgesia, and opioid dependence.","Toxicity":"Manifestations of acute overdose include pinpoint pupils, sedation, hypotension, respiratory depression and death.","MechanismOfAction":"Buprenorphine's analgesic effect is due to partial agonist activity at mu-opioid receptors. Buprenorphine is also a kappa-opioid receptor antagonist. The partial agonist activity means that opioid receptor antagonists (e.g., an antidote such as naloxone) only partially reverse the effects of buprenorphine. The binding to the mu and kappa receptors results in hyperpolarization and reduced neuronal excitability. Furthermore, buprenorphine slowly dissociates from its receptor. This observation would account for the longer duration of action compared to morphine, the unpredictability of its reversal by opioid antagonists, and its low level of manifest physical dependence. Its receptor fixation half life is 40 minutes which is significantly longer than morphine (milliseconds). ","Pharmacodynamics":"Buprenorphine is a synthetic opioid analgesic and thebaine derivative, with a longer duration of action than morphine. Buprenorphine interacts predominately with the opioid mu-receptor. These mu-binding sites are discretely distributed in the human brain, spinal cord, and other tissues. In clinical settings, buprenorphine exerts its principal pharmacologic effects on the central nervous system. Its primary actions of therapeutic value are analgesia and sedation. Buprenorphine may increase the patient's tolerance for pain and decrease the perception of suffering, although the presence of the pain itself may still be recognized. In addition to analgesia, alterations in mood, euphoria and dysphoria, and drowsiness commonly occur. Buprenorphine depresses the respiratory centers, depresses the cough reflex, and constricts the pupils. Pharmacological effects peaks at 15 minutes and persists for 6 hours or longer when given intramuscularly. When given intravenously, the time to onset and peak effect are shortened. ","Absorption":"31% bioavailability (sublingual). Sublingual absorption is also dependent on pH. The length of time the tablet is under the tongue has little effect on absorption. Although buprenorphine is rapidly absorbed from the oral mucosa, the absorption into the systemic is slower. The time to reach peak plasma concentration (Tmax) varies between individuals (range of 40 minutes to 3.5 hours). How buprenorphine is formulated does not affect this pharmacokinetic parameter. It also undergoes extensive first-pass metabolism and as a consequence, has very low oral bioavailability. Coadministration with naloxone does not effect the pharmacokinetics of buprenorphine.","Interactions":[{"ID":"DB06274"},{"ID":"DB01072"},{"ID":"DB00872"},{"ID":"DB00450"},{"ID":"DB06414"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB01171"},{"ID":"DB00780"},{"ID":"DB01168"},{"ID":"DB01367"},{"ID":"DB01037"},{"ID":"DB00976"},{"ID":"DB00752"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000019","Name":"Buprenorphine Hydrochloride "}],"Groups":{"approved":true,"illicit":true,"investigational":true},"Pathways":[{"ID":"SMP00684","Drugs":["DB00368","DB00921","DB00988","DB01345","DB01373"]}]},{"ID":"DB00922","Name":"Levosimendan","DrugType":"small molecule","HalfLife":"Eliminination half-life is approximately 1 hour.","Description":"Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It increases the sensitivity of the heart to calcium, thus increasing cardiac contractility without a rise in intracellular calcium. Levosimendan exerts its effect by increasing calcium sensitivity of myocytes by binding to cardiac troponin C in a calcium-dependent manner. It also has a vasodilatory effect, by opening adenosine triphosphate (ATP)-sensitive potassium channels in vascular smooth muscle to cause smooth muscle relaxation.","Classification":{"Description":"This compound belongs to the phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of an hydrazide substituent attacthed to a phenyl group.","DirectParent":"Phenylhydrazines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylhydrazines"},"Indication":"For short term treatment of acutely decompensated severe chronic heart failure (CHF). Also being investigated for use/treatment in heart disease.","Toxicity":"","MechanismOfAction":"Levosimendan appears to increase myofilament calcium sensitivity by binding to cardiac troponin C in a calcium-dependent manner. This stabilizes the calcium-induced conformational change of troponin C, thereby (1) changing actin-myosin cross-bridge kinetics apparently without increasing the cycling rate of the cross-bridges or myocardial ATP consumption, (2) increasing the effects of calcium on cardiac myofilaments during systole and (3) improving contraction at low energy cost (inotropic effect). Calcium concentration and, therefore, sensitization decline during diastole, allowing normal or improved diastolic relaxation. Levosimendan also leads to vasodilation through the opening of ATP-sensitive potassium channels. By these inotropic and vasodilatory actions, levosimendan increases cardiac output without increasing myocardial oxygen demand. Levosimendan also has a selective phosphodiesterase (PDE)-III inhibitory action that may contribute to the inotropic effect of this compound under certain experimental conditions. It has been reported that levosimendan may act preferentially as a Ca\u003csup\u003e2+\u003c/sup\u003e sensitizer at lower concentrations, whereas at higher concentrations its action as a PDE-III inhibitor becomes more prominent in experimental animals and humans.","Pharmacodynamics":"Levosimendan is a new Ca\u003csup\u003e2+\u003c/sup\u003e-sensitizing inotropic agent. Ca\u003csup\u003e2+\u003c/sup\u003e sensitizers represent a new class of inotropic agents, which overcome the disadvantages associated with currently available inotropic agents in as they are not associated with an increased risk of arrhythmias, cell injury and death due to Ca\u003csup\u003e2+\u003c/sup\u003e overload in myocardial cells; they do not increase the activation energy; and they have the potential to reverse contractile dysfunction under pathophysiologic conditions, such as acidosis or myocardial stunning. Levosimendan has not been approved for use in the U.S. or Canada.","Absorption":"The bioavailability of oral levosimendan is 85 \u0026plusmn; 6% in healthy volunteers and 84 \u0026plusmn; 4% in patients.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00923","Name":"Ceforanide","DrugType":"small molecule","HalfLife":"2.6 to 2.98 hours","Description":"Ceforanide is a second-generation parenteral cephalosporin antibiotic. It has a longer elimination half-life than any currently available cephalosporin. Its activity is very similar to that of cefamandole, a second-generation cephalosporin, except that ceforanide is less active against most gram-positive organisms. Many coliforms, including Escherichia coli, Klebsiella, Enterobacter, and Proteus, are susceptible to ceforanide, as are most strains of Salmonella, Shigella, Hemophilus, Citrobacter and Arizona species.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of infections caused by susceptible organisms.","Toxicity":"Adverse effects following overdosage include nausea, vomiting, epigastric distress, diarrhea, and convulsions.","MechanismOfAction":"The bactericidal activity of ceforanide results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs).","Pharmacodynamics":"Ceforanide is a semisynthetic second-generation cephalosporin. The cephalosporins are bactericidal drugs with both gram-positive and gram-negative activity. They inhibit bacterial cell wall synthesis in a way similar to the penicillins.","Absorption":"Rapidly absorbed following intramuscular injection.","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00924","Name":"Cyclobenzaprine","DrugType":"small molecule","HalfLife":"18 hours (range 8-37 hours)","Description":"Cyclobenzaprine is a skeletal muscle relaxant and a central nervous system (CNS) depressant. Cyclobenzaprine acts on the locus coeruleus where it results in increased norepinephrine release, potentially through the gamma fibers which innervate and inhibit the alpha motor neurons in the ventral horn of the spinal cord. It is structurally similar to Amitriptyline, differing by only one double bond.","Classification":{"Description":"This compound belongs to the dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring.","DirectParent":"Dibenzocycloheptenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Dibenzocycloheptenes","SubClass":""},"Indication":"For use as an adjunct to rest and physical therapy for relief of muscle spasm associated with acute, painful musculoskeletal conditions.","Toxicity":"Oral mouse and rat LD\u003csub\u003e50\u003c/sub\u003e are 338 mg/kg and 425 mg/kg respectively. Signs of overdose include agitation, coma, confusion, congestive heart failure, convulsions, dilated pupils, disturbed concentration, drowsiness, hallucinations, high or low temperature, increased heartbeats, irregular heart rhythms, muscle stiffness, overactive reflexes, severe low blood pressure, stupor, and vomiting.","MechanismOfAction":"Like other tricyclic antidepressants, cyclobenzaprine exhibits anticholinergic activity, potentiation of norepinephrine, and antagonism of reserpine. Cyclobenzaprine does not directly act on the neuromuscular junction or the muscle but relieves muscle spasms through a central action, possibly at the brain stem level. Cyclobenzaprine binds to the serotonin receptor and is considered a 5-HT2 receptor antagonist that reduces muscle tone by decreasing the activity of descending serotonergic neurons.","Pharmacodynamics":"Cyclobenzaprine, closely related to the antidepressant amitriptyline, is used as a skeletal muscle relaxant to reduce pain and tenderness and improve mobility. Unlike dantrolene, cyclobenzaprine cannot be used to treat muscle spasm secondary to cerebral or spinal cord disease.","Absorption":"Slowly but well absorbed after oral administration","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB05039"},{"ID":"DB01367"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00730"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000479","Name":"Cyclobenzaprine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00925","Name":"Phenoxybenzamine","DrugType":"small molecule","HalfLife":"24 hours","Description":"An alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator. [PubChem]","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the treatment of phaeochromocytoma (malignant), benign prostatic hypertrophy and malignant essential hypertension.","Toxicity":"Symptoms of overdose are largely the result of block of the sympathetic nervous system and of the circulating epinephrine. They may include postural hypotension resulting in dizziness or fainting, tachycardia, particularly postural, vomiting; lethargy, and shock.","MechanismOfAction":"Phenoxybenzamine produces its therapeutic actions by blocking alpha receptors, leading to a muscle relaxation and a widening of the blood vessels. This widening of the blood vessels results in a lowering of blood pressure.","Pharmacodynamics":"Phenoxybenzamine is indicated for the control of episodes of hypertension and sweating that occur with a disease called pheochromocytoma. If tachycardia is excessive, it may be necessary to use a beta-blocking agent concomitantly. Phenoxybenzamine is a long-acting, adrenergic, alpha-receptor blocking agent which can produce and maintain \"chemical sympathectomy\" by oral administration. It increases blood flow to the skin, mucosa and abdominal viscera, and lowers both supine and erect blood pressures. It has no effect on the parasympathetic system. Phenoxybenzamine works by blocking alpha receptors in certain parts of the body. Alpha receptors are present in the muscle that lines the walls of blood vessels. When the receptors are blocked by Phenoxybenzamine, the muscle relaxes and the blood vessels widen. This widening of the blood vessels results in a lowering of blood pressure.","Absorption":"Twenty to 30 percent of orally administered phenoxybenzamine appears to be absorbed in the active form.","Interactions":[{"ID":"DB00820"},{"ID":"DB00706"},{"ID":"DB00374"},{"ID":"DB00862"}],"Salts":[{"ID":"DBSALT000480","Name":"Phenoxybenzamine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00926","Name":"Etretinate","DrugType":"small molecule","HalfLife":"In one study, the apparent terminal half-life of etretinate after 6 months of therapy was approximately 120 days. In another study of 47 patients who had undergone chronic therapy with etretinate, 5 patients had detectable serum drug concentrations (0.5 to 12 ng/mL) 2.1 to 2.9 years after therapy was completed.","Description":"Etretinate is a medication used to treat severe psoriasis. It is a synthetic aromatic retinoid. The mechanism of action of etretinate is still incompletely understood although, like retinoic acid, it is thought to interfere with the terminal differentiation of keratinocytes. It is thought to bind to the retinoic acid receptors. Etretinate is also believed to enhance the binding of cAMP to the regulatory RI subunit of cAMP dependent protein kinases. It was removed from the United States market in 1998 and the Canadian market in 1996 as a psoriasis medication, due to the high risk of birth defects. Etretinate is now used to treat T-cell lymphomas. It also appears to inhibit NADH oxidase activity.","Classification":{"Description":"This compound belongs to the retinoid esters. These are ester derivatives of retinoic acid.","DirectParent":"Retinoid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"For the treatment of severe psoriasis in adults.","Toxicity":"Symptoms of overdose include headache and vertigo.","MechanismOfAction":"The mechanism of action of the active metabolite, acitretin, is unknown, however it is believed to work by targeting specific receptors (retinoid receptors) in the skin which help normalize the growth cycle of skin cells.","Pharmacodynamics":"The active metabolite responsible for etretinate's effects, acitretin, is a retinoid. Retinoids have a structure similar to vitamin A and are involved in the normal growth of skin cells. Acitretin works by inhibiting the excessive cell growth and keratinisation (process by which skin cells become thickened due to the deposition of a protein within them) seen in psoriasis. It therefore reduces the thickening of the skin, plaque formation and scaling.","Absorption":"Absorbed in the small intestine. Studies in normal volunteers indicate that the absorption of etretinate is greater in patients consuming whole milk or a high-fat diet than in patients in a fasting state.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB00927","Name":"Famotidine","DrugType":"small molecule","HalfLife":"2.5-3.5 hours","Description":"A competitive histamine H2-receptor antagonist. Its main pharmacodynamic effect is the inhibition of gastric secretion. [PubChem]","Classification":{"Description":"This compound belongs to the 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 4 only.","DirectParent":"2,4-disubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"For the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD).","Toxicity":"Intravenous, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 244.4mg/kg; Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 4686 mg/kg. Symptoms of overdose include emesis, restlessness, pallor of mucous membranes or redness of mouth and ears, hypotension, tachycardia and collapse.","MechanismOfAction":"Famotidine binds competitively to H\u003csub\u003e2\u003c/sub\u003e-receptors located on the basolateral membrane of the parietal cell, blocking histamine affects. This competitive inhibition results in reduced basal and nocturnal gastric acid secretion and a reduction in gastric volume, acidity, and amount of gastric acid released in response to stimuli including food, caffeine, insulin, betazole, or pentagastrin.","Pharmacodynamics":"Famotidine, a competitive histamine H\u003csub\u003e2\u003c/sub\u003e-receptor antagonist, is used to treat gastrointestinal disorders such as gastric or duodenal ulcer, gastroesophageal reflux disease, and pathological hypersecretory conditions. Famotidine inhibits many of the isoenzymes of the hepatic CYP450 enzyme system. Other actions of Famotidine include an increase in gastric bacterial flora such as nitrate-reducing organisms.","Absorption":"The bioavailability of oral doses is 40-45%.","Interactions":[{"ID":"DB01072"},{"ID":"DB01066"},{"ID":"DB00467"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB08864"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00928","Name":"Azacitidine","DrugType":"small molecule","HalfLife":"Mean elimination half-life is approximately 4 hours.","Description":"A pyrimidine nucleoside analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For treatment of patients with the following French-American-British myelodysplastic syndrome subtypes: refractory anemia or refractory anemia with ringed sideroblasts (if accompanied by neutropenia or thrombocytopenia or requiring transfusions), refractory anemia with excess blasts, refractory anemia with excess blasts in transformation (now classified as acute myelogenous leukemia with multilineage dysplasia), and chronic myelomonocytic leukemia.","Toxicity":"One case of overdose with azacitidine was reported during clinical trials. A patient experienced diarrhea, nausea, and vomiting after receiving a single IV dose of approximately 290 mg/m2, almost 4 times the recommended starting dose.","MechanismOfAction":"Azacitidine (5-azacytidine) is a chemical analogue of the cytosine nucleoside used in DNA and RNA. Azacitidine is thought to induce antineoplastic activity via two mechanisms; inhibition of DNA methyltransferase at low doses, causing hypomethylation of DNA, and direct cytotoxicity in abnormal hematopoietic cells in the bone marrow through its incorporation into DNA and RNA at high doses, resulting in cell death. As azacitidine is a ribonucleoside, it incoporates into RNA to a larger extent than into DNA. The incorporation into RNA leads to the dissembly of polyribosomes, defective methylation and acceptor function of transfer RNA, and inhibition of the production of protein. Its incorporation into DNA leads to a covalent binding with DNA methyltransferases, which prevents DNA synthesis and subsequent cytotoxicity.","Pharmacodynamics":"Azacitidine is believed to exert its antineoplastic effects by causing hypomethylation of DNA and direct cytotoxicity on abnormal hematopoietic cells in the bone marrow. The concentration of azacitidine required for maximum inhibition of DNA methylation in vitro does not cause major suppression of DNA synthesis. Hypomethylation may restore normal function to genes that are critical for differentiation and proliferation. The cytotoxic effects of azacitidine cause the death of rapidly dividing cells, including cancer cells that are no longer responsive to normal growth control mechanisms. Non-proliferating cells are relatively insensitive to azacitidine. Upon uptake into cells, azacitidine is phosphorylated to 5-azacytidine monophosphate by uridine-cytidine kinase, then to diphosphate by pyrimidine monophosphate kinases and triphosphate by diphosphate kinases. 5-Azacitidine triphosphate is incorporated into RNA, leading to the disruption of nuclear and cytoplasmic RNA metabolism and inhibition of protein synthesis. 5-Azacytidine diphosphate is reduced to 5-aza-deoxycytidine diphosphate by ribonucleotide reductase. The resultant metabolite is phosphorylated to 5-azadeoxycitidine triphosphate by nucleoside diphosphate kinases. 5-azadeoxycitidine triphosphate is then incoporated into DNA, leading to inhibition of DNA synthesis. Azacitidine is most toxic during the S-phase of the cell cycle.","Absorption":"Azacitidine is rapidly absorbed after subcutaneous administration. The bioavailability of subcutaneous azacitidine relative to IV azacitidine is approximately 89%, based on area under the curve.","Interactions":[{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00929","Name":"Misoprostol","DrugType":"small molecule","HalfLife":"20-40 minutes","Description":"A synthetic analog of natural prostaglandin E1. It produces a dose-related inhibition of gastric acid and pepsin secretion, and enhances mucosal resistance to injury. It is an effective anti-ulcer agent and also has oxytocic properties. [PubChem]","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"Indicated for the treatment of ulceration (duodenal, gastric and NSAID induced) and prophylaxis for NSAID induced ulceration.\r\nMisoprostol is also indicated for other uses that are not approved in Canada, including the medical termination of an intrauterine pregnancy used alone or in combination with methotrexate,as well as the induction of labour in a selected population of pregnant women with unfavourable cervices. This indication is avoided in women with prior uterine surgery or cesarean surgery due to an increased risk of possible uterine rupture. Misoprostol is also used for the prevention or treatment of serious postpartum hemorrhage.","Toxicity":"","MechanismOfAction":"Misoprostol seems to inhibit gastric acid secretion by a direct action on the parietal cells through binding to the prostaglandin receptor. The activity of this receptor is mediated by G proteins which normally activate adenylate cyclase. The indirect inhibition of adenylate cyclase by Misoprostol may be dependent on guanosine-5\u0026rsquo;-triphosphate (GTP). The significant cytoprotective actions of misoprostol are related to several mechanisms. These include: 1. Increased secretion of bicarbonate, 2. Considerable decrease in the volume and pepsin content of the gastric secretions, 3. It prevents harmful agents from disrupting the tight junctions between the epithelial cells which stops the subsequent back diffusion of H\u003csup\u003e+\u003c/sup\u003e ions into the gastric mucosa, 4. Increased thickness of mucus layer, 5. Enhanced mucosal blood flow as a result of direct vasodilatation, 6. Stabilization of tissue lysozymes/vascular endothelium, 7. Improvement of mucosal regeneration capacity, and 8. Replacement of prostaglandins that have been depleted as a result of various insults to the area. \r\nMisoprostol has also been shown to increase the amplitude and frequency of uterine contractions during pregnancy via selective binding to the EP-2/EP-3 prostanoid receptors. ","Pharmacodynamics":"Misoprostol is a prostaglandin E1 (PGE1) analogue used for the treatment and prevention of stomach ulcers. When administered, misoprostol stimulates increased secretion of the protective mucus that lines the gastrointestinal tract and increases mucosal blood flow, thereby increasing mucosal integrity. It is sometimes co-prescribed with non-steroidal anti-inflammatory drugs (NSAIDs) to prevent the occurrence of gastric ulceration, a common adverse effect of the NSAIDs.","Absorption":"Misoprostol is extensively absorbed.","Interactions":[{"ID":"DB01282"},{"ID":"DB00107"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00930","Name":"Colesevelam","DrugType":"small molecule","HalfLife":"","Description":"Colesevelam is a bile acid sequestrant. Colesevelam is used with exercise and diet changes (restriction of cholesterol and fat intake) to reduce the amount of cholesterol and certain fatty substances in the blood. It works by binding bile acids in the intestine. Bile acids are made when cholesterol is broken down in the body. Removing these bile acids helps to lower blood cholesterol.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For use, alone or in combination with an HMG-CoA reductase inhibitor, as adjunctive therapy to diet and exercise for the reduction of elevated LDL cholesterol in patients with primary hypercholesterolemia (Fredrickson Type IIa).","Toxicity":"Symptoms of overdose may include eye irritation, constipation, abdominal cramps, nausea, vomiting, diarrhea, and hypersensitivity. However, as colesevelam is not absorbed, the risk of systemic toxicity is low. Doses in excess of 4.5 g per day have not been tested.","MechanismOfAction":"Colesevelam is a non-absorbed, lipid-lowering polymer that binds bile acids in the intestine, impeding their reabsorption. As the bile acid pool becomes depleted, the hepatic enzyme, cholesterol 7-(alpha)-hydroxylase, is upregulated, which increases the conversion of cholesterol to bile acids. This causes an increased demand for cholesterol in the liver cells, resulting in the dual effect of increasing transcription and activity of the cholesterol biosynthetic enzyme, hydroxymethyl-glutaryl-coenzyme A (HMG-CoA) reductase, and increasing the number of hepatic low-density lipoprotein (LDL) receptors. These compensatory effects result in increased clearance of LDL cholesterol (LDL-C) from the blood, resulting in decreased serum LDL-C levels. Serum triglyceride levels may increase or remain unchanged. The end result is increased clearance of LDL-cholesterol from the blood with decreased serum LDL-cholesterol.","Pharmacodynamics":"Colesevelam is a high capacity bile-acid binding molecule. Colesevelam binds to bile acids in the intestine which reduces the amount of bile acids that are returned to the liver via enterohepatic circulation. Clinical studies have demonstrated that elevated levels of total cholesterol (total-C), LDL-C, and apolipoprotein B (Apo B, a protein associated with LDL-C) are associated with an increased risk of atherosclerosis in humans. Similarly, decreased levels of high-density lipoprotein cholesterol (HDL-C) are associated with the development of atherosclerosis. Epidemiological investigations have established that cardiovascular morbidity and mortality vary directly with the levels of total-C and LDL-C, and inversely with the level of HDL-C. The combination of colesevelam and an HMG-CoA reductase inhibitor is effective in further lowering serum total-C and LDL-C levels beyond that achieved by either agent alone.","Absorption":"Not hydrolyzed by digestive enzymes and is not absorbed.","Interactions":[{"ID":"DB01436"},{"ID":"DB01118"},{"ID":"DB00887"},{"ID":"DB00136"},{"ID":"DB00482"},{"ID":"DB06777"},{"ID":"DB00169"},{"ID":"DB00618"},{"ID":"DB00304"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB06410"},{"ID":"DB00254"},{"ID":"DB01395"},{"ID":"DB00153"},{"ID":"DB00903"},{"ID":"DB00977"},{"ID":"DB00823"},{"ID":"DB00749"},{"ID":"DB00294"},{"ID":"DB00573"},{"ID":"DB00712"},{"ID":"DB00695"},{"ID":"DB01016"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB01097"},{"ID":"DB00367"},{"ID":"DB00939"},{"ID":"DB00603"},{"ID":"DB00784"},{"ID":"DB00814"},{"ID":"DB01357"},{"ID":"DB01017"},{"ID":"DB00461"},{"ID":"DB00788"},{"ID":"DB00627"},{"ID":"DB06713"},{"ID":"DB00717"},{"ID":"DB00957"},{"ID":"DB00991"},{"ID":"DB00910"},{"ID":"DB00252"},{"ID":"DB01132"},{"ID":"DB00554"},{"ID":"DB00175"},{"ID":"DB00481"},{"ID":"DB00412"},{"ID":"DB00605"},{"ID":"DB00759"},{"ID":"DB01600"},{"ID":"DB00500"},{"ID":"DB00214"},{"ID":"DB01021"},{"ID":"DB01586"}],"Salts":[{"ID":"DBSALT000790","Name":"Colesevelam hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00931","Name":"Methacycline","DrugType":"small molecule","HalfLife":"14 hours","Description":"A broad-spectrum semisynthetic antibiotic related to tetracycline but excreted more slowly and maintaining effective blood levels for a more extended period. [PubChem]","Classification":{"Description":"This compound belongs to the anthracenecarboxylic acids and derivatives. These are organic compounds containing a carboxylic acid group (or a derivative thereof) attached to an anthracene ring system.","DirectParent":"Anthracenecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"For the treatment of acute bacterial exacerbations of chronic bronchitis","Toxicity":"","MechanismOfAction":"Methacycline, a tetracycline antibiotic, is a protein synthesis inhibitors, inhibiting the binding of aminoacyl-tRNA to the mRNA-ribosome complex. Methacycline inhibits cell growth by inhibiting translation. It binds to the 16S part of the 30S ribosomal subunit and prevents the amino-acyl tRNA from binding to the A site of the ribosome. The binding is reversible in nature. Tetracyclines also have been found to inhibit matrix metalloproteinases. This mechanism does not add to their antibiotic effects, but has led to extensive research on chemically modified tetracyclines or CMTs (like incyclinide) for the treatmet of rosacea, acne, and various types of neoplasms.","Pharmacodynamics":"Methacycline is a tetracycline antibiotic. Similar to other tetracyclines, it has a wide spectrum of antimicrobial action. It is active against most Gram-positive bacteria (pneumococci, streptococci, staphylococci) and Gram-negative bacteria (E. coli, salmonella, shigella, etc.), and towards agents causing onithosis, psittacosis, trachoma, and some Protozoa. Like other tetracyclines, the general usefulness of methacycline has been reduced with the onset of bacterial resistance.","Absorption":"58% absorbed","Interactions":[{"ID":"DB00459"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB01053"},{"ID":"DB01373"},{"ID":"DB00578"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00485"},{"ID":"DB00977"},{"ID":"DB00926"},{"ID":"DB00301"},{"ID":"DB00893"},{"ID":"DB00982"},{"ID":"DB01378"},{"ID":"DB00417"},{"ID":"DB00319"},{"ID":"DB01604"},{"ID":"DB01605"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00727","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00931","DB01972","DB02431","DB03685"]}]},{"ID":"DB00932","Name":"Tipranavir","DrugType":"small molecule","HalfLife":"5-6 hours","Description":"Tipranavir is a sulfonamide-containing dyhydropyrone and a nonpeptidic protease inhibitor that targets the HIV protease. It is administered with ritonavir in combination therapy to treat HIV infections.","Classification":{"Description":"This compound belongs to the linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.","DirectParent":"Linear Diarylheptanoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Diarylheptanoids","SubClass":"Linear Diarylheptanoids"},"Indication":"For combination antiretroviral treatment of HIV-1 infected adult patients with evidence of viral replication, who are highly treatment-experienced or have HIV-1 strains resistant to multiple protease inhibitors.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat is over 5,000 mg/kg. Side effects include thirst and hunger, unexplained weight loss, increased urination, fatigue, and dry, itchy skin.","MechanismOfAction":"Tipranavir (TPV) is a non-peptidic HIV-1 protease inhibitor that inhibits the processing of the viral Gag and Gag-Pol polyproteins in HIV-1 infected cells, thus preventing formation of mature virions. Two mechanisms are suggested in regards to the potency of tipranavir: 1. Tipravanir may bind to the active site of the protease enzyme with fewer hydrogen bonds than peptidic protease inhibitors, which results in increased flexibility, allowing it to fit into the active site of the enzyme in viruses that have become resistance to other protease inhibitors. This also enables tipranavir to adjust to amino acid substitutions at the active site. 2. Tipranavir's strong hydrogen bonding interaction with the amide backbone of the protease active site Asp30 may lead to its activity against resistant viruses.","Pharmacodynamics":"Tipranavir is a non-peptidic protease inhibitor (PI) of HIV. Protease inhibitors block the part of HIV called protease. HIV-1 protease is an enzyme required for the proteolytic cleavage of the viral polyprotein precursors into the individual functional proteins found in infectious HIV-1. Nelfinavir binds to the protease active site and inhibits the activity of the enzyme. This inhibition prevents cleavage of the viral polyproteins resulting in the formation of immature non-infectious viral particles. Protease inhibitors are almost always used in combination with at least two other anti-HIV drugs.","Absorption":"Absorption is limited, although no absolute quantification of absorption is available.","Interactions":[{"ID":"DB01048"},{"ID":"DB00404"},{"ID":"DB01118"},{"ID":"DB00381"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB01244"},{"ID":"DB01558"},{"ID":"DB01200"},{"ID":"DB01222"},{"ID":"DB00564"},{"ID":"DB00475"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB00349"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB06695"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00829"},{"ID":"DB00900"},{"ID":"DB00255"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB00822"},{"ID":"DB00625"},{"ID":"DB00063"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00736"},{"ID":"DB01215"},{"ID":"DB00783"},{"ID":"DB00655"},{"ID":"DB00977"},{"ID":"DB06414"},{"ID":"DB01023"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00690"},{"ID":"DB00588"},{"ID":"DB01319"},{"ID":"DB02703"},{"ID":"DB00270"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB00227"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB00353"},{"ID":"DB00683"},{"ID":"DB00238"},{"ID":"DB00622"},{"ID":"DB01115"},{"ID":"DB00393"},{"ID":"DB00401"},{"ID":"DB01054"},{"ID":"DB00338"},{"ID":"DB00715"},{"ID":"DB01186"},{"ID":"DB00454"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB01263"},{"ID":"DB00175"},{"ID":"DB01588"},{"ID":"DB01182"},{"ID":"DB01589"},{"ID":"DB00908"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB01098"},{"ID":"DB01232"},{"ID":"DB01104"},{"ID":"DB00203"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB01390"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB06287"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00313"},{"ID":"DB00862"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00495"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00933","Name":"Mesoridazine","DrugType":"small molecule","HalfLife":"24 to 48 hours","Description":"A phenothiazine antipsychotic with effects similar to chlorpromazine. [PubChem]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Used in the treatment of schizophrenia, organic brain disorders, alcoholism and psychoneuroses.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e is 560 \u0026plusmn; 62.5 mg/kg and 644 \u0026plusmn; 48 mg/kg in mouse and rat, respectively. Symptoms of overdose may include emesis, muscle tremors, decreased food intake and death associated with aspiration of oral-gastric contents into the respiratory system.","MechanismOfAction":"Based upon animal studies, mesoridazine, as with other phenothiazines, acts indirectly on reticular formation, whereby neuronal activity into reticular formation is reduced without affecting its intrinsic ability to activate the cerebral cortex. In addition, the phenothiazines exhibit at least part of their activities through depression of hypothalamic centers. Neurochemically, the phenothiazines are thought to exert their effects by a central adrenergic blocking action.","Pharmacodynamics":"Mesoridazine, the besylate salt of a metabolite of thioridazine, is a phenothiazine tranquilizer. Pharmacological studies in laboratory animals have established that mesoridazine has a spectrum of pharmacodynamic actions typical of a major tranquilizer. In common with other tranquilizers it inhibits spontaneous motor activity in mice, prolongs thiopental and hexobarbital sleeping time in mice and produces spindles and block of arousal reaction in the EEG of rabbits. It is effective in blocking spinal reflexes in the cut and antagonizes d-amphetamine excitation and toxicity in grouped mice. It shows a moderate adrenergic blocking activity in vitro and in vivo and antagonizes 5-hydroxytryptamine in vivo. Intravenously administered, it lowers the blood pressure of anesthetized dogs. It has a weak antiacetylcholine effect in vitro.","Absorption":"Well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00182"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB00865"},{"ID":"DB01053"},{"ID":"DB01158"},{"ID":"DB01200"},{"ID":"DB00608"},{"ID":"DB00477"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00343"},{"ID":"DB01075"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00199"},{"ID":"DB00574"},{"ID":"DB01195"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB00458"},{"ID":"DB01321"},{"ID":"DB01137"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00579"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB00715"},{"ID":"DB00738"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB01100"},{"ID":"DB00960"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00468"},{"ID":"DB00989"},{"ID":"DB06144"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB06145"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT001073","Name":"Mesoridazine mesilate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00934","Name":"Maprotiline","DrugType":"small molecule","HalfLife":"Average ~ 51 hours (range: 27-58 hours)","Description":"Maprotiline is a tetracyclic antidepressant with similar pharmacological properties to tricyclic antidepressants (TCAs). Similar to TCAs, maprotiline inhibits neuronal norepinephrine reuptake, possesses some anticholinergic activity, and does not affect monoamine oxidase activity. It differs from TCAs in that it does not appear to block serotonin reuptake. Maprotiline may be used to treat depressive affective disorders, including dysthymic disorder (depressive neurosis) and major depressive disorder. Maprotiline is effective at reducing symptoms of anxiety associated with depression. ","Classification":{"Description":"This compound belongs to the anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.","DirectParent":"Anthracenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"For treatment of depression, including the depressed phase of bipolar depression, psychotic depression, and involutional melancholia, and may also be helpful in treating certain patients suffering severe depressive neurosis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=~900 mg/kg (Orally in rats); LD\u003csub\u003e50\u003c/sub\u003e=90 mg/kg (Orally in women); Signs of overdose include motor unrest, muscular twitching and rigidity, tremor, ataxia, convulsions, hyperpyrexia, vertigo, mydriasis, vomiting, cyanosis, hypotension, shock, tachycardia, cardiac arrhythmias, impaired cardiac conduction, respiratory depression, and disturbances of consciousness up to deep coma.","MechanismOfAction":"Maprotiline exerts its antidepressant action by inhibition of presynaptic uptake of catecholamines, thereby increasing their concentration at the synaptic clefts of the brain. In single doses, the effect of maprotiline on the EEG revealed a rise in the alpha-wave density, a reduction of the alpha-wave frequency and an increase in the alpha-wave amplitude. However, as with other tricyclic antidepressants, maprotiline lowers the convulsive threshold. Maprotiline acts as an antagonist at central presynaptic \u0026alpha;\u003csub\u003e2\u003c/sub\u003e-adrenergic inhibitory autoreceptors and hetero-receptors, an action that is postulated to result in an increase in central noradrenergic and serotonergic activity. Maprotiline is also a moderate peripheral \u0026alpha;\u003csub\u003e1\u003c/sub\u003e adrenergic antagonist, which may explain the occasional orthostatic hypotension reported in association with its use. Maprotiline also inhibits the amine transporter, delaying the reuptake of noradrenaline and norepinephrine. Lastly, maprotiline is a strong inhibitor of the histamine H\u003csub\u003e1\u003c/sub\u003e receptor, which explains its sedative actions.","Pharmacodynamics":"Maprotiline is a tetracyclic antidepressant. Although its main therapeutic use is in the treatment of depression, it has also been shown to exert a sedative effect on the anxiety component that often accompanies depression. In one sleep study, it was shown that maprotiline increases the duration of the REM sleep phase in depressed patients, compared to imipramine which reduced the REM sleep phase. Maprotiline is a strong inhibitor of noradrenaline reuptake in the brain and peripheral tissues, however it is worthy to note that it is a weak inhibitor of serotonergic uptake. In addition, it displays strong antihistaminic action (which may explain its sedative effects) as well as weak anticholinergic action. Maprotiline also has lower alpha adrenergic blocking activity than amitriptyline.","Absorption":"Slowly, but completely absorbed from the GI tract following oral administration. ","Interactions":[{"ID":"DB06697"},{"ID":"DB00604"},{"ID":"DB06700"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB00571"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00857"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000482","Name":"Maprotiline Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00935","Name":"Oxymetazoline","DrugType":"small molecule","HalfLife":"","Description":"A direct acting sympathomimetic used as a vasoconstrictor to relieve nasal congestion. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1251)","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"For treatment of nasal congestion and redness associated with minor irritations of the eye","Toxicity":"","MechanismOfAction":"Oxymetazoline is a direct acting sympathomimetic amine, which acts on alpha-adrenergic receptors in the arterioles of the conjunctiva and nasal mucosa. It produces vasoconstriction, resulting in decreased conjunctival congestion in ophthalmic. In nasal it produces constriction, resulting in decreased blood flow and decreased nasal congestion.","Pharmacodynamics":"Oxymetazoline a adrenergic alpha-agonists, direct acting sympathomimetic used as a vasoconstrictor to relieve nasal congestion The sympathomimetic action of oxymetazoline constricts the smaller arterioles of the nasal passages, producing a prolonged (up to 12 hours), gentle and decongesting effect. Oxymetazoline elicits relief of conjunctival hyperemia by causing vasoconstriction of superficial conjunctival blood vessels. The drug's action has been demonstrated in acute allergic conjunctivitis and in chemical (chloride) conjunctivitis.","Absorption":"","Interactions":[{"ID":"DB00752"}],"Salts":[{"ID":"DBSALT000821","Name":"Oxymetazoline hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00936","Name":"Salicylic acid","DrugType":"small molecule","HalfLife":"","Description":"A compound obtained from the bark of the white willow and wintergreen leaves, and also prepared synthetically. It has bacteriostatic, fungicidal, and keratolytic actions. Its salts, the salicylates, are used as analgesics.","Classification":{"Description":"This compound belongs to the salicylic acids. These are ortho-hydroxylated benzoic acids.","DirectParent":"Salicylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Key additive in many skin-care products for the treatment of acne, psoriasis, callouses, corns, keratosis pilaris and warts.","Toxicity":"Oral rat LD50: 891 mg/kg. Inhalation rat LC50: \u003e 900 mg/m3/1hr. Irritation: skin rabbit: 500 mg/24H mild. Eye rabbit: 100 mg severe. Investigated a mutagen and reproductive effector.","MechanismOfAction":"Salicylic acid directly and irreversibly inhibits the activity of both types of cyclo-oxygenases (COX-1 and COX-2) to decrease the formation of precursors of prostaglandins and thromboxanes from arachidonic acid. Salicylate may competitively inhibit prostaglandin formation. Salicylate's antirheumatic (nonsteroidal anti-inflammatory) actions are a result of its analgesic and anti-inflammatory mechanisms. Salicylic acid is a key ingredient in many skin-care products for the treatment of acne, psoriasis, calluses, corns, keratosis pilaris, and warts. It works by causing the cells of the epidermis to slough off more readily, preventing pores from clogging up, and allowing room for new cell growth. Because of its effect on skin cells, salicylic acid is used in several shampoos used to treat dandruff. Salicylic acid is also used as an active ingredient in gels which remove verrucas (plantar warts). Salicylic acid inhibits the oxidation of uridine-5-diphosphoglucose (UDPG) competitively with nicotinamide adenosine dinucleotide (NAD) and noncompetitively with UDPG. It also competitively inhibits the transferring of glucuronyl group of uridine-5-phosphoglucuronic acid (UDPGA) to the phenolic acceptor. The wound-healing retardation action of salicylates is probably due mainly to its inhibitory action on mucopolysaccharide synthesis.","Pharmacodynamics":"Salicylic acid treats acne by causing skin cells to slough off more readily, preventing pores from clogging up. This effect on skin cells also makes salicylic acid an active ingredient in several shampoos meant to treat dandruff. Use of straight salicylic solution may cause hyperpigmentation on unpretreated skin for those with darker skin types (Fitzpatrick phototypes IV, V, VI), as well as with the lack of use of a broad spectrum sunblock. Subsalicylate in combination with bismuth form the popular stomach relief aid known commonly as Pepto-Bismol. When combined the two key ingredients help control diarrhea, nausea, heartburn, and even gas. It is also very mildly anti-biotic.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00709","Drugs":["DB00142","DB00143","DB00936","DB01373","DB01593","DB04557"]}]},{"ID":"DB00937","Name":"Diethylpropion","DrugType":"small molecule","HalfLife":"Using a phosphorescence assay that is specific for basic compounds containing benzoyl group, the plasma half-life of the aminoketone metabolites is estimated to be between 4 to 6 hours.","Description":"A appetite depressant considered to produce less central nervous system disturbance than most drugs in this therapeutic category. It is also considered to be among the safest for patients with hypertension. (From AMA Drug Evaluations Annual, 1994, p2290)","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Used in the management of exogenous obesity as a short-term adjunct (a few weeks) in a regimen of weight reduction based on caloric restriction.","Toxicity":"The reported oral LD\u003csub\u003e50\u003c/sub\u003e for mice is 600 mg/kg, for rats is 250 mg/kg and for dogs is 225 mg/kg. Manifestation of acute overdosage include restlessness, tremor, hyperreflexia, rapid respiration, confusion, assaultiveness, hallucinations, and panic states.","MechanismOfAction":"Diethylpropion is an amphetamine that stimulates neurons to release or maintain high levels of a particular group of neurotransmitters known as catecholamines; these include dopamine and norepinephrine. High levels of these catecholamines tend to suppress hunger signals and appetite. Diethylpropion (through catecholamine elevation) may also indirectly affect leptin levels in the brain. It is theorized that diethylpropion can raise levels of leptin which signal satiety. It is also theorized that increased levels of the catecholamines are partially responsible for halting another chemical messenger known as neuropeptide Y. This peptide initiates eating, decreases energy expenditure, and increases fat storage.","Pharmacodynamics":"Diethylpropion is a sympathomimetic stimulant drug marketed as an appetite suppressant. Chemically, it is the N,N-diethyl analog of cathinone. Its mechanism of action is similar to other appetite suppressants such as sibutramine, phentermine and dextroamphetamine.","Absorption":"Diethylpropion is rapidly absorbed from the GI tract after oral administration.","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00477"},{"ID":"DB00392"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB00777"},{"ID":"DB01367"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00285"}],"Salts":[{"ID":"DBSALT000484","Name":"Diethylpropion Hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00938","Name":"Salmeterol","DrugType":"small molecule","HalfLife":"5.5 hours","Description":"Salmeterol is a long-acting beta2-adrenergic receptor agonist drug that is currently prescribed for the treatment of asthma and chronic obstructive pulmonary disease COPD.","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the treatment of asthma and chronic obstructive pulmonary disease (COPD).","Toxicity":"Symptoms of overdose include angina (chest pain), dizziness, dry mouth, fatigue, flu-like symptoms, headache, heart irregularities, high or low blood pressure, high blood sugar, insomnia, muscle cramps, nausea, nervousness, rapid heartbeat, seizures, and tremor. By the oral route, no deaths occurred in rats at 1,000 mg/kg (approximately 81,000 times the maximum recommended daily inhalation dose in adults and approximately 38,000 times the maximum recommended daily inhalation dose in children on a mg/m\u003csup\u003e2\u003c/sup\u003e basis).","MechanismOfAction":"Salmeterol's long, lipophilic side chain binds to exosites near beta(2)-receptors in the lungs and on bronchiolar smooth muscle, allowing the active portion of the molecule to remain at the receptor site, continually binding and releasing. Beta(2)-receptor stimulation in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow.","Pharmacodynamics":"Salmeterol is a long acting beta2-adrenoceptor agonist (LABA), usually only prescribed for severe persistent asthma following previous treatment with a short-acting beta agonist such as salbutamol and is prescribed concurrently with a corticosteroid, such as beclometasone. The primary noticable difference of salmeterol to salbutamol is that the duration of action lasts approximately 12 hours in comparison with 4-6 hours of salbutamol. When used regularly every day as presecribed, inhaled salmeterol decreases the number and severity of asthma attacks. However, it is not for use for relieving an asthma attack that has already started. Inhaled salmeterol works like other beta 2-agonists, causing bronchodilatation by relaxing the smooth muscle in the airway so as to treat the exacerbation of asthma. Salmeterol is similar in action to formoterol, however formoterol has been demonstrated to have a faster onset of action than salmeterol as a result of a lower lipophilicity, and has also been demonstrated to be more potent - a 12 \u0026micro;g dose of formoterol has been demonstrated to be equivalent to a 50 \u0026micro;g dose of salmeterol.","Absorption":"Because of the small therapeutic dose, systemic levels of salmeterol are low or undetectable after inhalation of recommended doses.","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00872"},{"ID":"DB00187"},{"ID":"DB05039"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01369"},{"ID":"DB00976"},{"ID":"DB00373"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00939","Name":"Meclofenamic acid","DrugType":"small molecule","HalfLife":"In a study in 10 healthy subjects following a single oral dose the apparent elimination half-life ranged from 0.8 to 5.3 hours. Metabolite I (3-hydroxymethyl metabolite of meclofenamic acid) has a mean half-life of approximately 15 hours.","Description":"A non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the relief of mild to moderate pain, for the treatment of primary dysmenorrhea and for the treatment of idiopathic heavy menstrual blood loss. Also for relief of the signs and symptoms of acute and chronic rheumatoid arthritis and osteoarthritis.","Toxicity":"After a massive overdose, CNS stimulation may be manifested by irrational behavior, marked agitation and generalized seizures. Following this phase, renal toxicity (falling urine output, rising creatinine, abnormal urinary cellular elements) may be noted with possible oliguria or anuria and azotemia. A 24 year-old male was anuric for approximately one week after ingesting an overdose of 6 to 7 grams of meclofenamate sodium. Spontaneous diuresis and recovery subsequently occurred.","MechanismOfAction":"The mode of action, like that of other nonsteroidal anti-inflammatory agents, is not known. Therapeutic action does not result from pituitary-adrenal stimulation. In animal studies, meclofenamic acid was found to inhibit prostaglandin synthesis and to compete for binding at the prostaglandin receptor site. In vitro meclofenamic acid was found to be an inhibitor of human leukocyte 5-lipoxygenase activity. These properties may be responsible for the anti-inflammatory action of meclofenamic acid. There is no evidence that meclofenamic acid alters the course of the underlying disease.","Pharmacodynamics":"Meclofenamic acid is a nonsteroidal agent which has demonstrated anti-inflammatory, analgesic, and antipyretic activity in laboratory animals.","Absorption":"Rapidly absorbed in man following single and multiple oral doses with peak plasma concentrations occurring in 0.5 to 2 hours. The concomitant administration of antacids (aluminum and magnesium hydroxides) does not interfere with absorption of meclofenamic acid. Unlike most NSAIDs, which when administered with food have a decrease in rate but not in extent of absorption, meclofenamic acid is decreased in both. It has been reported that following the administration of meclofenamic acid capsules one-half hour after a meal, the average extent of bioavailability decreased by 26%, the average peak concentration (C\u003csub\u003emax\u003c/sub\u003e) decreased fourfold and the time to C\u003csub\u003emax\u003c/sub\u003e was delayed by 3 hours.","Interactions":[{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB06210"},{"ID":"DB01381"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00940","Name":"Methantheline","DrugType":"small molecule","HalfLife":"","Description":"Methantheline is a synthetic antispasmodic. Antispasmodics are used to relieve cramps or spasms of the stomach, intestines, and bladder. Methantheline is used to treat intestine or stomach ulcers (peptic ulcer disease), intestine problems (irritable bowel syndrome), pancreatitis, gastritis, biliary dyskinesia, pylorosplasm, or urinary problems (reflex neurogenic bladder in children).","Classification":{"Description":"This compound belongs to the xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene ring joined to each other by a pyran ring.","DirectParent":"Xanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Dibenzopyrans"},"Indication":"For the treatment of peptic ulcer disease, irritable bowel syndrome, pancreatitis, gastritis, biliary dyskinesia, pylorosplasm, and reflex neurogenic bladder in children.","Toxicity":"Symptoms of overdose: blurred vision (continuing) or changes in near vision, clumsiness or unsteadiness, confusion, convulsions, difficulty in breathing, muscle weakness (severe), or tiredness (severe), dizziness, drowsiness (severe), dryness of mouth, nose, or throat (severe), fast heartbeat, fever, hallucinations, slurred speech, unusual excitement, nervousness, restlessness, or irritability, unusual warmth, dryness, and flushing of skin.","MechanismOfAction":"Methantheline inhibits the muscarinic actions of acetylcholine on structures innervated by postganglionic cholinergic nerves as well as on smooth muscles that respond to acetylcholine but lack cholinergic innervation. These postganglionic receptor sites are present in the autonomic effector cells of the smooth muscle, cardiac muscle, sinoatrial and atrioventricular nodes, and exocrine glands. Depending on the dose, anticholinergics may reduce the motility and secretory activity of the gastrointestinal system, and the tone of the ureter and urinary bladder and may have a slight relaxant action on the bile ducts and gallbladder.","Pharmacodynamics":"Methantheline is a synthetic quarternary ammonium antimuscarinic used to relieve cramps or spasms of the stomach, intestines, and bladder. It can be used together with antacids or other medicines, such as H2-receptor antagonists, in the treatment of peptic ulcer. Methantheline inhibits muscarinic actions at postganglionic parasympathetic neuroeffector sites.","Absorption":"Rapidly absorbed.","Interactions":[{"ID":"DB00502"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000228","Name":"Methantheline Bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00941","Name":"Hexafluronium","DrugType":"small molecule","HalfLife":"","Description":"Hexafluronium bromide is a neuromuscular blocking agent used in anesthesiology to prolong and potentiate the skeletal muscle relaxing action of suxamethonium during surgery. It is known to bind and block the activity of plasma cholinesterases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used as an adjunct with succinylcholine (or suxamethonium chloride) to prolong muscle relaxation and to prevent succinylcholine-induced muscle fasciculations.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 280 mg/kg (mouse, oral)","MechanismOfAction":"Hexafluronium bromide is a non-competitive reversible inhibitor of human plasma cholinesterase or pseudocholinesterase.\r\nHexafluornium probably binds to anionic side receptors near the active center, causing a conformational change in the enzyme, preventing acylation of the esteratic site. The esteratic site on cholistereases is where acetylcholine is hydrolyzed to acetic acid and choline. \r\n","Pharmacodynamics":"Hexafluronium bromide is a cholinesterase antagonist that can be used to prolong the relaxation effects of succinylcholine or suxamethonium chloride. Suxamethonium acts as a depolarizing muscle relaxant. It imitates the action of acetylcholine at the neuromuscular junction and is degraded by pseudocholinesterase, a plasma cholinesterase. The prolonged stimulation of the acetylcholine receptor results first in disorganized muscle contractions, then in profound relaxation. Cholinesterases catalyze the hydrolysis of the neurotransmitter acetylcholine into choline and acetic acid, a reaction necessary to allow a cholinergic neuron to return to its resting state after activation. There are two types of cholinesterase acetylcholinesterase and pseuodocholinesterase. The first hydrolyses acetylcholine more quickly; the latter hydrolyses butyrylcholine and succinylcholine more quickly. An absence or mutation of the pseudocholinesterase enzyme leads to a medical condition known simply as pseudocholinesterase deficiency. This is a silent condition that only manifests itself when people who have the deficiency receive the muscle relaxants succinylcholine or mivacurium during a surgery.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000566","Name":"Hexafluronium bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00942","Name":"Cycrimine","DrugType":"small molecule","HalfLife":"","Description":"Cycrimine is a drug used to reduce levels of acetylcholine to return a balance with dopamine in the treatment and management of Parkinson's disease. ","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"For treatment and management of Parkinson's disease.","Toxicity":"","MechanismOfAction":"Cycrimine binds the muscarinic acetylcholine receptor M1, effectively inhibiting acetylcholine. This decrease in acetylcholine restores the normal dopamine-acetylcholine balance and relieves the symptoms of Parkinson's disease.","Pharmacodynamics":"Cycrimine is a central anticholenergic used in the treatment of the symptoms of Parkinson's disease. It is a drug used to reduce levels of acetylcholine. Acetylcholine is usually in balance with dopamine neurotransmitters, however lower levels of dopamine are present in the brain of patients suffering from Parkinson's disease. By lowering levels of acetylcholine, it is thought that this balance may be restored.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000820","Name":"Cycrimine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00943","Name":"Zalcitabine","DrugType":"small molecule","HalfLife":"2 hours","Description":"A dideoxynucleoside compound in which the 3'-hydroxyl group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of 5' to 3' phosphodiester linkages, which are needed for the elongation of DNA chains, thus resulting in the termination of viral DNA growth. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of Human immunovirus (HIV) infections in conjunction with other antivirals.","Toxicity":"Acute overdose: Inadvertent pediatric overdoses have occurred with doses up to 1.5 mg/kg zalcitabine. Chronic overdose: in an initial dose-finding study in which zalcitabine was administered at doses 25 times (0.25 mg/kg every 8 hours) the currently recommended dose, one patient discontinued zalcitabine after 1½ weeks of treatment subsequent to the development of a rash and fever.","MechanismOfAction":"Zalcitabine is a nucleoside reverse transcriptase inhibitor (NRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Within cells, zalcitabine is converted to its active metabolite, dideoxycytidine 5'-triphosphate (ddCTP), by the sequential action of cellular enzymes. ddCTP interferes with viral RNA-directed DNA polymerase (reverse transcriptase) by competing for utilization of the natural substrate deoxycytidine 5'-triphosphate (dCTP), as well as incorpating into viral DNA. Due to it's lack of a 3'-OH group, the formation of a 5' to 3' phosphodiester linkage that is necessary for DNA chain elongation is inhibited, thus leading to the termination of viral DNA growth.","Pharmacodynamics":"Zalcitabine is an analog of 2'-deoxycytidine that is pharmacologically related to but structurally different from other nucleotide reverse transcriptase inhibitors (NRTIs). Zalcitabine inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA.","Absorption":"Bioavailability is over 80% following oral administration.","Interactions":[{"ID":"DB00900"},{"ID":"DB00709"},{"ID":"DB00738"},{"ID":"DB00811"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00746","Drugs":["DB00943"]}]},{"ID":"DB00944","Name":"Demecarium","DrugType":"small molecule","HalfLife":"","Description":"Demecarium is an indirect-acting parasympathomimetic agent that is used to treat glaucoma. It is a cholinesterase inhibitor or an anticholinesterase. Cholinesterase inhibitors prolong the effect of acetylcholine, which is released at the neuroeffector junction of parasympathetic postganglion nerves, by inactivating the cholinesterases that break it down. Demecarium inactivates both pseudocholinesterase and acetylcholinesterase. In the eye, this causes constriction of the iris sphincter muscle (causing miosis) and the ciliary muscle. The outflow of the aqueous humor is facilitated, which leads to a reduction in intraocular pressure.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the topical treatment of chronic open-angle glaucoma.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e is 2.96 mg/kg in the mouse. Symptoms of overdose include nausea, vomiting, abdominal cramps, diarrhea, urinary incontinence, salivation, sweating, difficulty in breathing, bradycardia, or cardiac irregularities.","MechanismOfAction":"Demecarium is an indirect-acting parasympathomimetic agent, also known as a cholinesterase inhibitor and anticholinesterase. Cholinesterase inhibitors prolong the effect of acetylcholine, which is released at the neuroeffector junction of parasympathetic postganglion nerves, by inactivating the cholinesterases that break it down. Demecarium inactivates both pseudocholinesterase and acetylcholinesterase. In the eye, this causes constriction of the iris sphincter muscle (causing miosis) and the ciliary muscle (affecting the accommodation reflex and causing a spasm of the focus to near vision). The outflow of the aqueous humor is facilitated, which leads to a reduction in intraocular pressure. Of the two actions, the effect on the accommodation reflex is the more transient and generally disappears before termination of the miosis.","Pharmacodynamics":"Demecarium is a long-acting cholinesterase inhibitor and potent miotic. Because of its toxicity, it should be reserved for use in patients with open-angle glaucoma or other chronic glaucomas not satisfactorily controlled with the short-acting miotics and other agents. Application of demecarium to the eye produces intense miosis and ciliary muscle contraction due to inhibition of cholinesterase, allowing acetylcholine to accumulate at sites of cholinergic transmission. These effects are accompanied by increased capillary permeability of the ciliary body and iris, increased permeability of the blood-aqueous barrier, and vasodilation. Myopia may be induced or, if present, may be augmented by the increased refractive power of the lens that results from the accommodative effect of the drug.","Absorption":"","Interactions":[{"ID":"DB00382"}],"Salts":[{"ID":"DBSALT000567","Name":"Demecarium bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00945","Name":"Acetylsalicylic acid","DrugType":"small molecule","HalfLife":"The plasma half-life is approximately 15 minutes; that for salicylate lengthens as the dose increases: doses of 300 to 650 mg have a half-life of 3.1 to 3.2 hours; with doses of 1 gram, the half-life is increased to 5 hours and with 2 grams it is increased to about 9 hours.","Description":"The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Acetylsalicylic acid also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5)","Classification":{"Description":"This compound belongs to the phenol esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.","DirectParent":"Phenol Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Esters"},"Indication":"For use in the temporary relief of various forms of pain, inflammation associated with various conditions (including rheumatoid arthritis, juvenile rheumatoid arthritis, systemic lupus erythematosus, osteoarthritis, and ankylosing spondylitis), and is also used to reduce the risk of death and/or nonfatal myocardial infarction in patients with a previous infarction or unstable angina pectoris.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 250 mg/kg; Oral, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = 1010 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 200 mg/kg. Effects of overdose include: tinnitus, abdominal pain, hypokalemia, hypoglycemia, pyrexia, hyperventilation, dysrhythmia, hypotension, hallucination, renal failure, confusion, seizure, coma, and death.","MechanismOfAction":"The analgesic, antipyretic, and anti-inflammatory effects of acetylsalicylic acid are due to actions by both the acetyl and the salicylate portions of the intact molecule as well as by the active salicylate metabolite. Acetylsalicylic acid directly and irreversibly inhibits the activity of both types of cyclooxygenase (COX-1 and COX-2) to decrease the formation of precursors of prostaglandins and thromboxanes from arachidonic acid. This makes acetylsalicylic acid different from other NSAIDS (such as diclofenac and ibuprofen) which are reversible inhibitors. Salicylate may competitively inhibit prostaglandin formation. Acetylsalicylic acid's antirheumatic (nonsteroidal anti-inflammatory) actions are a result of its analgesic and anti-inflammatory mechanisms; the therapeutic effects are not due to pituitary-adrenal stimulation. The platelet aggregation-inhibiting effect of acetylsalicylic acid specifically involves the compound's ability to act as an acetyl donor to cyclooxygenase; the nonacetylated salicylates have no clinically significant effect on platelet aggregation. Irreversible acetylation renders cyclooxygenase inactive, thereby preventing the formation of the aggregating agent thromboxane A2 in platelets. Since platelets lack the ability to synthesize new proteins, the effects persist for the life of the exposed platelets (7-10 days). Acetylsalicylic acid may also inhibit production of the platelet aggregation inhibitor, prostacyclin (prostaglandin I2), by blood vessel endothelial cells; however, inhibition prostacyclin production is not permanent as endothelial cells can produce more cyclooxygenase to replace the non-functional enzyme.","Pharmacodynamics":"Acetylsalicylic acid is an analgesic, antipyretic, antirheumatic, and anti-inflammatory agent. Acetylsalicylic acid's mode of action as an antiinflammatory and antirheumatic agent may be due to inhibition of synthesis and release of prostaglandins. Acetylsalicylic acid appears to produce analgesia by virtue of both a peripheral and CNS effect. Peripherally, acetylsalicylic acid acts by inhibiting the synthesis and release of prostaglandins. Acting centrally, it would appear to produce analgesia at a hypothalamic site in the brain, although the mode of action is not known. Acetylsalicylic acid also acts on the hypothalamus to produce antipyresis; heat dissipation is increased as a result of vasodilation and increased peripheral blood flow. Acetylsalicylic acid's antipyretic activity may also be related to inhibition of synthesis and release of prostaglandins.","Absorption":"Absorption is generally rapid and complete following oral administration but may vary according to specific salicylate used, dosage form, and other factors such as tablet dissolution rate and gastric or intraluminal pH.","Interactions":[{"ID":"DB01418"},{"ID":"DB00819"},{"ID":"DB00414"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00443"},{"ID":"DB00672"},{"ID":"DB01380"},{"ID":"DB01234"},{"ID":"DB01144"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB00687"},{"ID":"DB01381"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB00400"},{"ID":"DB01109"},{"ID":"DB04865"},{"ID":"DB00741"},{"ID":"DB01050"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB00703"},{"ID":"DB00563"},{"ID":"DB00959"},{"ID":"DB01384"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01032"},{"ID":"DB00605"},{"ID":"DB00966"},{"ID":"DB01600"},{"ID":"DB00208"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00500"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00620"},{"ID":"DB00313"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00083","Drugs":["DB00142","DB00143","DB00945","DB01373","DB01593","DB04557"]}]},{"ID":"DB00946","Name":"Phenprocoumon","DrugType":"small molecule","HalfLife":"5-6 days","Description":"Coumarin derivative that acts as a long acting oral anticoagulant. [PubChem]","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"Used for the prevention and treatment of thromboembolic disease including venous thrombosis, thromboembolism, and pulmonary embolism as well as for the prevention of ischemic stroke in patients with atrial fibrillation (AF).","Toxicity":"50=500 mg/kg. Symptoms of overdose includes suspected or overt abnormal bleeding (e.g., appearance of blood in stools or urine, hematuria, excessive menstrual bleeding, melena, petechiae, excessive bruising or persistent oozing from superficial injuries).","MechanismOfAction":"Phenprocoumon inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Depression of three of the four vitamin K-dependent coagulation factors (factors II, VII, and X) results in decreased prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots.","Pharmacodynamics":"Phenprocoumon, a coumarin anticoagulant, thins the blood by antagonizing vitamin K which is required for the production of clotting factors in the liver. Anticoagulants such as phenprocoumon have no direct effect on an established thrombus, nor do they reverse ischemic tissue damage (damage caused by an inadequate blood supply to an organ or part of the body). However, once a thrombus has occurred, the goal of anticoagulant treatment is to prevent further extension of the formed clot and prevent secondary thromboembolic complications which may result in serious and possibly fatal sequelae.","Absorption":"Bioavailability is close to 100%","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00271","Drugs":["DB00946","DB01373"]}]},{"ID":"DB00947","Name":"Fulvestrant","DrugType":"small molecule","HalfLife":"40 days","Description":"Fulvestrant is a drug treatment of hormone receptor-positive metastatic breast cancer in post-menopausal women with disease progression following anti-estrogen therapy. It is an estrogen receptor antagonist with no agonist effects, which works both by down-regulating and by degrading the estrogen receptor.","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"For the treatment of hormone receptor positive metastatic breast cancer in postmenopausal women with disease progression following anti-estrogen therapy.","Toxicity":"There is no clinical experience with overdosage in humans.","MechanismOfAction":"Fulvestrant competitively and reversibly binds to estrogen receptors present in cancer cells and achieves its anti-estrogen effects through two separate mechanisms. First, fulvestrant binds to the receptors and downregulates them so that estrogen is no longer able to bind to these receptors. Second, fulvestrant degrades the estrogen receptors to which it is bound. Both of these mechanisms inhibit the growth of tamoxifen-resistant as well as estrogen-sensitive human breast cancer cell lines.","Pharmacodynamics":"Fulvestrant for intramuscular administration is an estrogen receptor antagonist without known agonist effects.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00948","Name":"Mezlocillin","DrugType":"small molecule","HalfLife":"1.3 to 4.4 hours","Description":"Semisynthetic ampicillin-derived acylureido penicillin. It has been proposed for infections with certain anaerobes and may be useful in inner ear, bile, and CNS infections. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to treat serious gram\u0026ndash;negative infections of the lungs, urinary tract, and skin.","Toxicity":"Symptoms of overdose include rash, fever, chills, and peeling skin.","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, mezlocillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that mezlocillin interferes with an autolysin inhibitor.","Pharmacodynamics":"Mezlocillin is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name \"penicillin\" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Mezlocillin has \u003ci\u003ein vitro\u003c/i\u003e activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of mezlocillin results from the inhibition of cell wall synthesis and is mediated through mezlocillin binding to penicillin binding proteins (PBPs). Mezlocillin is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases. Mezlocillin can be used to treat susceptible strains of \u003ci\u003eH. influenzae\u003c/i\u003e, \u003ci\u003eKlebsiella\u003c/i\u003e species, \u003ci\u003ePseudomonas\u003c/i\u003e species, \u003ci\u003eProteus mirabilis\u003c/i\u003e, \u003ci\u003eE. coli\u003c/i\u003e, \u003ci\u003eEnterobacter\u003c/i\u003e species, \u003ci\u003eStreptococcus faecelis\u003c/i\u003e, \u003ci\u003ePeptococcus\u003c/i\u003e species, \u003ci\u003ePeptostreptococcus\u003c/i\u003e species, \u003ci\u003eBacteriodes\u003c/i\u003e species (including \u003ci\u003eB. fragilis\u003c/i\u003e), \u003ci\u003eMorganella morganii\u003c/i\u003e, \u003ci\u003eSerratia\u003c/i\u003e species, \u003ci\u003eN. gonorrhoeae\u003c/i\u003e, \u003ci\u003eP. vulgaris\u003c/i\u003e, and \u003ci\u003eProvidencia rettgeri\u003c/i\u003e. This drug is discontinued in the U.S.","Absorption":"","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00949","Name":"Felbamate","DrugType":"small molecule","HalfLife":"20-23 hours","Description":"Felbamate is an anticonvulsant drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. It has a weak inhibitory effect on GABA receptor binding sites.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For use only in those patients who respond inadequately to alternative treatments and whose epilepsy is so severe that a substantial risk of aplastic anemia and/or liver failure is deemed acceptable in light of the benefits conferred by its use.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=5000 mg/kg (Orally in rats)","MechanismOfAction":"The mechanism by which felbamate exerts its anticonvulsant activity is unknown, but in animal test systems designed to detect anticonvulsant activity, felbamate has properties in common with other marketed anticonvulsants. \u003ci\u003eIn vitro\u003c/i\u003e receptor binding studies suggest that felbamate may be an antagonist at the strychnine-insensitive glycine-recognition site of the N-methyl-D-aspartate (NMDA) receptor-ionophore complex. Antagonism of the NMDA receptor glycine binding site may block the effects of the excitatory amino acids and suppress seizure activity. Animal studies indicate that felbamate may increase the seizure threshold and may decrease seizure spread. It is also indicated that felbamate has weak inhibitory effects on GABA-receptor binding, benzodiazepine receptor binding.","Pharmacodynamics":"Felbamate is an antiepileptic indicated as monotherapy or as an adjunct to other anticonvulsants for the treatment of partial seizures resulting from epilepsy. Receptor-binding studies \u003ci\u003ein vitro\u003c/i\u003e indicate that felbamate has weak inhibitory effects on GABA-receptor binding, benzodiazepine receptor binding, and is devoid of activity at the MK-801 receptor binding site of the NMDA receptor-ionophore complex. However, felbamate does interact as an antagonist at the strychnine-insensitive glycine recognition site of the NMDA receptor-ionophore complex.","Absorption":"\u003e90%","Interactions":[{"ID":"DB00564"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB01369"},{"ID":"DB00976"},{"ID":"DB00427"},{"ID":"DB08867"},{"ID":"DB00313"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00633","Drugs":["DB00949","DB01593"]}]},{"ID":"DB00950","Name":"Fexofenadine","DrugType":"small molecule","HalfLife":"14.4 hours","Description":"Fexofenadine hydrochloride (Allegra) is an antihistamine drug used in the treatment of hayfever and similar allergy symptoms. It was developed as a successor of and alternative to terfenadine. Fexofenadine, like other second and third-generation antihistamines, does not readily pass through the blood-brain barrier, and so causes less drowsiness than first-generation histamine-receptor antagonists.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For management of Seasonal allergic rhinitis","Toxicity":"Side effects include dizziness, drowsiness, and dry mouth.","MechanismOfAction":"Like other H1-blockers, Fexofenadine competes with free histamine for binding at H1-receptors in the GI tract, large blood vessels, and bronchial smooth muscle. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms (eg. nasal congestion, watery eyes) brought on by histamine. Fexofenadine exhibits no anticholinergic, antidopaminergic, alpha1-adrenergic or beta-adrenergic-receptor blocking effects.","Pharmacodynamics":"Fexofenadine is a second-generation, long lasting H1-receptor antagonist (antihistamine) which has a selective and peripheral H1-antagonist action. Histamine is a chemical that causes many of the signs that are part of allergic reactions, such as the swelling of tissues. Histamine is released from histamine-storing cells (mast cells) and attaches to other cells that have receptors for histamine. The attachment of the histamine to the receptors causes the cell to be \"activated,\" releasing other chemicals which produce the effects that we associate with allergy. Fexofenadine blocks one type of receptor for histamine (the H1 receptor) and thus prevents activation of cells by histamine. Unlike most other antihistamines, Fexofenadine does not enter the brain from the blood and, therefore, does not cause drowsiness. Fexofenadine lacks the cardiotoxic potential of terfenadine, since it does not block the potassium channel involved in repolarization of cardiac cells.","Absorption":"33%","Interactions":[{"ID":"DB00604"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00951","Name":"Isoniazid","DrugType":"small molecule","HalfLife":"Fast acetylators: 0.5 to 1.6 hours. Slow acetylators: 2 to 5 hours.","Description":"Antibacterial agent used primarily as a tuberculostatic. It remains the treatment of choice for tuberculosis. [PubChem]","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.","DirectParent":"Pyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"For the treatment of all forms of tuberculosis in which organisms are susceptible.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e 100 mg/kg (Human, oral). Adverse reactions include rash, abnormal liver function tests, hepatitis, peripheral neuropathy, mild central nervous system (CNS) effects. In vivo, Isoniazid reacts with pyridoxal to form a hydrazone, and thus inhibits generation of pyridoxal phosphate. Isoniazid also combines with pyridoxal phosphate; high doses interfere with the coenzyme function of the latter.","MechanismOfAction":"Isoniazid is a prodrug and must be activated by bacterial catalase. Specficially, activation is associated with reduction of the mycobacterial ferric KatG catalase-peroxidase by hydrazine and reaction with oxygen to form an oxyferrous enzyme complex. Once activated, isoniazid inhibits the synthesis of mycoloic acids, an essential component of the bacterial cell wall. At therapeutic levels isoniazid is bacteriocidal against actively growing intracellular and extracellular \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e organisms. Specifically isoniazid inhibits InhA, the enoyl reductase from \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e, by forming a covalent adduct with the NAD cofactor. It is the INH-NAD adduct that acts as a slow, tight-binding competitive inhibitor of InhA.","Pharmacodynamics":"Isoniazid is a bactericidal agent active against organisms of the genus Mycobacterium, specifically \u003ci\u003eM. tuberculosis\u003c/i\u003e, \u003ci\u003eM. bovis\u003c/i\u003e and \u003ci\u003eM. kansasii\u003c/i\u003e. It is a highly specific agent, ineffective against other microorganisms. Isoniazid is bactericidal to rapidly-dividing mycobacteria, but is bacteriostatic if the mycobacterium is slow-growing.","Absorption":"Readily absorbed following oral administration; however, may undergo significant first pass metabolism. Absorption and bioavailability are reduced when isoniazid is administered with food.","Interactions":[{"ID":"DB01418"},{"ID":"DB00316"},{"ID":"DB01223"},{"ID":"DB01125"},{"ID":"DB01558"},{"ID":"DB00564"},{"ID":"DB00395"},{"ID":"DB01219"},{"ID":"DB00266"},{"ID":"DB00822"},{"ID":"DB00651"},{"ID":"DB06210"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01026"},{"ID":"DB00532"},{"ID":"DB01303"},{"ID":"DB00454"},{"ID":"DB00252"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00277"},{"ID":"DB00906"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00682"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00952","Name":"Naratriptan","DrugType":"small molecule","HalfLife":"5-8 hours","Description":"Naratriptan is a triptan drug used for the treatment of migraine headaches. It is a selective 5-hydroxytryptamine1 receptor subtype agonist.","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"For the acute treatment of migraine attacks with or without aura in adults.","Toxicity":"Symptoms of overdose include light-headedness, loss of coordination, tension in the neck, and tiredness.","MechanismOfAction":"Three distinct pharmacological actions have been implicated in the antimigraine effect of the triptans: (1) stimulation of presynaptic 5-HT1D receptors, which serves to inhibit both dural vasodilation and inflammation; (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism.","Pharmacodynamics":"Naratriptan is a selective agonist of serotonin (5-hydroxytryptamine; 5-HT) type 1B and 1D receptors. It is structurally and pharmacologically related to other selective 5-HT1B/1D receptor agonist. Naratriptan has only a weak affinity for 5-HT\u003csub\u003e1A\u003c/sub\u003e, 5-HT\u003csub\u003e5A\u003c/sub\u003e, and 5-HT\u003csub\u003e7\u003c/sub\u003e receptors and no significant affinity or pharmacological activity at 5-HT\u003csub\u003e2\u003c/sub\u003e, 5-HT\u003csub\u003e3\u003c/sub\u003e or 5-HT\u003csub\u003e4\u003c/sub\u003e receptor subtypes or at alpha1-, alpha2-, or beta-adrenergic, dopamine1,; dopamine2; muscarinic, or benzodiazepine receptors. This action in humans correlates with the relief of migraine headache. In addition to causing vasoconstriction, experimental data from animal studies show that Naratriptan also activates 5-HT\u003csub\u003e1\u003c/sub\u003e receptors on peripheral terminals of the trigeminal nerve innervating cranial blood vessels, which may also contribute to the antimigrainous effect of Naratriptan in humans.","Absorption":"Well absorbed (74% oral biovaility), absorption is rapid with peak plasma concentrations after 2-5 hours. The rate of absorption is slower during a migraine attack.","Interactions":[{"ID":"DB00215"},{"ID":"DB06700"},{"ID":"DB00320"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01247"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB01149"},{"ID":"DB00715"},{"ID":"DB00780"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00953","Name":"Rizatriptan","DrugType":"small molecule","HalfLife":"2-3 hours","Description":"Rizatriptan is a triptan drug used for the treatment of migraine headaches. It is a selective 5-hydroxytryptamine1 receptor subtype agonist.","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"For treatment of acute migraine attacks with or without aura.","Toxicity":"Symptoms of overdose include dizziness, fainting, heart and blood vessel problems, high blood pressure, loss of bowel and bladder control, slow heartbeat, and vomiting.","MechanismOfAction":"Three distinct pharmacological actions have been implicated in the antimigraine effect of the triptans: (1) stimulation of presynaptic 5-HT1D receptors, which serves to inhibit both dural vasodilation and inflammation; (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism.","Pharmacodynamics":"Rizatriptan is a selective agonist of serotonin (5-hydroxytryptamine; 5-HT) type 1B and 1D receptors. It is structurally and pharmacologically related to other selective 5-HT1B/1D receptor agonists and has only a weak affinity for 5-HT\u003csub\u003e1A\u003c/sub\u003e, 5-HT\u003csub\u003e5A\u003c/sub\u003e, and 5-HT\u003csub\u003e7\u003c/sub\u003e receptors and no significant affinity or pharmacological activity at 5-HT\u003csub\u003e2\u003c/sub\u003e, 5-HT\u003csub\u003e3\u003c/sub\u003e or 5-HT\u003csub\u003e4\u003c/sub\u003e receptor subtypes or at alpha1-, alpha2-, or beta-adrenergic, dopamine1,; dopamine2; muscarinic, or benzodiazepine receptors. This action in humans correlates with the relief of migraine headache. In addition to causing vasoconstriction, experimental data from animal studies show that Rizatriptan also activates 5-HT\u003csub\u003e1\u003c/sub\u003e receptors on peripheral terminals of the trigeminal nerve innervating cranial blood vessels, which may also contribute to the antimigrainous effect of Rizatriptan in humans.","Absorption":"Rapid following oral administration. Bioavailability is 45%. Food has no effect on the bioavailability of rizatriptan. However, administering rizatriptan with food will delay by 1 hour the time to reach peak plasma concentration. The rate of absorption is not affected by the presence of a migraine attack.","Interactions":[{"ID":"DB00215"},{"ID":"DB06700"},{"ID":"DB00320"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01247"},{"ID":"DB00247"},{"ID":"DB01171"},{"ID":"DB01149"},{"ID":"DB00715"},{"ID":"DB00780"},{"ID":"DB00571"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00954","Name":"Dirithromycin","DrugType":"small molecule","HalfLife":"The mean plasma half-life of erythromycylamine was estimated to be about 8 h (2 to 36 h), with a mean urinary terminal elimination half-life of about 44 h (16 to 65 h) in patients with normal renal function.","Description":"Dirithromycin is a macrolide glycopeptide antibiotic. It is used to treat many different types of bacterial infections, such as bronchitis, pneumonia, tonsillitis, and even skin infections.","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"For the treatment of the following mild-to-moderate infections caused by susceptible strains of microorganisms: acute bacterial exacerbations of chronic bronchitis, secondary bacterial infection of acute bronchitis, community-acquired pneumonia, pharyngitis/tonsilitis, and uncomplicated skin and skin structure infections.","Toxicity":"The toxic symptoms following an overdose of a macrolide antibiotic may include nausea, vomiting, epigastric distress, and diarrhea.","MechanismOfAction":"Dirithromycin prevents bacteria from growing, by interfering with their protein synthesis. Dirithromycin binds to the 50S subunit of the 70S bacterial ribosome, and thus inhibits the translocation of peptides. Dirithromycin has over 10 times higher affinity to the subunit 50S than erythromycin. In addition, dirithromycin binds simultaneously in to two domains of 23S RNA of the ribosomal subunit 50S, where older macrolides bind only in one. Dirithromycin can also inhibit the formation of ribosomal subunits 50S and 30S.","Pharmacodynamics":"Dirithromycin is a pro-drug which is converted non-enzymatically during intestinal absorption into the microbiologically active moiety erythromycylamine. Erythromycylamine exerts its activity by binding to the 50S ribosomal subunits of susceptible mircoorganisms resulting in inhibition of protein synthesis. Dirithromycin/erythromycylamine has been shown to be active against most strains of the following microorganisms both in vitro and in clinical infections: \u003ci\u003eStaphylococcus aureus\u003c/i\u003e (methicillin-susceptible strains only), \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e, \u003ci\u003eLegionella pneumophila\u003c/i\u003e, \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e, and \u003ci\u003eMycoplasma pneumoniae\u003c/i\u003e.","Absorption":"Oral dirithromycin is rapidly absorbed, with an absolute bioavailability of approximately 10%. Dietary fat has little or no effect on the bioavailability of dirithromycin.","Interactions":[{"ID":"DB00243"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00955","Name":"Netilmicin","DrugType":"small molecule","HalfLife":"2.5 hours","Description":"Netilmicin is a semisynthetic 1-N-ethyl derivative of sisomycin, an aminoglycoside antibiotic with action similar to gentamicin, but less ear and kidney toxicity. [PubChem] Netilmicin inhibits protein synthesis in susceptible organisms by binding to the bacterial 30S ribosomal subunit and interfering with mRNA binding and the acceptor tRNA site. The bactericidal effect of netilmiicin is not fully understood. ","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For the treatment of bacteremia, septicaemia, respiratory tract infections, skin and soft-tissue infection, burns, wounds, and peri-operative infections caused by susceptible strains.","Toxicity":"Netilmicin has nephrotoxic and ototoxic potential. Nephrotoxicity occurs via drug accumulation in renal proximal tubular cells resulting in cellular damage. Tubular cells may regenerate despite continued exposure and nephrotoxicity is usually mild and reversible. Netilmicin is less nephrotoxic than neomycin, gentamicin, tobramycin, and amikacin, likely due to a reduced number of cationic amino groups in its structure. Otoxicity occurs as a result of irreversible damage to hair cells of the cochlea and/or summit of the ampullar cristae in the vestibular complex caused drug accumulation in the endolymph and perilymph of the inner ear. Otoxicity appears to be correlated to total exposure and may be cumulative with further doses of aminoglycosides or other ototoxic drugs (e.g. cisplatin, furosemide). High frequency hearing loss is followed by low frequency hearing loss, which may be followed by retrograde degeneration of the auditory nerve. Vestibular toxicity may cause vertigo, nausea and vomiting, dizziness and loss of balance. ","MechanismOfAction":"Aminoglycosides like netilmicin \"irreversibly\" bind to specific 30S-subunit proteins and 16S rRNA. Specifically netilmicin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to interference with the initiation complex, misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes, leaving the bacterium unable to synthesize proteins vital to its growth.","Pharmacodynamics":"Netilmicin is a semisynthetic, water soluble antibiotic of the aminoglycoside group, produced by the fermentation of Micromonospora inyoensis, a species of actinomycete. Aminoglycosides are useful primarily in infections involving aerobic, Gram-negative bacteria, such as Pseudomonas, Acinetobacter, and Enterobacter. It is active at low concentrations against a wide variety of pathogenic bacteria including \u003ci\u003eEscherichia coli\u003c/i\u003e, bacteria of the \u003ci\u003eKlebsiella-Enterobacter-Serratia \u003c/i\u003egroup, \u003ci\u003eCitrobacter \u003c/i\u003esp., \u003ci\u003eProteus \u003c/i\u003esp. (indole-positive and indole-negative), including \u003ci\u003eProteus mirabilis\u003c/i\u003e, \u003ci\u003eP. morganii, P. rettgrei, P. vulgaris, Pseudomonas aeruginosa \u003c/i\u003eand \u003ci\u003eNeisseria gonorrhoea\u003c/i\u003e. Netilmicin is also active \u003ci\u003ein vitro \u003c/i\u003eagainst isolates of \u003ci\u003eHemophilus influenzae, Salmonella \u003c/i\u003esp., \u003ci\u003eShigella \u003c/i\u003esp. and against penicillinase and non-penicillinase-producing \u003ci\u003eStaphylococcus \u003c/i\u003eincluding methicillin-resistant strains. Some strains of \u003ci\u003eProvidencia \u003c/i\u003esp., \u003ci\u003eAcinetobacter \u003c/i\u003esp. and \u003ci\u003eAeromonas \u003c/i\u003esp. are also sensitive to netilmicin. Many strains of the above organisms which are found to be resistant to other aminoglycosides, such as kanamycin, gentamicin, tobramycin and sisomicin, are susceptible to netilmicin \u003ci\u003ein vitro\u003c/i\u003e. Occasionally, strains have been identified which are resistant to amikacin but susceptible to netilmicin. The combination of netilmicin and penicillin G has a synergistic bactericidal effect against most strains of \u003ci\u003eStreptococcus faecalis\u003c/i\u003e (enterococcus). The combined effect of netilmicin and carbenicillin or ticarcillin is synergistic for many strains of \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e. In addition, many isolates of \u003ci\u003eSerratia\u003c/i\u003e, which are resistant to multiple antibiotics, are inhibited by synergistic combinations of netilmicin with carbenicillin, azlocillin, mezlocillin, cefamandole, cefotaxime or moxalactam. Aminoglycosides are mostly ineffective against anaerobic bacteria, fungi and viruses.","Absorption":"Rapidly and completely absorbed after IM administration, peak serum levels were achieved within 30-60 minutes. Aminoglycosides are poorly absorbed orally. Topical absorption is also poor unless severe skin damage is present. ","Interactions":[{"ID":"DB00732"},{"ID":"DB00887"},{"ID":"DB01326"},{"ID":"DB01139"},{"ID":"DB01327"},{"ID":"DB01328"},{"ID":"DB01329"},{"ID":"DB00923"},{"ID":"DB00493"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB01333"},{"ID":"DB00438"},{"ID":"DB01332"},{"ID":"DB01212"},{"ID":"DB01112"},{"ID":"DB03450"},{"ID":"DB00515"},{"ID":"DB01135"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB01336"},{"ID":"DB01226"},{"ID":"DB01337"},{"ID":"DB01338"},{"ID":"DB00728"},{"ID":"DB00202"},{"ID":"DB00864"},{"ID":"DB01041"},{"ID":"DB00214"},{"ID":"DB01199"},{"ID":"DB01339"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00257","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00955","DB01972","DB02431","DB03685"]}]},{"ID":"DB00956","Name":"Hydrocodone","DrugType":"small molecule","HalfLife":"1.25-3 hours","Description":"Narcotic analgesic related to codeine, but more potent and more addicting by weight. It is used also as cough suppressant. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For relief of moderate to moderately severe pain. Also used for the symptomatic relief of nonproductive cough, alone or in combination with other antitussives or expectorants.","Toxicity":"Symptoms of overdose include respiratory depression (a decrease in respiratory rate and/or tidal volume, Cheyne-Stokes respiration, cyanosis), extreme somnolence progressing to stupor or coma, skeletal muscle flaccidity, dizziness, ringing in the ears, confusion, blurred vision, eye problems, cold and clammy skin, and sometimes bradycardia and hypotension. In severe overdose, apnea, circulatory collapse, cardiac arrest and death may occur. LD\u003csub\u003e50\u003c/sub\u003e=85.7mg/kg (subcutaneous, in mice).","MechanismOfAction":"Hydrocodone acts as a weak agonist at OP1, OP2, and OP3 opiate receptors within the central nervous system (CNS). Hydrocodone primarily affects OP3 receptors, which are coupled with G-protein receptors and function as modulators, both positive and negative, of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine, and noradrenaline is inhibited. Opioids such as hydrocodone also inhibit the release of vasopressin, somatostatin, insulin, and glucagon. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Hydrocodone, a semisynthetic opiate agonist and hydrogenated ketone derivative, is similar to other phenanthrene derivatives, such as codeine. Used as an analgesic, hydrocodone is combined with acetaminophen, ibuprofen, or aspirin to treat pain. Used as an antitussive, hydrocodone is combined with phenylephrine, pseudoephedrine, phenylpropanolamine, guaifenesin, pyrilamine, pheniramine, or chlorpheniramine. Opiate agonists exert their principal pharmacologic effect at specific receptor binding sites in the CNS and other tissues. There are several subtypes of opiate receptors including the mu receptor (localized in pain modulating regions of the CNS), the kappa receptor (localized in the deep layers of the cerebral cortex), the delta receptor (localized in the limbic regions of the CNS), and the sigma receptor (thought to mediate the dysphoric and psychotomimetic effects of some opiate partial agonists). Agonist activity at the mu or kappa receptor can result in analgesia, miosis, and/or decreased body temperature. Agonist activity at the mu receptor can also result in suppression of opiate withdrawal, whereas antagonist activity can result in precipitation of withdrawal. Opiate agonists act at several sites within the CNS involving several systems of neurotransmitters to produce analgesia, but the precise mechanism of action has not been fully determined. Opiate agonists do not alter the threshold or responsiveness of afferent nerve endings to noxious stimuli nor the conduction of impulses along peripheral nerves. Instead, they alter the perception of pain at the spinal cord and higher levels in the CNS and the person's emotional response to pain.","Absorption":"Well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB06274"},{"ID":"DB06210"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00411","Drugs":["DB00368","DB00956","DB00988","DB01345","DB01373"]}]},{"ID":"DB00957","Name":"Norgestimate","DrugType":"small molecule","HalfLife":"12-30 hours","Description":"Norgestimate is a form of progesterone, which is a female hormone important for the regulation of ovulation and menstruation. Norgestimate is used with estradiol to treat the symptoms of menopause.","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"For the prevention of pregnancy","Toxicity":"","MechanismOfAction":"Norgestimate binds to androgen and progestogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like Norgestimate will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge.","Pharmacodynamics":"Norgestimate is used as a female contraceptive. Norgestimate is a progestin or a synthetic form of the naturally occurring female sex hormone, progesterone. In a woman's normal menstrual cycle, an egg matures and is released from the ovaries (ovulation). The ovary then produces progesterone, preventing the release of further eggs and priming the lining of the womb for a possible pregnancy. If pregnancy occurs, progesterone levels in the body remain high, maintaining the womb lining. If pregnancy does not occur, progesterone levels in the body fall, resulting in a menstrual period. Norgestimate tricks the body processes into thinking that ovulation has already occurred, by maintaining high levels of the synthetic progesterone. This prevents the release of eggs from the ovaries.","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB00307"},{"ID":"DB00930"},{"ID":"DB00599"},{"ID":"DB00755"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00958","Name":"Carboplatin","DrugType":"small molecule","HalfLife":"Initial plasma half-life (alpha) = 1.1 to 2 hours;\r\nPost distribution plasma half-life (beta) = 2.6 - 5.9 hours. ","Description":"An organoplatinum compound that possesses antineoplastic activity. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For the initial treatment of advanced ovarian carcinoma in established combination with other approved chemotherapeutic agents. One established combination regimen consists of PARAPLATIN and cyclophosphamide. It is also indicated for the palliative treatment of patients with ovarian carcinoma recurrent after prior chemotherapy, including patients who have been previously treated with cisplatin. ","Toxicity":"Toxic by ingestion. May be create toxic effect through inhalation or skin contact. May cause reproductive defects. May act as a sensitizer.\r\nORL-RAT LD\u003csub\u003e50\u003c/sub\u003e 343 mg kg-1; SCN-RAT LD\u003csub\u003e50\u003c/sub\u003e 72 mg kg-1; IPN-MUS LD\u003csub\u003e50\u003c/sub\u003e 118 mg kg-1","MechanismOfAction":"Alkylating agents work by three different mechanisms: 1) attachment of alkyl groups to DNA bases, resulting in the DNA being fragmented by repair enzymes in their attempts to replace the alkylated bases, preventing DNA synthesis and RNA transcription from the affected DNA, 2) DNA damage via the formation of cross-links (bonds between atoms in the DNA) which prevents DNA from being separated for synthesis or transcription, and 3) the induction of mispairing of the nucleotides leading to mutations.","Pharmacodynamics":"Carboplatin is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death.","Absorption":"The Cmax values and areas under the plasma concentration versus time curves from 0 to infinity (AUC inf) increase linearly with dose, although the increase was slightly more than dose proportional. Carboplatin exhibits linear pharmacokinetics. ","Interactions":[{"ID":"DB06769"},{"ID":"DB01248"},{"ID":"DB01320"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB01229"},{"ID":"DB00252"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB00398"},{"ID":"DB00864"},{"ID":"DB01030"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00959","Name":"Methylprednisolone","DrugType":"small molecule","HalfLife":"1-3 hours","Description":"A prednisolone derivative with similar anti-inflammatory action. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"Adjunctive therapy for short-term administration in rheumatoid arthritis.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=2000 mg/kg (orally in rat)","MechanismOfAction":"Unbound glucocorticoids cross cell membranes and bind with high affinity to specific cytoplasmic receptors, modifying transcription and protein synthesis. By this mechanism, glucocorticoids can inhibit leukocyte infiltration at the site of inflammation, interfere with mediators of inflammatory response, and suppress humoral immune responses. The antiinflammatory actions of corticosteroids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes.","Pharmacodynamics":"Methylprednisolone and its derivatives, methylprednisolone sodium succinate and methylprednisolone acetate, are synthetic glucocorticoids used as antiinflammatory or immunosuppressive agents.","Absorption":"Oral bioavailability 80-99%","Interactions":[{"ID":"DB00945"},{"ID":"DB00673"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB00199"},{"ID":"DB01320"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00211"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB01369"},{"ID":"DB01045"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00072"},{"ID":"DB01339"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00960","Name":"Pindolol","DrugType":"small molecule","HalfLife":"3 to 4 hours","Description":"A moderately lipophilic beta blocker (adrenergic beta-antagonists). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638)","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=263 mg/kg (orally in rats). Signs of overdose include excessive bradycardia, cardiac failure, hypotension, and bronchospasm.","MechanismOfAction":"Pindolol non-selectively blocks beta-1 adrenergic receptors mainly in the heart, inhibiting the effects of epinephrine and norepinephrine resulting in a decrease in heart rate and blood pressure. By binding beta-2 receptors in the juxtaglomerular apparatus, Pindolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production and therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively.","Pharmacodynamics":"Pindolol is a non-selective beta-adrenergic antagonist (beta-blocker) which possesses intrinsic sympathomimetic activity (ISA) in therapeutic dosage ranges but does not possess quinidine-like membrane stabilizing activity. Pindolol impairs AV node conduction and decreases sinus rate and may also increase plasma triglycerides and decrease HDL-cholesterol levels. Pindolol is nonpolar and hydrophobic, with low to moderate lipid solubility. Pindolol has little to no intrinsic sympathomimetic activity and, unlike some other beta-adrenergic blocking agents, pindolol has little direct myocardial depressant activity and does not have an anesthetic-like membrane-stabilizing action.","Absorption":"Rapidly and reproducibly absorbed (bioavailability greater than 95%).","Interactions":[{"ID":"DB00414"},{"ID":"DB01223"},{"ID":"DB00477"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB00651"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00933"},{"ID":"DB00968"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB01303"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB01366"},{"ID":"DB00912"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00306","Drugs":["DB00960","DB01345","DB01373"]}]},{"ID":"DB00961","Name":"Mepivacaine","DrugType":"small molecule","HalfLife":"The half-life of mepivacaine in adults is 1.9 to 3.2 hours and in neonates 8.7 to 9 hours.","Description":"A local anesthetic that is chemically related to bupivacaine but pharmacologically related to lidocaine. It is indicated for infiltration, nerve block, and epidural anesthesia. Mepivacaine is effective topically only in large doses and therefore should not be used by this route. (From AMA Drug Evaluations, 1994, p168)","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For production of local or regional analgesia and anesthesia by local infiltration, peripheral nerve block techniques, and central neural techniques including epidural and caudal blocks.","Toxicity":"The mean seizure dosage of mepivacaine in rhesus monkeys was found to be 18.8 mg/kg with mean arterial plasma concentration of 24.4 \u0026micro;g/mL. The intravenous and subcutaneous LD 50 in mice is 23 mg/kg to 35 mg/kg and 280 mg/kg respectively.","MechanismOfAction":"Local anesthetics block the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse, and by reducing the rate of rise of the action potential. In general, the progression of anesthesia is related to the diameter, myelination, and conduction velocity of affected nerve fibers. Clinically, the order of loss of nerve function is as follows: pain, temperature, touch, proprioception, and skeletal muscle tone.","Pharmacodynamics":"Mepivicaine is a local anesthetic of the amide type. Mepivicaine as a reasonably rapid onset and medium duration and is known by the proprietary names as Carbocaine and Polocaine. Mepivicaine is used in local infiltration and regional anesthesia. Systemic absorption of local anesthetics produces effects on the cardiovascular and central nervous systems. At blood concentrations achieved with normal therapeutic doses, changes in cardiac conduction, excitability, refractoriness, contractility, and peripheral vascular resistance are minimal.","Absorption":"Absorbed locally. The rate of systemic absorption of local anesthetics is dependent upon the total dose and concentration of drug administered, the route of administration, the vascularity of the administration site, and the presence or absence of epinephrine in the anesthetic solution.","Interactions":null,"Salts":[{"ID":"DBSALT000478","Name":"Mepivacaine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00399","Drugs":["DB00368","DB00961","DB00988","DB01345","DB01373"]}]},{"ID":"DB00962","Name":"Zaleplon","DrugType":"small molecule","HalfLife":"Approximately 1 hour","Description":"Zaleplon is a sedative/hypnotic, mainly used for insomnia. It is known as a nonbenzodiazepine hypnotic. Zaleplon interacts with the GABA receptor complex and shares some of the pharmacological properties of the benzodiazepines. Zaleplon is a schedule IV drug in the United States.","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the treatment of short-term treatment of insomnia in adults.","Toxicity":"Side effects include abdominal pain, amnesia, dizziness, drowsiness, eye pain, headache, memory loss, menstrual pain, nausea, sleepiness, tingling, weakness","MechanismOfAction":"Zaleplon exerts its action through subunit modulation of the GABA\u003csub\u003eB\u003c/sub\u003eZ receptor chloride channel macromolecular complex. Zaleplon also binds selectively to the brain omega-1 receptor located on the alpha subunit of the GABA-A/chloride ion channel receptor complex and potentiates t-butyl-bicyclophosphorothionate (TBPS) binding.","Pharmacodynamics":"Zaleplon is a nonbenzodiazepine hypnotic from the pyrazolopyrimidine class and is indicated for the short-term treatment of insomnia. While Zaleplon is a hypnotic agent with a chemical structure unrelated to benzodiazepines, barbiturates, or other drugs with known hypnotic properties, it interacts with the gamma-aminobutyric acid-benzodiazepine (GABA\u003csub\u003eB\u003c/sub\u003eZ) receptor complex. Subunit modulation of the GABA\u003csub\u003eB\u003c/sub\u003eZ receptor chloride channel macromolecular complex is hypothesized to be responsible for some of the pharmacological properties of benzodiazepines, which include sedative, anxiolytic, muscle relaxant, and anticonvulsive effects in animal models. Zaleplon also binds selectively to the CNS GABA\u003csub\u003eA\u003c/sub\u003e-receptor chloride ionophore complex at benzodiazepine(BZ) omega-1 (BZ1, ο1) receptors. ","Absorption":"Absorption Zaleplon is rapidly and almost completely absorbed following oral administration.","Interactions":[{"ID":"DB00501"},{"ID":"DB01403"},{"ID":"DB01045"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"illicit":true,"investigational":true},"Pathways":null},{"ID":"DB00963","Name":"Bromfenac","DrugType":"small molecule","HalfLife":"","Description":"Bromfenac is a nonsteroidal anti-inflammatory drug (NSAID) for ophthalmic use. Ophthalmic NSAIDs are becoming a cornerstone for the management of ocular pain and inflammation. Their well-characterized anti-inflammatory activity, analgesic property, and established safety record have also made NSAIDs an important tool to optimize surgical outcomes.","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"For the treatment of postoperative inflammation in patients who have undergone cataract extraction.","Toxicity":"","MechanismOfAction":"The mechanism of its action is thought to be due to its ability to block prostaglandin synthesis by inhibiting cyclooxygenase 1 and 2. Prostaglandins have been shown in many animal models to be mediators of certain kinds of intraocular inflammation. In studies performed in animal eyes, prostaglandins have been shown to produce disruption of the blood-aqueous humor barrier, vasodilation, increased vascular permeability, leukocytosis, and increased intraocular pressure.","Pharmacodynamics":"Bromfenac ophthalmic solution is a sterile, topical, nonsteroidal anti-inflammatory drug (NSAID) for ophthalmic use.","Absorption":"The plasma concentration of bromfenac following ocular administration in humans is unknown.","Interactions":[{"ID":"DB06781"},{"ID":"DB06210"}],"Salts":[{"ID":"DBSALT000356","Name":"Bromfenac sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00102","Drugs":["DB00142","DB00143","DB00963","DB01373","DB01593","DB04557"]}]},{"ID":"DB00964","Name":"Apraclonidine","DrugType":"small molecule","HalfLife":"8 hours","Description":"Apraclonidine, also known as iopidine, is a sympathomimetic used in glaucoma therapy. It is an alpha2-adrenergic agonist.","Classification":{"Description":"This compound belongs to the dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.","DirectParent":"Dichlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For prevention or reduction of intraoperative and postoperative increases in intraocular pressure (IOP) before and after ocular laser surgery when used prophylactically. Also used as a short-term adjunctive therapy in patients with open-angle glaucoma who are on maximally tolerated medical therapy requiring additional IOP reduction.","Toxicity":"Accidental or intentional ingestion of oral apraclonidine has been reported to cause apnea, arrhythmias, asthenia, bradycardia, conduction defects, diminished or absent reflexes, dryness of the mouth, hypotension, hypothermia, hypoventilation, irritability, lethargy, miosis, pallor, respiratory depression, sedation or coma, seizure, somnolence, transient hypertension, and vomiting.","MechanismOfAction":"Apraclonidine is a relatively selective alpha2 adrenergic receptor agonist that stimulates alpha1 receptors to a lesser extent. It has a peak ocular hypotensive effect occurring at two hours post-dosing. The exact mechanism of action is unknown, but fluorophotometric studies in animals and humans suggest that Apraclonidine has a dual mechanism of action by reducing aqueous humor production through the constriction of afferent ciliary process vessels, and increasing uveoscleral outflow.","Pharmacodynamics":"Apraclonidine significantly lowers intraocular pressure with minimal effects on cardiovascular and pulmonary parameters. It lowers intraocular pressure by reducing aqueous humor production and increasing uveoscleral outflow.","Absorption":"Topical use of apraclonidine ophthalmic solution leads to systemic absorption. Studies of apraclonidine (0.5% ophthalmic solution) dosed one drop three times a day in both eyes for 10 days in normal volunteers yielded mean peak and trough concentrations of 0.9 ng/mL and 0.5 ng/mL, respectively.","Interactions":[{"ID":"DB00752"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000819","Name":"Apraclonidine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00965","Name":"Ethiodized oil","DrugType":"small molecule","HalfLife":"","Description":"Ethiodized oil is used by injection as a radio-opaque contrast agent. It is composed of iodine combined with ethyl esters of fatty acids of poppyseed oil, primarily as ethyl monoiodostearate and ethyl diiodostearate. The precise structure is not known.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For use as a radio-opaque medium for hysterosalpingography and lymphography, and as an antineoplastic agent when part of the iodine is 131-I. It is also used in follow-up imaging for chemoembolization.","Toxicity":"Intravenous LD50 in dog is 1580mg/kg. Symptoms of overdose include dyspnea and change in clotting factors.","MechanismOfAction":"Ethiodized oil is selectively retained in tumor vessels for long periods, and is used for imaging organs such as liver, lung, stomach, and thyroid. Labeled with I-131 or other beta emitters (Y-90 or P-32), ethiodized oil can deliver a high internal radiation dose to certain tumors with minimal effect on healthy tissues.","Pharmacodynamics":"There has been little detailed investigation of the metabolic fate of ethiodized oil in either man or animals. However, the fate of ethiodized oil following Iymphangiography in dogs has been reported. Koehler \u003ci\u003eet al\u003c/i\u003e. employed I\u003csup\u003e131\u003c/sup\u003e-tagged ethiodol for lymphangiography in dogs and analyses of individual organs at various time intervals were done. The investigators reported an average of only 25% of the injected medium was retained in the lymphatics at the end of three days. An average of 50% was recovered from the lungs. They found the remainder of injected activity was fairly uniformly distributed throughout the body. Urinary excretion in the form of inorganic iodine was revealed as the chief mode of iodine loss from the system.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00966","Name":"Telmisartan","DrugType":"small molecule","HalfLife":"Bi-exponential decay kinetics with a terminal elimination half-life of approximately 24 hours.","Description":"Telmisartan is an angiotensin II receptor antagonist (ARB) used in the management of hypertension. Generally, angiotensin II receptor blockers (ARBs) such as telmisartan bind to the angiotensin II type 1 (AT1) receptors with high affinity, causing inhibition of the action of angiotensin II on vascular smooth muscle, ultimately leading to a reduction in arterial blood pressure. Recent studies suggest that telmisartan may also have PPAR-gamma agonistic properties that could potentially confer beneficial metabolic effects.","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"Used alone or in combination with other classes of antihypertensives for the treatment of hypertension. Also used in the treatment of diabetic nephropathy in hypertensive patients with type 2 diabetes mellitus, as well as the treatment of congestive heart failure (only in patients who cannot tolerate ACE inhibitors).","Toxicity":"Intravenous LD\u003csub\u003e50\u003c/sub\u003e in rats is 150-200 mg/kg in males and 200 to 250 mg/kg in females. Acute oral toxicity is low: no deaths and no changes occurred in rats or dogs at 2000 mg/kg, the highest dose tested. Limited data are available with regard to overdosage in humans. The most likely manifestations of overdosage with telmisartan would be hypotension, dizziness and tachycardia; bradycardia could occur from parasympathetic (vagal) stimulation.","MechanismOfAction":"Telmisartan interferes with the binding of angiotensin II to the angiotensin II AT\u003csub\u003e1\u003c/sub\u003e-receptor by binding reversibly and selectively to the receptors in vascular smooth muscle and the adrenal gland. As angiotensin II is a vasoconstrictor, which also stimulates the synthesis and release of aldosterone, blockage of its effects results in decreases in systemic vascular resistance. Telmisartan does not inhibit the angiotensin converting enzyme, other hormone receptors, or ion channels. Studies also suggest that telmisartan is a partial agonist of PPAR\u0026gamma;, which is an established target for antidiabetic drugs. This suggests that telmisartan can improve carbohydrate and lipid metabolism, as well as control insulin resistance without causing the side effects that are associated with full PPAR\u0026gamma; activators.","Pharmacodynamics":"Telmisartan is an orally active nonpeptide angiotensin II antagonist that acts on the AT\u003csub\u003e1\u003c/sub\u003e receptor subtype. It has the highest affinity for the AT\u003csub\u003e1\u003c/sub\u003e receptor among commercially available ARBS and has minimal affinity for the AT\u003csub\u003e2\u003c/sub\u003e receptor. New studies suggest that telmisartan may also have PPAR\u0026gamma; agonistic properties that could potentially confer beneficial metabolic effects, as PPAR\u0026gamma; is a nuclear receptor that regulates specific gene transcription, and whose target genes are involved in the regulation of glucose and lipid metabolism, as well as anti-inflammatory responses. This observation is currently being explored in clinical trials. Angiotensin II is formed from angiotensin I in a reaction catalyzed by angiotensin-converting enzyme (ACE, kininase II). Angiotensin II is the principal pressor agent of the renin-angiotensin system, with effects that include vasoconstriction, stimulation of synthesis and release of aldosterone, cardiac stimulation, and renal reabsorption of sodium. Telmisartan works by blocking the vasoconstrictor and aldosterone secretory effects of angiotensin II.","Absorption":"Absolute bioavailability depends on dosage. Food slightly decreases the bioavailability (a decrease of about 6% is seen when the 40-mg dose is administered with food).","Interactions":[{"ID":"DB00945"},{"ID":"DB01143"},{"ID":"DB00594"},{"ID":"DB00482"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB00390"},{"ID":"DB01395"},{"ID":"DB00573"},{"ID":"DB00712"},{"ID":"DB00328"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB01356"},{"ID":"DB01283"},{"ID":"DB00939"},{"ID":"DB00814"},{"ID":"DB00461"},{"ID":"DB00788"},{"ID":"DB00991"},{"ID":"DB00554"},{"ID":"DB01345"},{"ID":"DB00761"},{"ID":"DB00073"},{"ID":"DB00421"},{"ID":"DB00605"},{"ID":"DB01600"},{"ID":"DB00684"},{"ID":"DB00500"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00164","Drugs":["DB00966","DB01593"]}]},{"ID":"DB00967","Name":"Desloratadine","DrugType":"small molecule","HalfLife":"50 hours","Description":"Desloratadine is a second generation, tricyclic antihistamine that which has a selective and peripheral H1-antagonist action. It is the active descarboethoxy metabolite of loratidine (a second generation histamine). Desloratidine has a long-lasting effect and does not cause drowsiness because it does not readily enter the central nervous system.","Classification":{"Description":"This compound belongs to the benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.","DirectParent":"Benzocycloheptapyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzocycloheptapyridines","SubClass":""},"Indication":"For the relief of symptoms of seasonal allergic rhinitis, perennial (non-seasonal) allergic rhinitis. Desloratidine is also used for the sympomatic treatment of pruritus and urticaria (hives) associated with chronic idiopathic urticaria.","Toxicity":"","MechanismOfAction":"Like other H1-blockers, Desloratadine competes with free histamine for binding at H\u003csub\u003e1\u003c/sub\u003e-receptors in the GI tract, uterus, large blood vessels, and bronchial smooth muscle. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms (eg. nasal congestion, watery eyes) brought on by histamine.","Pharmacodynamics":"Desloratadine is a long-acting second-generation H\u003csub\u003e1\u003c/sub\u003e-receptor antagonist which has a selective and peripheral H1-antagonist action. Histamine is a chemical that causes many of the signs that are part of allergic reactions, such as the swelling of tissues. Histamine is released from histamine-storing cells (mast cells) and attaches to other cells that have receptors for histamine. The attachment of the histamine to the receptors causes the cell to be \"activated,\" releasing other chemicals which produce the effects that we associate with allergies. Desloratadine blocks one type of receptor for histamine (the H1 receptor) and thus prevents activation of cells by histamine. Unlike most other antihistamines, Desloratadine does not enter the brain from the blood and, therefore, does not cause drowsiness.","Absorption":"","Interactions":[{"ID":"DB00382"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00968","Name":"Methyldopa","DrugType":"small molecule","HalfLife":"The plasma half-life of methyldopa is 105 minutes.","Description":"An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent. [PubChem]","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For use in the treatment of hypertension.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e of methyldopa is greater than 1.5 g/kg in both the mouse and the rat. Symptoms of overdose include bloating, constipation, diarrhea, dizziness, extreme drowsiness, gas, light-headedness, nausea, severely low blood pressure, slow heartbeat, vomiting, and weakness.","MechanismOfAction":"Although the mechanism of action has yet to be conclusively demonstrated, the resultant hypotensive effect is most likely due to the drug's action on the CNS. Methyldopa is converted into the metabolite, alpha-methylnorepinephrine, in the CNS, where it stimulates the central inhibitory alpha-adrenergic receptors, leading to a reduction in sympathetic tone, total peripheral resistance, and blood pressure. Reduction in plasma renin activity, as well as the inhibition of both central and peripheral norepinephrine and serotonine production may also contribute to the drug's antihypertensive effect, although this is not a major mechanism of action. This is done through the inhibition of the decarboxylation of dihydroxyphenylalanine (dopa)—the precursor of norepinephrine—and of 5-hydroxytryptophan (5-HTP)—the precursor of serotonin—in the CNS and in most peripheral tissues.","Pharmacodynamics":"Methyldopa is an aromatic-amino-acid decarboxylase inhibitor in animals and in man. Only methyldopa, the \u003ci\u003eL\u003c/i\u003e-isomer of alpha-methyldopa, has the ability to inhibit dopa decarboxylase and to deplete animal tissues of norepinephrine. In man the antihypertensive activity appears to be due solely to the L-isomer. About twice the dose of the racemate (DL-alpha-methyldopa) is required for equal antihypertensive effect. Methyldopa has no direct effect on cardiac function and usually does not reduce glomerular filtration rate, renal blood flow, or filtration fraction. Cardiac output usually is maintained without cardiac acceleration. In some patients the heart rate is slowed. Normal or elevated plasma renin activity may decrease in the course of methyldopa therapy. Methyldopa reduces both supine and standing blood pressure. Methyldopa usually produces highly effective lowering of the supine pressure with infrequent symptomatic postural hypotension. Exercise hypotension and diurnal blood pressure variations rarely occur.","Absorption":"Absorption from the gastrointestinal tract is variable but averages approximately 50%.","Interactions":[{"ID":"DB00521"},{"ID":"DB00841"},{"ID":"DB00988"},{"ID":"DB00494"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00502"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01064"},{"ID":"DB01235"},{"ID":"DB01356"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB01203"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB00960"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00571"},{"ID":"DB00852"},{"ID":"DB01001"},{"ID":"DB00489"},{"ID":"DB00871"},{"ID":"DB00373"},{"ID":"DB00752"}],"Salts":[{"ID":"DBSALT000988","Name":"Methyldopa sesquihydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00969","Name":"Alosetron","DrugType":"small molecule","HalfLife":"1.5 hours","Description":"Alosetron is a 5-HT3 antagonist used only for the management of severe diarrhoea-predominant irritable bowel syndrome (IBS) in women. Alosetron has an antagonist action on the 5-HT3 receptors and thus may modulate serotonin-sensitive gastrointestinal (GI) processes. Alosetron was voluntarily withdrawn from the US market in November 2000 by the manufacturer due to numerous reports of severe adverse effects including ischemic colitis, severely obstructed or ruptured bowel, and death. In June 2002, the FDA approved a supplemental new drug application allowing the remarketing of the drug under restricted conditions of use.","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"Only for the treatment of symptoms of severe diarrhea-predominant irritable bowel syndrome (IBS) in women with chronic symptoms (generally lasting greater than 6 months) who does not present with anatomic or biochemical GI abnormalities and have not responded to conventional therapy.","Toxicity":"","MechanismOfAction":"Alosetron is a potent and selective 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonist. 5-HT\u003csub\u003e3\u003c/sub\u003e receptors are nonselective cation channels that are extensively distributed on enteric neurons in the human gastrointestinal tract, as well as other peripheral and central locations. Activation of these channels and the resulting neuronal depolarization affect the regulation of visceral pain, colonic transit and gastrointestinal secretions, processes that relate to the pathophysiology of irritable bowel syndrome (IBS). 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonists such as alosetron inhibit activation of non-selective cation channels which results in the modulation of serotonin-sensitive GI motor and sensory processes.","Pharmacodynamics":"Alosetron is a potent and selective antagonist of the serotonin 5-HT\u003csub\u003e3\u003c/sub\u003e receptor type. Activation of these receptors and the resulting neuronal depolarization affects the regulation of visceral pain, colonic transit, and GI secretions processes that are related to IBS. By blocking these receptors, alosetron is able to effectively control IBS.","Absorption":"50-60 %","Interactions":[{"ID":"DB00730"}],"Salts":[{"ID":"DBSALT000247","Name":"Alosetron Hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB00970","Name":"Dactinomycin","DrugType":"small molecule","HalfLife":"36 hours","Description":"A compound composed of a two cyclic peptides attached to a phenoxazine that is derived from streptomyces parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)","Classification":{"Description":"This compound belongs to the cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.","DirectParent":"Cyclic Depsipeptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Wilms' tumor, childhood rhabdomyosarcoma, Ewing's sarcoma and metastatic, nonseminomatous testicular cancer as part of a combination chemotherapy and/or multi-modality treatment regimen","Toxicity":"hepatoxicity","MechanismOfAction":"Good evidence exists that this drug bind strongly, but reversibly, to DNA, interfering with synthesis of RNA (prevention of RNA polymerase elongation) and, consequently, with protein synthesis.","Pharmacodynamics":"Generally, the actinomycins exert an inhibitory effect on gram-positive and gram-negative bacteria and on some fungi. However, the toxic properties of the actinomycins (including dactinomycin) in relation to antibacterial activity are such as to preclude their use as antibiotics in the treatment of infectious diseases. Because the actinomycins are cytotoxic, they have an antineoplastic effect which has been demonstrated in experimental animals with various types of tumor implant. This cytotoxic action is the basis for their use in the treatment of certain types of cancer. Dactinomycin is believed to produce its cytotoxic effects by binding DNA and inhibiting RNA synthesis.","Absorption":"poorly absorbed from gastrointestinal tract","Interactions":[{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00971","Name":"Selenium Sulfide","DrugType":"small molecule","HalfLife":"","Description":"Selenium Sulfide is an antifungal agent as well as a cytostatic agent, slowing the growth of hyperproliferative cells in seborrhea. Selenium Sulfide is the active ingredient often used in shampoos for the treatment of dandruff, seborrheic dermatitis and tinea capitis, a fungal infection that is primarily a disease of preadolescent children.","Classification":{"Description":"This compound belongs to the other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals.","DirectParent":"Other Non-metal Sulfides","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Other Non-metal Organides","SubClass":"Other Non-metal Sulfides"},"Indication":"For treatment of tinea versicolor, tinea capitis, dandruff and seborrheic dermatitis of the scalp.","Toxicity":"No documented reports of serious toxicity in humans resulting from acute ingestion of selenium sulfide, however, acute toxicity studies in animals suggest that ingestion of large amounts could result in potential human toxicity.","MechanismOfAction":"Topical selenium sulfide may act by an antimitotic action, resulting in a reduction in the turnover of epidermal cells. It also has local irritant, antibacterial, and mild antifungal activity, which may contribute to its effectiveness. An antimitotic mechanism of action is suggested by data showing that selenium sulfide decreases the rate of incorporation of radioactively labeled thymidine into the DNA of dermal epithelial cells. The following organisms are generally considered susceptible to selenium sulfide in vitro: \u003ci\u003eMalassezia furfur\u003c/i\u003e, \u003ci\u003eMicrosporum sp.\u003c/i\u003e including \u003ci\u003eMicrosporum audouinii\u003c/i\u003e and \u003ci\u003eMicrosporum canis\u003c/i\u003e, \u003ci\u003ePityrosporon sp.\u003c/i\u003e, \u003ci\u003eTrichophyton sp.\u003c/i\u003e including \u003ci\u003eTrichophyton schoenleinii\u003c/i\u003e and \u003ci\u003eTrichophyton tonsurans\u003c/i\u003e. Selenium sulfide has been shown to be sporicidal to \u003ci\u003eT. tonsurans\u003c/i\u003e, the most common etiologic agent of tinea capitis. One in-vitro study demonstrated that 2.5% selenium sulfide was equivalent in sporicidal activity to both 1% and 2% zinc pyrithione.","Pharmacodynamics":"Selenium sulfide is an antifungal agent often used in shampoos for the treatment of dandruff and seborrheic dermatitis. Selenium sulfide is highly active in inhibiting the growth of \u003ci\u003eP. ovale\u003c/i\u003e. It is also a proven cytostatic agent, slowing the growth of both hyperproliferative and normal cells in dandruff and seborrheic dermatitis. A 0.6% micronized form of selenium sulfide is also safe and effective for dandruff.","Absorption":"There is no substantial absorption through intact skin. Absorption has been reported in patients with open lesions on the scalp or in patients using a 1% cream on the back - a patient with scalp lesions that used selenium shampoos had a level of selenium sulfide as high as 32 \u0026mu;g/ml in her urine.","Interactions":[{"ID":"DB06210"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00972","Name":"Azelastine","DrugType":"small molecule","HalfLife":"Elimination half-life (based on intravenous and oral administration) is 22 hours. Elimination half-life of the active metabolite, desmethylazelastine, is 54 hours (after oral administration of azelastine).","Description":"Azelastine, a phthalazine derivative, is an antihistamine and mast cell stabilizer available as a nasal spray for hay fever and as eye drops for allergic conjunctivitis. Azelastine is also available as a combination product of azelastine hydrochloride and fluticasone propionate called Dymista™. Dymista™ is indicated in patient over 12 years old for symptomatic relief of seasonal allergic rhinitis.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the symptomatic treatment of seasonal allergic rhinitis and non-allergic rhinitis, as well as symptomatic relief of ocular itching associated with allergic conjunctivitis.","Toxicity":"","MechanismOfAction":"Azelastine competes with histamine for the H1-receptor sites on effector cells and acts as an antagonist by inhibiting the release of histamine and other mediators involved in the allergic response. ","Pharmacodynamics":"Azelastine is a relatively selective histamine H1 antagonist, which inhibits the release of histamine and other mediators from cells (e.g. mast cells) involved in the allergic response. It has some affinity to H2 receptors. Based on in vitro studies using human cell lines, inhibition of other mediators involved in allergic reactions (e.g. leukotrienes and PAF) has been demonstrated with azelastine. Azelastine may also inhibit the accumulation and degranulation of eosinophils at the site of allergic inflammation.","Absorption":"Absorption of azelastine following ocular administration was relatively low. Systemic bioavailability is approximately 40% after nasal administration.","Interactions":[{"ID":"DB01551"},{"ID":"DB08872"},{"ID":"DB08883"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000013","Name":"Azelastine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00973","Name":"Ezetimibe","DrugType":"small molecule","HalfLife":"22 hours (both ezetimibe and ezetimibe-glucuronide). ","Description":"Ezetimibe is an anti-hyperlipidemic medication which is used to lower cholesterol levels. Specifically, it appears to bind to a critical mediator of cholesterol absorption, the Niemann-Pick C1-Like 1 (NPC1L1) protein on the gastrointestinal tract epithelial cells as well as in hepatocytes.","Classification":{"Description":"This compound belongs to the monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.","DirectParent":"Monobactams","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For use as adjunctive therapy to diet for the reduction of elevated total-C, LDL-C, and Apo B in patients with primary (heterozygous familial and non-familial) hypercholesterolemia.","Toxicity":"The most common adverse reactions in the group of patients treated with ezetimibe that led to treatment discontinuation and occurred at a rate greater than placebo were, arthralgia (0.3%), dizziness (0.2%), and gamma-glutamyltransferase increase (0.2%). \r\n","MechanismOfAction":"Ezetimibe localizes and appears to act at the brush border of the small intestine and inhibits the absorption of cholesterol. This leads to a decrease in the delivery of intestinal cholesterol to the liver.","Pharmacodynamics":"Ezetimibe is in a class of lipid-lowering compounds that selectively inhibits the intestinal absorption of cholesterol and related phytosterols. Ezetimibe, administered alone is indicated as adjunctive therapy to diet for the reduction of elevated total-C, LDL-C, and Apo B in patients with primary (heterozygous familial and non-familial) hypercholesterolemia. It is also used in combination therapy with HMG-CoA reductase inhibitors. Ezetimibe has a mechanism of action that differs from those of other classes of cholesterol-reducing compounds (HMG-CoA reductase inhibitors, bile acid sequestrants, fibric acid derivatives, and plant stanols). Ezetimibe does not inhibit cholesterol synthesis in the liver, or increase bile acid excretion but instead localizes and appears to act at the brush border of the small intestine and inhibits the absorption of cholesterol, leading to a decrease in the delivery of intestinal cholesterol to the liver. This causes a reduction of hepatic cholesterol stores and an increase in clearance of cholesterol from the blood; this distinct mechanism is complementary to that of HMG-CoA reductase inhibitors.","Absorption":"After oral administration, ezetimibe is absorbed and extensively conjugated to a pharmacologically active phenolic glucuronide (ezetimibe-glucuronide).\r\nWhen a single 10 mg dose of ezetimibe is given to a fasted, male, adult subject, the pharmacokinetic parameters are as follows:\r\nCmax = 3.5 - 5.5 ng/mL;\r\nTmax = 4- 12 hours.\r\nThe pharmacokinetic parameters for ezetimibe-glucuronide are as follows:\r\nCmax = 45 - 71 ng/mL;\r\nTmax = 1-2 hours. \r\nFood has not impact on the extent of absorption of ezetimibe. However, Cmax increases by 38% with a high-fat meal. ","Interactions":[{"ID":"DB01432"},{"ID":"DB00091"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00974","Name":"Edetic Acid","DrugType":"small molecule","HalfLife":"The half life of edetate calcium disodium is 20 to 60 minutes.","Description":"A chelating agent (chelating agents) that sequesters a variety of polyvalent cations. It is used in pharmaceutical manufacturing and as a food additive. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the reduction of blood levels and depot stores of lead in lead poisoning (acute and chronic) and lead encephalopathy, in both pediatric populations and adults.","Toxicity":"Inadvertent administration of 5 times the recommended dose, infused intravenously over a 24 hour period, to an asymptomatic 16 month old patient with a blood lead content of 56 mcg/dl did not cause any ill effects. Edetate calcium disodium can aggravate the symptoms of severe lead poisoning, therefore, most toxic effects (cerebral edema, renal tubular necrosis) appear to be associated with lead poisoning. Because of cerebral edema, a therapeutic dose may be lethal to an adult or a pediatric patient with lead encephalopathy. Higher dosage of edetate calcium disodium may produce a more severe zinc deficiency.","MechanismOfAction":"The pharmacologic effects of edetate calcium disodium are due to the formation of chelates with divalent and trivalent metals. A stable chelate will form with any metal that has the ability to displace calcium from the molecule, a feature shared by lead, zinc, cadmium, manganese, iron and mercury. The amounts of manganese and iron metabolized are not significant. Copper is not mobilized and mercury is unavailable for chelation because it is too tightly bound to body ligands or it is stored in inaccessible body compartments. The excretion of calcium by the body is not increased following intravenous administration of edetate calcium disodium, but the excretion of zinc is considerably increased.","Pharmacodynamics":"Edetate calcium is a heavy metal chelating agent. The calcium in edetate calcium can be displaced by divalent or trivalent metals to form a stable water soluble complex that can be excreted in the urine. In theory, 1 g of edetate calcium can theoretically bind 620 mg of lead, but in reality only about 5 mg per gram is actually excreted into the urine in lead poisoned patients. In addition to chelating lead, edetate calcium also chelates and eliminates zinc from the body. Edetate calcium also binds cadmium, copper, iron and manganese, but to a much lesser extent than either lead or zinc. Edetate calcium is relatively ineffective for use in treating mercury, gold or arsenic poisoning.","Absorption":"Poorly absorbed from the gastrointestinal tract. Well absorbed following intramuscular injection.","Interactions":[{"ID":"DB01306"}],"Salts":[{"ID":"DBSALT000837","Name":"Edetate calcium disodium"},{"ID":"DBSALT000838","Name":"Edetate disodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00975","Name":"Dipyridamole","DrugType":"small molecule","HalfLife":"40 minutes","Description":"A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752)","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For as an adjunct to coumarin anticoagulants in the prevention of postoperative thromboembolic complications of cardiac valve replacement and also used in prevention of angina.","Toxicity":"Hypotension, if it occurs, is likely to be of short duration, but a vasopressor drug may be used if necessary. The oral LD\u003csub\u003e50\u003c/sub\u003e in rats is greater than 6,000 mg/kg while in the dogs, the oral LD\u003csub\u003e50\u003c/sub\u003e is approximately 400 mg/kg. LD\u003csub\u003e50\u003c/sub\u003e=8.4g/kg (orally in rat)","MechanismOfAction":"Dipyridamole likely inhibits both adenosine deaminase and phosphodiesterase, preventing the degradation of cAMP, an inhibitor of platelet function. This elevation in cAMP blocks the release of arachidonic acid from membrane phospholipids and reduces thromboxane A2 activity. Dipyridamole also directly stimulates the release of prostacyclin, which induces adenylate cyclase activity, thereby raising the intraplatelet concentration of cAMP and further inhibiting platelet aggregation.","Pharmacodynamics":"Dipyridamole, a non-nitrate coronary vasodilator that also inhibits platelet aggregation, is combined with other anticoagulant drugs, such as warfarin, to prevent thrombosis in patients with valvular or vascular disorders. Dipyridamole is also used in myocardial perfusion imaging, as an antiplatelet agent, and in combination with aspirin for stroke prophylaxis.","Absorption":"70%","Interactions":[{"ID":"DB00640"},{"ID":"DB01073"},{"ID":"DB01381"},{"ID":"DB06213"},{"ID":"DB01030"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00264","Drugs":["DB00975","DB01593"]}]},{"ID":"DB00976","Name":"Telithromycin","DrugType":"small molecule","HalfLife":"Main elimination half-life is 2-3 hours; terminal elimination half-life is 10 hours","Description":"Telithromycin, a semi-synthetic erythromycin derivative, belongs to a new chemical class of antibiotics called ketolides. Ketolides have been recently added to the macrolide-lincosamide-streptogramin class of antibiotics. Similar to the macrolide antibiotics, telithromycin prevents bacterial growth by interfering with bacterial protein synthesis. Telithromycin binds to the 50S subunit of the 70S bacterial ribosome and blocks further peptide elongation. Binding occurs simultaneously at to two domains of 23S RNA of the 50S ribosomal subunit, domain II and V, where older macrolides bind only to one. It is used to treat mild to moderate respiratory infections.","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For the treatment of \u003ci\u003ePneumococcal\u003c/i\u003e infection, acute sinusitis, acute bacterial tonsillitis, acute bronchitis and bronchiolitis, lower respiratory tract infection and lobar (pneumococcal) pneumonia.","Toxicity":"LD50\u003e2000 mg/kg (PO in rats). Adverse effects are similar to those of clarithormycin and erithromycin and include diarrhea, nausea, vomiting, loose stools, abdominal pain, flatulence and dyspepsia. It may also cause dizziness, headache and taste disturbances. ","MechanismOfAction":"Telithromycin acts by binding to domains II and V of 23S rRNA of the 50S ribosomal subunit. By binding at domain II, telithromycin retains activity against gram-positive cocci (e.g. Streptococcus pneumoniae) in the presence of resistance mediated by methylases (erm genes) that alter the binding site at domain V. Telithromycin may also inhibit the assembly of nascent ribosomal units. Compared to erythromycin A, telithromycin binds to the 23S rRNA with 10 times greater affinity in erythromycin-susceptible organisms and 25 times greater affinity in macrolide-resistant strains. This increased binding affinity may be conferred by the C11-12 carbamate side chain of telithromycin. The side chain appears to maintain binding at domain II in the presence of resistance mediated by alterations in domain V. ","Pharmacodynamics":"Telithromycin is a ketolide antibiotic which has an antimicrobial spectrum similar or slightly broader than that of penicillin. It is often used as an alternative in patients who have an allergy to penicillins. For respiratory tract infections, it has better coverage of atypical organisms, including mycoplasma. Telithromycin prevents bacterial growth by binding to bacterial 50S ribosomal subunits and interfering with bacterial peptide translocation and elongation.","Absorption":"Absolute bioavailability is approximately 57%. Maximal concentrations are reached 0.5 - 4 hours following oral administration. Food intake does not affected absorption. ","Interactions":[{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB00802"},{"ID":"DB00346"},{"ID":"DB00404"},{"ID":"DB06403"},{"ID":"DB00357"},{"ID":"DB01118"},{"ID":"DB00381"},{"ID":"DB00701"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB01238"},{"ID":"DB06413"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB00865"},{"ID":"DB00612"},{"ID":"DB00188"},{"ID":"DB00559"},{"ID":"DB01158"},{"ID":"DB01558"},{"ID":"DB01200"},{"ID":"DB01222"},{"ID":"DB00921"},{"ID":"DB00490"},{"ID":"DB01008"},{"ID":"DB06772"},{"ID":"DB00136"},{"ID":"DB00564"},{"ID":"DB00475"},{"ID":"DB00608"},{"ID":"DB01114"},{"ID":"DB01410"},{"ID":"DB01166"},{"ID":"DB01012"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB00349"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00907"},{"ID":"DB01394"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB00250"},{"ID":"DB00496"},{"ID":"DB01264"},{"ID":"DB01254"},{"ID":"DB00705"},{"ID":"DB01234"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB01248"},{"ID":"DB00204"},{"ID":"DB01142"},{"ID":"DB00997"},{"ID":"DB05331"},{"ID":"DB04855"},{"ID":"DB00625"},{"ID":"DB00216"},{"ID":"DB00700"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB00402"},{"ID":"DB00593"},{"ID":"DB00773"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB00813"},{"ID":"DB00180"},{"ID":"DB00690"},{"ID":"DB00499"},{"ID":"DB00588"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00317"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB01181"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00762"},{"ID":"DB00951"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB00270"},{"ID":"DB01167"},{"ID":"DB08820"},{"ID":"DB04845"},{"ID":"DB01221"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB00281"},{"ID":"DB01601"},{"ID":"DB00227"},{"ID":"DB06708"},{"ID":"DB04835"},{"ID":"DB00358"},{"ID":"DB00333"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB00264"},{"ID":"DB01110"},{"ID":"DB00683"},{"ID":"DB00370"},{"ID":"DB00745"},{"ID":"DB00680"},{"ID":"DB00607"},{"ID":"DB00731"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB00622"},{"ID":"DB01115"},{"ID":"DB04868"},{"ID":"DB00393"},{"ID":"DB00401"},{"ID":"DB01054"},{"ID":"DB00776"},{"ID":"DB01229"},{"ID":"DB00312"},{"ID":"DB01186"},{"ID":"DB03575"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB01621"},{"ID":"DB08901"},{"ID":"DB01263"},{"ID":"DB01058"},{"ID":"DB00794"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB08896"},{"ID":"DB00912"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB06228"},{"ID":"DB00938"},{"ID":"DB01232"},{"ID":"DB01105"},{"ID":"DB00203"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB01591"},{"ID":"DB00489"},{"ID":"DB06145"},{"ID":"DB00708"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00906"},{"ID":"DB01036"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00313"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00252","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00976","DB01972","DB02431","DB03685"]}]},{"ID":"DB00977","Name":"Ethinyl Estradiol","DrugType":"small molecule","HalfLife":"36 +/- 13 hours","Description":"A semisynthetic alkylated estradiol with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally and is often used as the estrogenic component in oral contraceptives [PubChem]. Ethinyl estradiol is marketed mostly as a combination oral contraceptive under several brand names such as Alesse, Tri-Cyclen, Triphasil, and Yasmin. The FDA label includes a black box warning that states that combination oral contraceptives should not be used in women over 35 years old who smoke due to the increased risk of serious cardiovascular side effects. ","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"For treatment of moderate to severe vasomotor symptoms associated with the menopause, female hypogonadism, prostatic carcinoma-palliative therapy of advanced disease, breast cancer, as an oral contraceptive, and as emergency contraceptive.","Toxicity":"Oral, mouse LD\u003csub\u003e50\u003c/sub\u003e: 1737 mg/kg. Symptoms of overdose include nausea and vomiting, and withdrawal bleeding may occur in females. The FDA label includes a black box warning that states that combination oral contraceptives with ethinyl estradiol should not be used in women over 35 years old who smoke due to the increased risk of serious cardiovascular side effects. ","MechanismOfAction":"Estrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. This cascade is initiated by initially binding to the estrogen receptors. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH).","Pharmacodynamics":"Ethinyl estradiol is a synthetic derivative of the natural estrogen estradiol. It is one of two estrogens currently used in oral contraceptive pills. The other, mestranol, is converted to ethinyl estradiol before it is biologically active. Ethinyl estradiol and norethindrone are used together as an oral contraceptive agent.","Absorption":"Rapid and complete absorption follows oral intake of ethinyl estradiol (bioavailability 43%).","Interactions":[{"ID":"DB01418"},{"ID":"DB01223"},{"ID":"DB01351"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB00701"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB01352"},{"ID":"DB06697"},{"ID":"DB01061"},{"ID":"DB00355"},{"ID":"DB01602"},{"ID":"DB06769"},{"ID":"DB00559"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00930"},{"ID":"DB01000"},{"ID":"DB00091"},{"ID":"DB00618"},{"ID":"DB00485"},{"ID":"DB00266"},{"ID":"DB00254"},{"ID":"DB00651"},{"ID":"DB06210"},{"ID":"DB00754"},{"ID":"DB01628"},{"ID":"DB00301"},{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01354"},{"ID":"DB00739"},{"ID":"DB01355"},{"ID":"DB01026"},{"ID":"DB00555"},{"ID":"DB00532"},{"ID":"DB00931"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB01603"},{"ID":"DB00948"},{"ID":"DB01017"},{"ID":"DB00745"},{"ID":"DB00607"},{"ID":"DB00220"},{"ID":"DB00713"},{"ID":"DB00776"},{"ID":"DB01303"},{"ID":"DB00595"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB01604"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00481"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB01301"},{"ID":"DB06201"},{"ID":"DB00418"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00306"},{"ID":"DB01606"},{"ID":"DB00759"},{"ID":"DB00277"},{"ID":"DB00599"},{"ID":"DB01607"},{"ID":"DB00932"},{"ID":"DB00697"},{"ID":"DB00273"},{"ID":"DB00755"},{"ID":"DB00197"},{"ID":"DB01586"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00978","Name":"Lomefloxacin","DrugType":"small molecule","HalfLife":"8 hours","Description":"Lomefloxacin is a fluoroquinolone antibiotic, used to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery.","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of bacterial infections of the respiratory tract (chronic bronchitis) and urinary tract, and as a pre-operative prophylactic to prevent urinary tract infection caused by: \u003ci\u003eS.pneumoniae\u003c/i\u003e, \u003ci\u003eH.influenzae\u003c/i\u003e, \u003ci\u003eS.aureus\u003c/i\u003e, \u003ci\u003eP.aeruginosa\u003c/i\u003e, \u003ci\u003eE. cloacae\u003c/i\u003e, \u003ci\u003eP. mirabilis\u003c/i\u003e, \u003ci\u003eC. civersus\u003c/i\u003e, \u003ci\u003eS. asprphyticus\u003c/i\u003e, \u003ci\u003eE.coli\u003c/i\u003e, and \u003ci\u003eK.pneumoniae\u003c/i\u003e.","Toxicity":"Adverse reactions include peripheral neuropathy, nervousness, agitation, anxiety, and phototoxic events (rash, itching, burning) due to sunlight exposure.","MechanismOfAction":"Lomefloxacin is a bactericidal fluoroquinolone agent with activity against a wide range of gram-negative and gram-positive organisms. The bactericidal action of lomefloxacin results from interference with the activity of the bacterial enzymes DNA gyrase and topoisomerase IV, which are needed for the transcription and replication of bacterial DNA. DNA gyrase appears to be the primary quinolone target for gram-negative bacteria. Topoisomerase IV appears to be the preferential target in gram-positive organisms. Interference with these two topoisomerases results in strand breakage of the bacterial chromosome, supercoiling, and resealing. As a result DNA replication and transcription is inhibited.","Pharmacodynamics":"Lomefloxacin is a fluoroquinolone antibiotic used to treat chronic bronchitis, as well as complicated and uncomplicated urinary tract infections. It is also used as a prophylactic or preventative treatment to prevent urinary tract infections in patients undergoing transrectal or transurethral surgical procedures. Flouroquinolones such as lomefloxacin possess excellent activity against gram-negative aerobic bacteria such as \u003ci\u003eE.coli\u003c/i\u003e and \u003ci\u003eNeisseria gonorrhoea\u003c/i\u003e as well as gram-positive bacteria including \u003ci\u003eS. pneumoniae\u003c/i\u003e and \u003ci\u003eStaphylococcus aureus\u003c/i\u003e. They also posses effective activity against shigella, salmonella, campylobacter, gonococcal organisms, and multi drug resistant pseudomonas and enterobacter.","Absorption":"Rapid and nearly complete with approximately 95% to 98% of a single oral dose being absorbed.","Interactions":[{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB00893"},{"ID":"DB01378"}],"Salts":[{"ID":"DBSALT000795","Name":"Lomefloxacin hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00979","Name":"Cyclopentolate","DrugType":"small molecule","HalfLife":"","Description":"A parasympatholytic anticholinergic used solely to obtain mydriasis or cycloplegia. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"Used mainly to produce mydriasis and cycloplegia for diagnostic purposes.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in the rat is 4000 mg/kg and 960 mg/kg in the mouse. Symptoms of overdose include tachycardia, dizziness, dry mouth, behavioral disturbances, uncoordination and drowsiness.","MechanismOfAction":"By blocking muscarinic receptors, cyclopentolate produces dilatation of the pupil (mydriasis) and prevents the eye from accommodating for near vision (cycloplegia).","Pharmacodynamics":"Cyclopentolate is an anti-muscarinic in the same class as atropine and scopolamine. Cyclopentolate blocks the receptors in the muscles of the eye (muscarinic receptors). These receptors are involved controlling the pupil size and the shape of the lens. Cyclopentolate thus induces relaxation of the sphincter of the iris and the ciliary muscles. When applied topically to the eyes, it causes a rapid, intense cycloplegic and mydriatic effect that is maximal in 15 to 60 minutes; recovery usually occurs within 24 hours. The cycloplegic and mydriatic effects are slower in onset and longer in duration in patients who have dark pigmented irises.","Absorption":"Absorbed following ophthalmic administration.","Interactions":[{"ID":"DB00382"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000476","Name":"Cyclopentolate Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00980","Name":"Ramelteon","DrugType":"small molecule","HalfLife":"~1-2.6 hours","Description":"Ramelteon is the first in a new class of sleep agents that selectively binds to the melatonin receptors in the suprachiasmatic nucleus (SCN). It is used for insomnia, particularly delayed sleep onset. Ramelteon has not been shown to produce dependence and has shown no potential for abuse.","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"For the treatment of insomnia characterized by difficulty with sleep onset.","Toxicity":"","MechanismOfAction":"Ramelteon is a melatonin receptor agonist with both high affinity for melatonin MT\u003csub\u003e1\u003c/sub\u003e and MT\u003csub\u003e2\u003c/sub\u003e receptors, and lower selectivity for the MT\u003csub\u003e3\u003c/sub\u003e receptor. Melatonin production is concurrent with nocturnal sleep, meaning that an increase in melatonin levels is related to the onset of self-reported sleepiness and an increase in sleep propensity. MT\u003csub\u003e1\u003c/sub\u003e receptors are believed to be responsible for regulation of sleepiness and facilitation of sleep onset, and MT\u003csub\u003e2\u003c/sub\u003e receptors are believed to mediate phase-shifting effects of melatonin on the circadian rhythm. While MT\u003csub\u003e1\u003c/sub\u003e and MT\u003csub\u003e2\u003c/sub\u003e receptors are associated with the sleep-wake cycle, MT\u003csub\u003e3\u003c/sub\u003e has a completely different profile, and therefore is not likely to be involved in the sleep-wake cycle. Remelteon has no appreciable affinity for the gamma-aminobutyric acid (GABA) receptor complex or receptors that bind neuropeptides, cytokines, serotonin, dopamine, norepinephrine, acetylcholine, or opiates.","Pharmacodynamics":"Ramelteon is the first selective melatonin agonist. It works by mimicking melatonin (MT), a naturally occuring hormone that is produced during the sleep period and thought to be responsible for the regulation of circadian rhythm underlying the normal sleep-wake cycle. Ramelteon has a high affinity for the MT\u003csub\u003e1\u003c/sub\u003e and MT\u003csub\u003e2\u003c/sub\u003e receptors. The MT\u003csub\u003e1\u003c/sub\u003e and MT\u003csub\u003e2\u003c/sub\u003e receptors are located in the brain's suprachiasmatic nuclei (SCN),which is known as the body's \"master clock\" because it regulates the 24-hour sleep-wake cycle. Ramelteon has an active metabolite that is less potent but circulates in higher concentrations than the parent compound. The metabolite also has weak affinity for the 5HT2b receptor.","Absorption":"Rapid, total absorption is at least 84%.","Interactions":[{"ID":"DB01072"},{"ID":"DB00537"},{"ID":"DB00467"},{"ID":"DB00196"},{"ID":"DB00176"},{"ID":"DB01026"},{"ID":"DB00379"},{"ID":"DB01045"},{"ID":"DB00382"},{"ID":"DB00730"},{"ID":"DB00427"},{"ID":"DB00744"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00981","Name":"Physostigmine","DrugType":"small molecule","HalfLife":"","Description":"A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. [PubChem]","Classification":{"Description":"This compound belongs to the pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole.","DirectParent":"Pyrroloindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyrroloindoles"},"Indication":"For the treatment of glaucoma, and in the treatment of severe anticholinergic toxicity.","Toxicity":"Side effects include increased sweating, loss of bladder control, muscle weakness, nausea, vomiting, diarrhea, or stomach cramps or pain, shortness of breath, tightness in chest, or wheezing, slow or irregular heartbeat, unusual tiredness or weakness, watering of mouth, blurred vision or change in near or distant vision, and eye pain.","MechanismOfAction":"Physostigmine inhibits acetylcholinesterase, the enzyme responsible for the breakdown of used acetylcholine. By interfering with the metabolism of acetylcholine, physostigmine indirectly stimulates both nicotinic and muscarinic receptors due to the consequential increase in available acetylcholine at the synapse.","Pharmacodynamics":"Physostigmine is a parasympathomimetic, specifically, a reversible cholinesterase inhibitor which effectively increases the concentration of acetylcholine at the sites of cholinergic transmission. Physostigmine is used to treat glaucoma. Because it crosses the blood-brain barrier, it is also used to treat the central nervous system effects of atropine overdose and other anticholinergic drug overdoses. Physostigmine can reverse both central and peripheral anticholinergia.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000243","Name":"Physostigmine Sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB00982","Name":"Isotretinoin","DrugType":"small molecule","HalfLife":"17-50 hours","Description":"Isotretinoin is a medication used for the treatment of severe acne. It is sometimes used in prevention of certain skin cancers. It is a retinoid, meaning it derives from vitamin A and is found in small quantities naturally in the body. Isotretinoin binds to and activates nuclear retinoic acid receptors (RAR), thereby regulating cell proliferation and differentiation. This agent also exhibits immunomodulatory and anti-inflammatory responses and inhibits ornithine decarboxylase, thereby decreasing polyamine synthesis and keratinization.","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"For the treatment of severe recalcitrant nodular acne","Toxicity":"Isotretinoin is teratogenic. It also causes mucocutaneous side effects suck as cheilitis, dry skin, and dry eyes.","MechanismOfAction":"Isotretinoin noticeably reduces the production of sebum and shrinks the sebaceous glands. It stabilises keratinization and prevents comedones from forming. It also reduces inflammation in moderate-severe inflammatory acne. The exact mechanism of action is unknown, however it is known that it alters DNA transcription.","Pharmacodynamics":"Isotretinoin, a retinoid, is indicated in the treatment of severe recalcitrant nodular acne. Nodules are inflammatory lesions with a diameter of 5 mm or greater. The nodules may become suppurative or hemorrhagic. \"Severe,\" by definition, means \"many\" as opposed to \"few or several\" nodules. Clinical improvement in nodular acne patients occurs in association with a reduction in sebum secretion. The decrease in sebum secretion is temporary and is related to the dose and duration of treatment with Accutane, and reflects a reduction in sebaceous gland size and an inhibition of sebaceous gland differentiation.","Absorption":"","Interactions":[{"ID":"DB00564"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00931"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"},{"ID":"DB00162"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00983","Name":"Formoterol","DrugType":"small molecule","HalfLife":"10 hours","Description":"Formoterol is a long-acting (12 hours) beta2-agonist used in the management of asthma and/or chronic obstructive pulmonary disease (COPD). Inhaled formoterol works like other beta2-agonists, causing bronchodilatation through relaxation of the smooth muscle in the airway so as to treat the exacerbation of asthma.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For use as long-term maintenance treatment of asthma in patients 6 years of age and older with reversible obstructive airways disease, including patients with symptoms of nocturnal asthma, who are using optimal corticosteroid treatment and experiencing regular or frequent breakthrough symptoms requiring use of a short-acting bronchodilator. Not indicated for asthma that can be successfully managed with occasional use of an inhaled, short-acting beta2-adrenergic agonist. Also used for the prevention of exercise-induced bronchospasm, as well as long-term treatment of bronchospasm associated with COPD.","Toxicity":"An overdosage is likely to lead to effects that are typical of \u0026szlig;2-adrenergic stimulants: nausea, vomiting, headache, tremor, somnolence, palpitations, tachycardia, ventricular arrhythmias, metabolic acidosis, hypokalemia, hyperglycemia.","MechanismOfAction":"The pharmacologic effects of beta2-adrenoceptor agonist drugs, including formoterol, are at least in part attributable to stimulation of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic-3', 5'-adenosine monophosphate (cyclic AMP). Increased cyclic AMP levels cause relaxation of bronchial smooth muscle and inhibits the release of pro-inflammatory mast-cell mediators such as histamine and leukotrienes. Formoterol also inhibits histamine-induced plasma albumin extravasation in anesthetized guinea pigs and inhibits allergen-induced eosinophil influx in dogs with airway hyper-responsiveness. The relevance of these in vitro and animal findings to humans is unknown.","Pharmacodynamics":"Formoterol is a long-acting selective beta2-adrenergic receptor agonist (beta2-agonist). Inhaled formoterol fumarate acts locally in the lung as a bronchodilator. In vitro studies have shown that formoterol has more than 200-fold greater agonist activity at beta2-receptors than at beta1- receptors. Although beta2-receptors are the predominant adrenergic receptors in bronchial smooth muscle and beta1-receptors are the predominant receptors in the heart, there are also beta2-receptors in the human heart comprising 10%-50% of the total beta-adrenergic receptors. The precise function of these receptors has not been established, but they raise the possibility that even highly selective beta2- agonists may have cardiac effects.","Absorption":"Rapidly absorbed into plasma following administration by oral inhalation. It is likely that the majority of the inhaled formoterol delivered is swallowed and then absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00187"},{"ID":"DB05039"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00489"},{"ID":"DB00373"}],"Salts":[{"ID":"DBSALT001072","Name":"Formoterol fumarate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00984","Name":"Nandrolone phenpropionate","DrugType":"small molecule","HalfLife":"The elimination half-life from plasma is very short.","Description":"C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. It is a schedule III drug in the U.S.","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"For the treatment of refractory deficient red cell production anemias, breast carcinoma, hereditary angioedema, antithrombin III deficiency, fibrinogen excess, growth failure and Turner's syndrome. It is also indicated in the prophylaxis of hereditary angioedema.","Toxicity":"","MechanismOfAction":"Nandrolone is an androgen receptor agonist. The drug bound to the receptor complexes which allows it to enter the nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects.","Pharmacodynamics":"Nandrolone is an anabolic steroid occurring naturally in the human body, albeit in small quantities. Nandrolone increases production and urinary excretion of erythropoietin. It may also have a direct action on bone marrow. Nandrolone binds to the androgen receptor to a greater degree than testosterone, but due to its inability to act on the muscle in ways unmediated by the receptor, has less overall effect on muscle growth.","Absorption":"The absorption after oral dosing is rapid for testosterone and probably for other anabolic steroids, but there is extensive first-pass hepatic metabolism for all anabolic steroids except those that are substituted at the 17-alpha position. The rate of absorption from subcutaneous or intramuscular depots depends on the product and its formulation. Absorption is slow for the lipid-soluble esters such as the cypionate or enanthate, and for oily suspensions.","Interactions":[{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB00985","Name":"Dimenhydrinate","DrugType":"small molecule","HalfLife":"1 to 4 hours","Description":"Dimenhydrinate (Dramamine, Gravol and Vertirosan) is an over-the-counter drug used to prevent motion sickness. It is closely related to diphenhydramine HCl, or Benadryl. It is primarily a H1-antagonist, but also possesses an antimuscarinic effect.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used for treating vertigo, motion sickness, and nausea associated with pregnancy.","Toxicity":"Symptoms of overdose include delerium, hallucinations, and excitment. Patients may be violent and confused. ","MechanismOfAction":"The mechanism by which some antihistamines exert their antiemetic, anti\u0026ndash;motion sickness, and antivertigo effects is not precisely known but may be related to their central anticholinergic actions. They diminish vestibular stimulation and depress labyrinthine function. An action on the medullary chemoreceptive trigger zone may also be involved in the antiemetic effect. Dimenhydrinate is a competitive antagonist at the histamine H1 receptor, which is widely distributed in the human brain. Dimenhydrinate's anti-emetic effect is probably due to H1 antagonism in the vestibular system in the brain. ","Pharmacodynamics":"Dimenhydrinate is an antiemetics drug combination that contains diphenhydramine and theophylline. It is not effective in the treatment of nausea associated with cancer chemotherapy. Dimenhydrinate directly inhibits the stimulation of certain nerves in the brain and inner ear to suppress nausea, vomiting, dizziness, and vertigo. Diphenhydramine and dimenhydinate both reduce vestibular neuronal excitation due to angular or linear acceleration motions. ","Absorption":"Well absorbed after oral administration.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00986","Name":"Glycopyrrolate","DrugType":"small molecule","HalfLife":"0.6-1.2 hours","Description":"Glycopyrrolate is a synthetic anticholinergic agent with a quaternary ammonium structure. A muscarinic competitive antagonist used as an antispasmodic, in some disorders of the gastrointestinal tract, and to reduce salivation with some anesthetics. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For use as a preoperative antimuscarinic to reduce salivary, tracheobronchial, and pharyngeal secretions, to reduce the volume and free acidity of gastric secretions and to block cardiac vagal inhibitory reflexes during induction of anesthesia and intubation.","Toxicity":"Side effects include dry mouth, difficult urinating, heachaches, diarrhea and constipation. The medication also induces drowsiness or blurred vision. LD\u003csub\u003e50\u003c/sub\u003e=709 mg/kg (rat, oral).","MechanismOfAction":"Glycopyrrolate binds competitively to the muscarinic acetylcholine receptor. Like other anticholinergic (antimuscarinic) agents, it inhibits the action of acetylcholine on structures innervated by postganglionic cholinergic nerves and on smooth muscles that respond to acetylcholine but lack cholinergic innervation. These peripheral cholinergic receptors are present in the autonomic effector cells of smooth muscle, cardiac muscle, the sinoatrial node, the atrioventricular node, exocrine glands and, to a limited degree, in the autonomic ganglia. Thus, it diminishes the volume and free acidity of gastric secretions and controls excessive pharyngeal, tracheal, and bronchial secretions.","Pharmacodynamics":"Glycopyrrolate decreases acid secretion in the stomach. Hence it can be used for treating ulcers in the stomach and small intestine, in combination with other medications. In anesthesia, glycopyrrolate injection serves as a preoperative antimuscarinic operation that reduces salivary, tracheobronchial, and pharyngeal secretions, as well as decreases the acidity of gastric secretions blocks cardiac vagal inhibitory reflexes during intubation","Absorption":"Rapidly absorbed (1-2 minutes) after intravenous injection","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00987","Name":"Cytarabine","DrugType":"small molecule","HalfLife":"10 minutes","Description":"A pyrimidine nucleoside analog that is used mainly in the treatment of leukemia, especially acute non-lymphoblastic leukemia. Cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA. Its actions are specific for the S phase of the cell cycle. It also has antiviral and immunosuppressant properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p472)","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of acute non-lymphocytic leukemia, acute lymphocytic leukemia and blast phase of chronic myelocytic leukemia.","Toxicity":"Cytarabine syndrome may develop - it is characterized by fever, myalgia, bone pain, occasionally chest pain, maculopapular rash, conjunctivitis, and malaise.","MechanismOfAction":"Cytarabine acts through direct DNA damage and incorporation into DNA. Cytarabine is cytotoxic to a wide variety of proliferating mammalian cells in culture. It exhibits cell phase specificity, primarily killing cells undergoing DNA synthesis (S-phase) and under certain conditions blocking the progression of cells from the G1 phase to the S-phase. Although the mechanism of action is not completely understood, it appears that cytarabine acts through the inhibition of DNA polymerase. A limited, but significant, incorporation of cytarabine into both DNA and RNA has also been reported.","Pharmacodynamics":"Cytarabine is an antineoplastic anti-metabolite used in the treatment of several forms of leukemia including acute myelogenous leukemia and meningeal leukemia. Anti-metabolites masquerade as purine or pyrimidine - which become the building blocks of DNA. They prevent these substances becoming incorporated in to DNA during the \"S\" phase (of the cell cycle), stopping normal development and division. Cytarabine is metabolized intracellularly into its active triphosphate form (cytosine arabinoside triphosphate). This metabolite then damages DNA by multiple mechanisms, including the inhibition of alpha-DNA polymerase, inhibition of DNA repair through an effect on beta-DNA polymerase, and incorporation into DNA. The latter mechanism is probably the most important. Cytotoxicity is highly specific for the S phase of the cell cycle.","Absorption":"Less than 20% of the orally administered dose is absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00390"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00988","Name":"Dopamine","DrugType":"small molecule","HalfLife":"2 minutes","Description":"One of the catecholamine neurotransmitters in the brain. It is derived from tyrosine and is the precursor to norepinephrine and epinephrine. Dopamine is a major transmitter in the extrapyramidal system of the brain, and important in regulating movement. A family of receptors (receptors, dopamine) mediate its action. [PubChem]","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the correction of hemodynamic imbalances present in the shock syndrome due to myocardial infarction, trauma, endotoxic septicemia, open-heart surgery, renal failure, and chronic cardiac decompensation as in congestive failure","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e oral mice = 1460 mg/kg, LD\u003csub\u003e50\u003c/sub\u003e oral rats = 1780 mg/kg. Spasm or closing of eyelids, nausea, vomiting, cardiac arrhythmias, involuntary movements of the body including the face, tongue, arms, hand, head, and upper body; hypotension, haemolytic anaemia, urinary retention, duodenal ulcer, sialorrhea, ataxia, abdominal pain, dry mouth, nightmares, tachypnoea, bruxism, confusion, and insomnia.","MechanismOfAction":"Dopamine is a precursor to norepinephrine in noradrenergic nerves and is also a neurotransmitter in certain areas of the central nervous system. Dopamine produces positive chronotropic and inotropic effects on the myocardium, resulting in increased heart rate and cardiac contractility. This is accomplished directly by exerting an agonist action on beta-adrenoceptors and indirectly by causing release of norepinephrine from storage sites in sympathetic nerve endings. In the brain, dopamine actas as an agonist to the five dopamine receptor subtypes (D!, D2, D3, D4, D5).","Pharmacodynamics":"Dopamine is a natural catecholamine formed by the decarboxylation of 3,4-dihydroxyphenylalanine (DOPA). It is a precursor to norepinephrine in noradrenergic nerves and is also a neurotransmitter in certain areas of the central nervous system, especially in the nigrostriatal tract, and in a few peripheral sympathetic nerves. Dopamine produces positive chronotropic and inotropic effects on the myocardium, resulting in increased heart rate and cardiac contractility. This is accomplished directly by exerting an agonist action on beta-adrenoceptors and indirectly by causing release of norepinephrine from storage sites in sympathetic nerve endings.","Absorption":"Dopamine is rapidly absorbed from the small intestine.","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00494"},{"ID":"DB01320"},{"ID":"DB01170"},{"ID":"DB00070"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB08815"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB00252"},{"ID":"DB01367"},{"ID":"DB00206"}],"Salts":[{"ID":"DBSALT000508","Name":"Dopamine Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00308","Drugs":["DB00988","DB02527"]},{"ID":"SMP00680","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00424","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00689","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00392","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00414","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00425","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00690","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00679","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00394","Drugs":["DB00368","DB00988","DB01161","DB01345","DB01373"]},{"ID":"SMP00399","Drugs":["DB00368","DB00961","DB00988","DB01345","DB01373"]},{"ID":"SMP00411","Drugs":["DB00368","DB00956","DB00988","DB01345","DB01373"]},{"ID":"SMP00422","Drugs":["DB00368","DB00988","DB01151","DB01345","DB01373"]},{"ID":"SMP00675","Drugs":["DB00368","DB00988","DB01081","DB01345","DB01373"]},{"ID":"SMP00687","Drugs":["DB00368","DB00704","DB00988","DB01345","DB01373"]},{"ID":"SMP00393","Drugs":["DB00297","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00396","Drugs":["DB00368","DB00527","DB00988","DB01345","DB01373"]},{"ID":"SMP00401","Drugs":["DB00368","DB00750","DB00988","DB01345","DB01373"]},{"ID":"SMP00408","Drugs":["DB00333","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00413","Drugs":["DB00368","DB00802","DB00988","DB01345","DB01373"]},{"ID":"SMP00415","Drugs":["DB00368","DB00813","DB00988","DB01345","DB01373"]},{"ID":"SMP00677","Drugs":["DB00368","DB00988","DB01227","DB01345","DB01373"]},{"ID":"SMP00684","Drugs":["DB00368","DB00921","DB00988","DB01345","DB01373"]},{"ID":"SMP00395","Drugs":["DB00368","DB00907","DB00988","DB01345","DB01373"]},{"ID":"SMP00400","Drugs":["DB00368","DB00892","DB00988","DB01345","DB01373"]},{"ID":"SMP00412","Drugs":["DB00368","DB00988","DB01192","DB01345","DB01373"]},{"ID":"SMP00423","Drugs":["DB00368","DB00988","DB01151","DB01345","DB01373"]},{"ID":"SMP00676","Drugs":["DB00368","DB00988","DB01209","DB01345","DB01373"]},{"ID":"SMP00681","Drugs":["DB00368","DB00988","DB01345","DB01373","DB01466"]},{"ID":"SMP00683","Drugs":["DB00368","DB00504","DB00988","DB01345","DB01373"]},{"ID":"SMP00688","Drugs":["DB00368","DB00988","DB01183","DB01345","DB01373"]},{"ID":"SMP00397","Drugs":["DB00368","DB00988","DB01002","DB01345","DB01373"]},{"ID":"SMP00402","Drugs":["DB00368","DB00721","DB00988","DB01345","DB01373"]},{"ID":"SMP00404","Drugs":["DB00296","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00409","Drugs":["DB00368","DB00497","DB00988","DB01345","DB01373"]},{"ID":"SMP00416","Drugs":["DB00368","DB00899","DB00988","DB01345","DB01373"]},{"ID":"SMP00671","Drugs":["DB00193","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00673","Drugs":["DB00368","DB00854","DB00988","DB01345","DB01373"]},{"ID":"SMP00678","Drugs":["DB00368","DB00988","DB01345","DB01373","DB01433"]},{"ID":"SMP00685","Drugs":["DB00368","DB00988","DB01345","DB01373","DB06274"]},{"ID":"SMP00398","Drugs":["DB00281","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00403","Drugs":["DB00368","DB00807","DB00988","DB01345","DB01373"]},{"ID":"SMP00410","Drugs":["DB00327","DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00417","Drugs":["DB00368","DB00708","DB00988","DB01345","DB01373"]},{"ID":"SMP00426","Drugs":["DB00368","DB00472","DB00988","DB01345","DB01373"]},{"ID":"SMP00672","Drugs":["DB00368","DB00647","DB00988","DB01345","DB01373"]},{"ID":"SMP00674","Drugs":["DB00368","DB00913","DB00988","DB01345","DB01373"]},{"ID":"SMP00686","Drugs":["DB00368","DB00652","DB00988","DB01345","DB01373"]},{"ID":"SMP00691","Drugs":["DB00368","DB00844","DB00988","DB01345","DB01373"]},{"ID":"SMP00406","Drugs":["DB00295","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00407","Drugs":["DB00295","DB00368","DB00988","DB01345","DB01373","DB01452","DB03166"]},{"ID":"SMP00405","Drugs":["DB00295","DB00318","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00431","Drugs":["DB00184","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00170","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00012","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00497","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB00989","Name":"Rivastigmine","DrugType":"small molecule","HalfLife":"1.5 hours","Description":"Rivastigmine is a parasympathomimetic or cholinergic agent for the treatment of mild to moderate dementia of the Alzheimer's type. Rivastigmine is a cholinesterase inhibitor that inhibits both butyrylcholinesterase and acetylcholinesterase.","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment of mild to moderate dementia associated with Parkinson's disease or of the Alzheimer's type.","Toxicity":"","MechanismOfAction":"Rivastigmine is a carbamate derivative that is structurally related to physostigmine, but not to donepezil and tacrine. The precise mechanism of rivastigmine has not been fully determined, but it is suggested that rivastigmine binds reversibly with and inactivates chlolinesterase (eg. acetylcholinesterase, butyrylcholinesterase), preventing the hydrolysis of acetycholine, and thus leading to an increased concentration of acetylcholine at cholinergic synapses. The anticholinesterase activity of rivastigmine is relatively specific for brain acetylcholinesterase and butyrylcholinesterase compared with those in peripheral tissues.","Pharmacodynamics":"Rivastigmine is a parasympathomimetic and a reversible cholinesterase inhibitor. An early pathophysiological feature of Alzheimer's disease that is associated with memory loss and cognitive deficits is a deficiency of acetylcholine as a result of selective loss of cholinergic neurons in the cerebral cortex, nucleus basalis, and hippocampus. Tacrine is postulated to exert its therapeutic effect by enhancing cholinergic function. While the precise mechanism of rivastigmine's action is unknown, it is postulated to exert its therapeutic effect by enhancing cholinergic function. This is accomplished by increasing the concentration of acetylcholine through reversible inhibition of its hydrolysis by cholinesterase. If this proposed mechanism is correct, rivastigmine's effect may lessen as the disease progresses and fewer cholinergic neurons remain functionally intact.","Absorption":"","Interactions":[{"ID":"DB00915"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00719"},{"ID":"DB00245"},{"ID":"DB00810"},{"ID":"DB00835"},{"ID":"DB01114"},{"ID":"DB00477"},{"ID":"DB01239"},{"ID":"DB00501"},{"ID":"DB00283"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB01176"},{"ID":"DB00924"},{"ID":"DB00434"},{"ID":"DB00496"},{"ID":"DB01151"},{"ID":"DB00804"},{"ID":"DB00985"},{"ID":"DB01075"},{"ID":"DB00280"},{"ID":"DB01142"},{"ID":"DB01148"},{"ID":"DB00875"},{"ID":"DB01437"},{"ID":"DB00986"},{"ID":"DB00557"},{"ID":"DB00424"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00408"},{"ID":"DB00934"},{"ID":"DB00737"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00334"},{"ID":"DB01173"},{"ID":"DB01062"},{"ID":"DB00850"},{"ID":"DB00454"},{"ID":"DB00780"},{"ID":"DB01100"},{"ID":"DB01035"},{"ID":"DB00433"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01622"},{"ID":"DB00679"},{"ID":"DB00697"},{"ID":"DB00656"},{"ID":"DB00831"},{"ID":"DB00376"},{"ID":"DB00662"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00990","Name":"Exemestane","DrugType":"small molecule","HalfLife":"24 hours","Description":"Exemestane is an oral steroidal aromatase inhibitor used in the adjuvant treatment of hormonally-responsive (also called hormone-receptor-positive, estrogen-responsive) breast cancer in postmenopausal women. It acts as a false substrate for the aromatase enzyme, and is processed to an intermediate that binds irreversibly to the active site of the enzyme causing its inactivation.","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"For the treatment of advanced breast cancer in postmenopausal women whose disease has progressed following tamoxifen therapy.","Toxicity":"Convulsions","MechanismOfAction":"Breast cancer cell growth may be estrogen-dependent. Aromatase (exemestane) is the principal enzyme that converts androgens to estrogens both in pre- and postmenopausal women. While the main source of estrogen (primarily estradiol) is the ovary in premenopausal women, the principal source of circulating estrogens in postmenopausal women is from conversion of adrenal and ovarian androgens (androstenedione and testosterone) to estrogens (estrone and estradiol) by the aromatase enzyme in peripheral tissues. Estrogen deprivation through aromatase inhibition is an effective and selective treatment for some postmenopausal patients with hormone-dependent breast cancer. Exemestane is an irreversible, steroidal aromatase inactivator, structurally related to the natural substrate androstenedione. It acts as a false substrate for the aromatase enzyme, and is processed to an intermediate that binds irreversibly to the active site of the enzyme causing its inactivation, an effect also known as \"suicide inhibition\". Exemestane significantly lowers circulating estrogen concentrations in postmenopausal women, but has no detectable effect on the adrenal biosynthesis of corticosteroids or aldosterone. This reduction in serum and tumor concentrations of estrogen delays tumor growth and disease progression. Exemestane has no effect on other enzymes involved in the steroidogenic pathway up to a concentration at least 600 times higher than that inhibiting the aromatase enzyme.","Pharmacodynamics":"Aromatase is an enzyme that converts hormones to estrogen in the body's adrenal glands. The aromatase inhibitors (AIs) are drugs that reduce estrogen levels by blocking the action of aromatase in the adrenal glands. The selective AIs (SAIs) selectively reduce levels of estrogen without interfering with levels of other steroid hormones that are produced by the adrenal gland. Drugs in this class include anastrozole (Arimidex \u0026trade;), letrozole (Femara \u0026trade;) and exemestane (Aromasin \u0026trade;).","Absorption":"42%","Interactions":[{"ID":"DB06414"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00991","Name":"Oxaprozin","DrugType":"small molecule","HalfLife":"54.9 hours","Description":"Oxaprozin is a non-narcotic, non-steroidal anti-inflammatory drug (NSAID), used to relieve the inflammation, swelling, stiffness, and joint pain associated with osteoarthritis and rheumatoid arthritis.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Used to relieve the inflammation, swelling, stiffness, and joint pain associated with rheumatoid arthritis and osteoarthritis.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 1210 mg/kg; Oral, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = 172 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 4470 mg/kg","MechanismOfAction":"Anti-inflammatory effects of Oxaprozin are believed to be due to inhibition of cylooxygenase in platelets which leads to the blockage of prostaglandin synthesis. Antipyretic effects may be due to action on the hypothalamus, resulting in an increased peripheral blood flow, vasodilation, and subsequent heat dissipation. Oxaprozin is a non-selective NSAID, with a cell assay system showing lower COX-2 selectivity implying higher COX-1 selectivity. ","Pharmacodynamics":"Oxaprozin is a nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic properties. Oxaprozin is used to treat rheumatoid arthritis, osteoarthritis, dysmenorrhea, and to alleviate moderate pain.","Absorption":"Oxaprozin is 95% absorbed after oral administration. Food may reduce the rate of absorption of oxaprozin, but the extent of absorption is unchanged. Antacids do not significantly affect the extent and rate of oxaprozin absorption.","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB01381"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00113","Drugs":["DB00142","DB00143","DB00991","DB01373","DB01593","DB04557"]}]},{"ID":"DB00992","Name":"Methyl aminolevulinate","DrugType":"small molecule","HalfLife":"","Description":"Methyl aminolevulinate is a prodrug that is metabolised to Protoporphyrin IX (a photosensitizer) used in photodynamic therapy.","Classification":{"Description":"This compound belongs to the delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.","DirectParent":"Delta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For topical use, in combination with 570 to 670 nm wavelength red light illumination, in the treatment of non-hyperkeratotic actinic keratoses of the face and scalp in immunocompetent patients when used in conjunction with lesion preparation (debridement using a sharp dermal curette).","Toxicity":"The severity of local phototoxic reactions such as erythema, pain and burning sensation may increase in case of prolonged application time or very high light intensity.","MechanismOfAction":"Photosensitization following application of methyl aminolevulinate cream occurs through the metabolic conversion of methyl aminolevulinate (prodrug) to photoactive porphyrins (PAP), which accumulates in the skin lesions to which the cream has been applied. When exposed to light of appropriate wavelength and energy, the accumulated photoactive porphyrins produce a photodynamic reaction, resulting in a cytotoxic process dependent upon the simultaneous presence of oxygen. The absorption of light results in an excited state of porphyrin molecules, and subsequent spin transfer from photoactive porphyrins to molecular oxygen generates singlet oxygen, which can further react to form superoxide and hydroxyl radicals.","Pharmacodynamics":"After topical application of methyl aminolevulinate, porphyrins will accumulate intracellularly in the treated skin lesions. The intracellular porphyrins (including PpIX) are photoactive, fluorescing compounds and, upon light activation in the presence of oxygen, singlet oxygen is formed which causes damage to cellular compartments, in particular the mitochondria. Light activation of accumulated porphyrins leads to a photochemical reaction and thereby phototoxicity to the light-exposed target cells.","Absorption":"In vitro, after 24 hours the mean cumulative absorption through human skin was 0.26% of the administered dose.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00993","Name":"Azathioprine","DrugType":"small molecule","HalfLife":"","Description":"An immunosuppressive antimetabolite pro-drug. It is an imidazolyl derivative of 6-mercaptopurine and many of its biological effects are similar to those of the parent compound. Azathioprine is converted into 6-mercaptopurine in the body where it blocks purine metabolism and DNA synthesis.","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For use in rheumatoid arthritis, preventing renal transplant rejection, Crohn's disease, and colitis.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e for single doses of azathioprine in mice and rats are 2500 mg/kg and 400 mg/kg, respectively. Very large doses of this antimetabolite may lead to marrow hypoplasia, bleeding, infection, and death.","MechanismOfAction":"Azathioprine antagonizes purine metabolism and may inhibit synthesis of DNA, RNA, and proteins. It may also interfere with cellular metabolism and inhibit mitosis. Its mechanism of action is likely due to incorporation of thiopurine analogues into the DNA structure, causing chain termination and cytotoxicity.","Pharmacodynamics":"Azathioprine is a chemotherapy drug, now rarely used for chemotherapy but more for immunosuppression in organ transplantation and autoimmune disease such as rheumatoid arthritis or inflammatory bowel disease or Crohn's disease. It is a pro-drug, converted in the body to the active metabolite 6-mercaptopurine. Azathioprine acts to inhibit purine synthesis necessary for the proliferation of cells, especially leukocytes and lymphocytes. It is a safe and effective drug used alone in certain autoimmune diseases, or in combination with other immunosuppressants in organ transplantation. Its most severe side effect is bone marrow suppression, and it should not be given in conjunction with purine analogues such as allopurinol. The enzyme thiopurine S-methyltransferase (TPMT) deactivates 6-mercaptopurine. Genetic polymorphisms of TPMT can lead to excessive drug toxicity, thus assay of serum TPMT may be useful to prevent this complication.","Absorption":"Well absorbed following oral administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB00437"},{"ID":"DB00233"},{"ID":"DB01125"},{"ID":"DB00732"},{"ID":"DB06168"},{"ID":"DB00266"},{"ID":"DB01135"},{"ID":"DB04854"},{"ID":"DB00244"},{"ID":"DB01336"},{"ID":"DB01226"},{"ID":"DB01250"},{"ID":"DB01337"},{"ID":"DB06372"},{"ID":"DB00795"},{"ID":"DB00519"},{"ID":"DB00072"},{"ID":"DB01199"},{"ID":"DB01339"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000012","Name":"Azathioprine Sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00645","Drugs":["DB00993","DB01033"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB00994","Name":"Neomycin","DrugType":"small molecule","HalfLife":"2 to 3 hours","Description":"A component of neomycin that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). Neomycin is a bactericidal aminoglycoside antibiotic that binds to the 30S ribosome of susceptible organisms. Binding interferes with mRNA binding and acceptor tRNA sites and results in the production of non-functional or toxic peptides. ","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"Topical uses include treatment for superficial eye infections caused by susceptible bacteria (used in combination with other antiinfectives), treatment of otitis externa caused by susceptible bacteria, treatment or prevention of bacterial infections in skin lesions, and use as a continuous short-term irrigant or rinse to prevent bacteriuria and gram negative rod bacteremia in abacteriuric patients with indwelling catheters. May be used orally to treat hepatic encephalopathy, as a perioperative prophylactic agent, and as an adjunct to fluid and electrolyte replacement in the treatment of diarrhea caused to enteropathogenic E. coli (EPEC). ","Toxicity":"LD50 = 200 mg/kg (rat). Because of low absorption, it is unlikely that acute overdosage would occur with oral neomycin. However, prolonged administration could result in sufficient systemic drug levels to produce neurotoxicity, ototoxicity and/or nephrotoxicity. Nephrotoxicity occurs via drug accumulation in renal proximal tubular cells resulting in cellular damage. Tubular cells may regenerate despite continued exposure and nephrotoxicity is usually mild reversible. Neomycin is the most toxic aminoglycoside agent, which is thought to be due to its large number of cationic amino groups. Otoxocity occurs via drug accumulation in the endolymph and perilymph of the inner ear causing irreversible damage to hair cells in the cochlea or summit of ampullar cristae in the vestibular complex. High frequency hearing loss is followed by low frequency hearing loss. Further toxicity may cause retrograde degeneration of the auditory nerve. Vestibular toxicity may result in vertigo, nausea and vomiting, dizziness and loss of balance. ","MechanismOfAction":"Aminoglycosides like neomycin \"irreversibly\" bind to specific 30S-subunit proteins and 16S rRNA. Specifically neomycin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to interference with the initiation complex, misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes.","Pharmacodynamics":"Neomycin is an aminoglycoside antibiotic. Aminoglycosides work by binding to the bacterial 30S ribosomal subunit, causing misreading of t-RNA, leaving the bacterium unable to synthesize proteins vital to its growth. Aminoglycosides are useful primarily in infections involving aerobic, Gram-negative bacteria, such as Pseudomonas, Acinetobacter, and Enterobacter. In addition, some mycobacteria, including the bacteria that cause tuberculosis, are susceptible to aminoglycosides. Infections caused by Gram-positive bacteria can also be treated with aminoglycosides, but other types of antibiotics are more potent and less damaging to the host. In the past the aminoglycosides have been used in conjunction with penicillin-related antibiotics in streptococcal infections for their synergistic effects, particularly in endocarditis. Aminoglycosides are mostly ineffective against anaerobic bacteria, fungi and viruses.","Absorption":"Poorly absorbed from the normal gastrointestinal tract. Although only approximately 3% of neomycin is absorbed through intact intestinal mucosa, significant amounts may be absorbed through ulcerated or denuded mucosa or if inflammation is present.","Interactions":[{"ID":"DB00493"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB00438"},{"ID":"DB01212"},{"ID":"DB01111"},{"ID":"DB00864"},{"ID":"DB01607"}],"Salts":[{"ID":"DBSALT000472","Name":"Neomycin Sulfate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00256","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00994","DB01972","DB02431","DB03685"]}]},{"ID":"DB00995","Name":"Auranofin","DrugType":"small molecule","HalfLife":"","Description":"Auranofin is a organogold compound classified by the World Health Organization as an antirheumatic agent. Auranofin appears to induce heme oxygenase 1 (HO-1) mRNA. Heme oxygenase 1 is an inducible heme-degrading enzyme with anti-inflammatory properties.","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"Used in the treatment of active, progressive or destructive forms of inflammatory arthritis, such as adult rheumatoid arthritis.","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = \u003e 2000 mg/kg. Symptoms of overdose may include diarrhoea, vomiting, abdominal cramps, and symptoms of hypersensitivity (such as skin rash, hives, itching, and difficulty breathing).","MechanismOfAction":"Exactly how auranofin works is not well understood. It may act as an inhibitor of kappab kinase and thioredoxin reductase which would lead to a decreased immune response and decreased free radical production, respectively. In patients with inflammatory arthritis, such as adult and juvenile rheumatoid arthritis, gold salts can decrease the inflammation of the joint lining. This effect can prevent destruction of bone and cartilage.","Pharmacodynamics":"Auranofin is a gold salt used in treating inflammatory arthritis. Gold salts are called second-line drugs because they are often considered when the arthritis progresses in spite of antiinflammatory drugs (NSAIDs and corticosteroids).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB00996","Name":"Gabapentin","DrugType":"small molecule","HalfLife":"5-7 hours","Description":"Gabapentin (brand name Neurontin) is a medication originally developed for the treatment of epilepsy. Presently, gabapentin is widely used to relieve pain, especially neuropathic pain. Gabapentin is well tolerated in most patients, has a relatively mild side-effect profile, and passes through the body unmetabolized.","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the management of postherpetic neuralgia in adults and as adjunctive therapy in the treatment of partial seizures with and without secondary generalization in patients over 12 years of age with epilepsy.","Toxicity":"Symptoms of overdose include ataxia, labored breathing, ptosis, sedation, hypoactivity, and excitation.","MechanismOfAction":"Gabapentin interacts with cortical neurons at auxillary subunits of voltage-sensitive calcium channels. Gabapentin increases the synaptic concentration of GABA, enhances GABA responses at non-synaptic sites in neuronal tissues, and reduces the release of mono-amine neurotransmitters. One of the mechanisms implicated in this effect of gabapentin is the reduction of the axon excitability measured as an amplitude change of the presynaptic fibre volley (FV) in the CA1 area of the hippocampus. This is mediated through its binding to presynaptic NMDA receptors. Other studies have shown that the antihyperalgesic and antiallodynic effects of gabapentin are mediated by the descending noradrenergic system, resulting in the activation of spinal alpha2-adrenergic receptors. Gabapentin has also been shown to bind and activate the adenosine A1 receptor.","Pharmacodynamics":"Gabapentin, an analog of GABA, is used as an anticonvulsant to treat partial seizures, amyotrophic lateral sclerosis (ALS), and painful neuropathies. Potential uses include monotherapy of refractory partial seizure disorders, and treatment of spasticity in multiple sclerosis, tremor. mood disorders, and attenuation of disruptive behaviors in dementia. Gabapentin has high lipid solubility, is not metabolized by the liver, has no protein binding, and doesn't possess the usual drug interactions.","Absorption":"Rapid. Absorbed in part by the L-amino acid transport system, which is a carrier-mediated, saturable transport system; as the dose increases, bioavailability decreases. Bioavailability ranges from approximately 60% for a 900 mg dose per day to approximately 27% for a 4800 milligram dose per day. Food has a slight effect on the rate and extent of absorption of gabapentin (14% increase in AUC).","Interactions":[{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB00252"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00997","Name":"Doxorubicin","DrugType":"small molecule","HalfLife":"Terminal half life = 20 - 48 hours. ","Description":"Doxorubicin is a cytotoxic anthracycline antibiotic isolated from cultures of Streptomyces peucetius var. caesius. Doxorubicin binds to nucleic acids, presumably by specific intercalation of the planar anthracycline nucleus with the DNA double helix.","Classification":{"Description":"This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.","DirectParent":"Anthracyclines","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Anthracyclines","SubClass":""},"Indication":"Doxorubicin is used to produce regression in disseminated neoplastic conditions like acute lymphoblastic leukemia, acute myeloblastic leukemia, Wilms’ tumor, neuroblastoma, soft tissue and bone sarcomas, breast carcinoma, ovarian carcinoma, transitional cell bladder carcinoma, thyroid carcinoma, gastric carcinoma, Hodgkin’s disease, malignant lymphoma and bronchogenic carcinoma in which the small cell histologic type is the most responsive compared to other cell types. Doxorubicin is also indicated for use as a component of adjuvant therapy in women with evidence of axillary lymph node involvement following resection of primary breast cancer.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=21800 ug/kg (rat, subcutaneous)","MechanismOfAction":"Doxorubicin has antimitotic and cytotoxic activity through a number of proposed mechanisms of action: Doxorubicin forms complexes with DNA by intercalation between base pairs, and it inhibits topoisomerase II activity by stabilizing the DNA-topoisomerase II complex, preventing the religation portion of the ligation-religation reaction that topoisomerase II catalyzes.","Pharmacodynamics":"Doxorubicin is an antineoplastic in the anthracycline class. General properties of drugs in this class include: interaction with DNA in a variety of different ways including intercalation (squeezing between the base pairs), DNA strand breakage and inhibition with the enzyme topoisomerase II. Most of these compounds have been isolated from natural sources and antibiotics. However, they lack the specificity of the antimicrobial antibiotics and thus produce significant toxicity. The anthracyclines are among the most important antitumor drugs available. Doxorubicin is widely used for the treatment of several solid tumors while daunorubicin and idarubicin are used exclusively for the treatment of leukemia. Doxorubicin may also inhibit polymerase activity, affect regulation of gene expression, and produce free radical damage to DNA. Doxorubicin possesses an antitumor effect against a wide spectrum of tumors, either grafted or spontaneous. The anthracyclines are cell cycle-nonspecific.","Absorption":"","Interactions":[{"ID":"DB06695"},{"ID":"DB00390"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00072"},{"ID":"DB00582"},{"ID":"DB00495"}],"Salts":[{"ID":"DBSALT000060","Name":"Doxorubicin Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00650","Drugs":["DB00997","DB03247"]}]},{"ID":"DB00998","Name":"Frovatriptan","DrugType":"small molecule","HalfLife":"26 hours","Description":"Frovatriptan (Frova®) is a triptan drug developed by Vernalis for the treatment of migraine headaches, in particular those associated with menstruation. The product is licensed to Endo Pharmaceuticals in North America and Menarini in Europe.[1] Frovatriptan causes vasoconstriction of arteries and veins that supply blood to the head. It is available as 2.5 mg tablets.\r\n\r\nFrovatriptan has mean terminal elimination half-life of approximately 26 hours, which is substantially longer than other triptans.\r\n\r\nFrovatriptan is available only by prescription in the United States, where a secondary New Drug Approval (sNDA) was filed in July 2006[2] and which is currently pending.[3] The FDA anticipates completing its review of this application on or before the current PDUFA (Prescription Drug User Fee Act) review date of August 19, 2007. If the sNDA is approved, Frova® will be the only medication indicated in the U.S. for the short-term prevention of menstrual migraine (MM).","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"For the acute treatment of migraine attacks with or without aura in adults.","Toxicity":"There is no direct experience of any patient taking an overdose of Frovatriptan. The maximum single dose of frovatriptan given to male and female patients with migraine was 40 mg (16 times the clinical dose) and the maximum single dose given to healthy male subjects was 100 mg (40 times the clinical dose) without significant adverse events.","MechanismOfAction":"Three distinct pharmacological actions have been implicated in the antimigraine effect of the triptans: (1) stimulation of presynaptic 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors, which serves to inhibit both dural vasodilation and inflammation; (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT\u003csub\u003e1B/1D\u003c/sub\u003e receptor agonism in the brainstem and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT\u003csub\u003e1B\u003c/sub\u003e receptor agonism.","Pharmacodynamics":"Frovatriptan is a second generation triptan 5-HT receptor agonist that binds with high affinity for 5-HT\u003csub\u003e1B\u003c/sub\u003e and 5-HT\u003csub\u003e1D\u003c/sub\u003e receptors. It is structurally distinct from, but pharmacologically related to other selective 5-HT\u003csub\u003e1B/1D\u003c/sub\u003e receptor agonists. Frovatriptan has no significant effects on GABA\u003csub\u003eA\u003c/sub\u003e mediated channel activity and has no significant affinity for benzodiazepine binding sites. Frovatriptan is believed to act on extracerebral, intracranial arteries and to inhibit excessive dilation of these vessels in migraine. Research has shown that migraine can be caused by the swelling of blood vessels around the brain. Frovatriptan eases the pain associated with migraine by narrowing these blood vessels. Frovatriptan has one of the highest affinities for the 5-HT\u003csub\u003e1B\u003c/sub\u003e of the second-generation triptan agonists.","Absorption":"Frovatriptan is rapidly absorbed from the duodenum, but has low oral bioavailability.","Interactions":[{"ID":"DB00215"},{"ID":"DB06700"},{"ID":"DB00320"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB01149"},{"ID":"DB00715"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB00999","Name":"Hydrochlorothiazide","DrugType":"small molecule","HalfLife":"5.6 and 14.8 hours","Description":"A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It has been used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism. [PubChem]","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"For the treatment of high blood pressure and management of edema.","Toxicity":"The most common signs and symptoms observed are those caused by electrolyte depletion (hypokalemia, hypochloremia, hyponatremia) and dehydration resulting from excessive diuresis. If digitalis has also been administered, hypokalemia may accentuate cardiac arrhythmias. The oral LD50 of hydrochlorothiazide is greater than 10 g/kg in the mouse and rat.","MechanismOfAction":"Hydrochlorothiazide, a thiazide diuretic, inhibits water reabsorption in the nephron by inhibiting the sodium-chloride symporter (SLC12A3) in the distal convoluted tubule, which is responsible for 5% of total sodium reabsorption. Normally, the sodium-chloride symporter transports sodium and chloride from the lumen into the epithelial cell lining the distal convoluted tubule. The energy for this is provided by a sodium gradient established by sodium-potassium ATPases on the basolateral membrane. Once sodium has entered the cell, it is transported out into the basolateral interstitium via the sodium-potassium ATPase, causing an increase in the osmolarity of the interstitium, thereby establishing an osmotic gradient for water reabsorption. By blocking the sodium-chloride symporter, hydrochlorothiazide effectively reduces the osmotic gradient and water reabsorption throughout the nephron.","Pharmacodynamics":"Thiazides such as hydrochlorothiazide promote water loss from the body (diuretics). They inhibit Na\u003csup\u003e+\u003c/sup\u003e/Cl\u003csup\u003e-\u003c/sup\u003e reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue.","Absorption":"50-60%","Interactions":[{"ID":"DB01078"},{"ID":"DB01119"},{"ID":"DB01396"},{"ID":"DB00390"},{"ID":"DB01551"},{"ID":"DB00204"},{"ID":"DB05039"},{"ID":"DB00046"},{"ID":"DB01356"},{"ID":"DB00469"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00100","Drugs":["DB00151","DB00999","DB01345","DB03904"]}]},{"ID":"DB01000","Name":"Cyclacillin","DrugType":"small molecule","HalfLife":"","Description":"A cyclohexylamido analog of penicillanic acid. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of bacterial infections caused by susceptible organisms.","Toxicity":"Symptoms of overdose include severe diarrhea, nausea and vomiting.","MechanismOfAction":"The bactericidal activity of cyclacillin results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cyclacillin is stable in the presence of a variety of b-lactamases, including penicillinases and some cephalosporinases.","Pharmacodynamics":"Cyclacillin, a penicillin, is a cyclohexylamido analog of penicillanic acid. Cyclacillin is more resistant to beta-lactamase hydrolysis than ampicillin, is much better absorbed when given by mouth and, as a result, the levels reached in the blood and in the urine are considerably higher than those obtained with the same dose of ampicillin. Cyclacillin has been replaced by newer penicillin treatments.","Absorption":"Moderately absorbed.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01017"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01001","Name":"Salbutamol","DrugType":"small molecule","HalfLife":"1.6 hours","Description":"Salbutamol is a short-acting, selective beta2-adrenergic receptor agonist used in the treatment of asthma and COPD. It is 29 times more selective for beta2 receptors than beta1 receptors giving it higher specificity for pulmonary beta receptors versus beta1-adrenergic receptors located in the heart. Salbutamol is formulated as a racemic mixture of the R- and S-isomers. The R-isomer has 150 times greater affinity for the beta2-receptor than the S-isomer and the S-isomer has been associated with toxicity. This lead to the development of levalbuterol, the single R-isomer of salbutamol. However, the high cost of levalbuterol compared to salbutamol has deterred wide-spread use of this enantiomerically pure version of the drug. Salbutamol is generally used for acute episodes of bronchospasm caused by bronchial asthma, chronic bronchitis and other chronic bronchopulmonary disorders such as chronic obstructive pulmonary disorder (COPD). It is also used prophylactically for exercise-induced asthma. ","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For symptomatic relief and prevention of bronchospasm due to bronchial asthma, chronic bronchitis, and other chronic bronchopulmonary disorders such as COPD. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1100 mg/kg (orally in mice)","MechanismOfAction":"Salbutamol is a beta(2)-adrenergic agonist and thus it stimulates beta(2)-adrenergic receptors. Binding of albuterol to beta(2)-receptors in the lungs results in relaxation of bronchial smooth muscles. It is believed that salbutamol increases cAMP production by activating adenylate cyclase, and the actions of salbutamol are mediated by cAMP. Increased intracellular cyclic AMP increases the activity of cAMP-dependent protein kinase A, which inhibits the phosphorylation of myosin and lowers intracellular calcium concentrations. A lowered intracellular calcium concentration leads to a smooth muscle relaxation and bronchodilation. In addition to bronchodilation, salbutamol inhibits the release of bronchoconstricting agents from mast cells, inhibits microvascular leakage, and enhances mucociliary clearance. ","Pharmacodynamics":"Salbutamol (INN) or albuterol (USAN), a moderately selective beta(2)-receptor agonist similar in structure to terbutaline, is widely used as a bronchodilator to manage asthma and other chronic obstructive airway diseases. The R-isomer, levalbuterol, is responsible for bronchodilation while the S-isomer increases bronchial reactivity. The R-enantiomer is sold in its pure form as Levalbuterol. The manufacturer of levalbuterol, Sepracor, has implied (although not directly claimed) that the presence of only the R-enantiomer produces fewer side-effects.","Absorption":"Systemic absorption is rapid following aerosol administration.","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00187"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00598"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00264"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB01203"},{"ID":"DB00540"},{"ID":"DB01580"},{"ID":"DB00780"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00373"}],"Salts":[{"ID":"DBSALT000257","Name":"Salbutamol Sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01002","Name":"Levobupivacaine","DrugType":"small molecule","HalfLife":"3.3 hours","Description":"Levobupivacaine is an amino-amide local anaesthetic drug belonging to the family of n-alkylsubstituted\r\npipecoloxylidide. It is the S-enantiomer of bupivacaine. Levobupivacaine hydrochloride is commonly marketed by AstraZeneca under the trade name Chirocaine. Compared to bupivacaine, levobupivacaine is associated with less vasodilation and has a longer duration of action. It is approximately 13 per cent less potent (by molarity) than racemic bupivacaine.Levobupivacaine is indicated for local anaesthesia including infiltration, nerve block, ophthalmic, epidural and intrathecal anaesthesia in adults; and infiltration analgesia in children. Adverse drug reactions (ADRs) are rare when it is administered correctly. Most ADRs relate to administration technique (resulting in systemic exposure) or pharmacological effects of anesthesia, however allergic reactions can rarely occur. [Wikipedia]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the production of local or regional anesthesia for surgery and obstetrics, and for post-operative pain management","Toxicity":"LD50: 5.1mg/kg in rabbit, intravenous; 18mg/kg in rabbit, oral; 207mg/kg in rabbit, parenteral; 63mg/kg in rat, subcutaneous (Archives Internationales de Pharmacodynamie et de Therapie. Vol. 200, Pg. 359, 1972.) Levobupivacaine appears to cause less myocardial depression than both bupivacaine and ropivacaine, despite being in higher concentrations.","MechanismOfAction":"Local anesthetics such as Levobupivacaine block the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse, and by reducing the rate of rise of the action potential. In general, the progression of anesthesia is related to the diameter, myelination and conduction velocity of affected nerve fibers. Specifically, the drug binds to the intracellular portion of sodium channels and blocks sodium influx into nerve cells, which prevents depolarization.","Pharmacodynamics":"Levobupivacaine, a local anesthetic agent, is indicated for the production of local or regional anesthesia or analgesia for surgery, for oral surgery procedures, for diagnostic and therapeutic procedures, and for obstetrical procedures.","Absorption":"The plasma concentration of levobupivacaine following therapeutic administration depends on dose and also on route of administration, because absorption from the site of administration is affected by the vascularity of the tissue. Peak levels in blood were reached approximately 30 minutes after epidural administration, and doses up to 150 mg resulted in mean C\u003csub\u003emax\u003c/sub\u003e levels of up to 1.2 µg/mL.","Interactions":null,"Salts":[{"ID":"DBSALT000834","Name":"Levobupivacaine hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00397","Drugs":["DB00368","DB00988","DB01002","DB01345","DB01373"]}]},{"ID":"DB01003","Name":"Cromoglicic acid","DrugType":"small molecule","HalfLife":"1.3 hours","Description":"A chromone complex that acts by inhibiting the release of chemical mediators from sensitized mast cells. It is used in the prophylactic treatment of both allergic and exercise-induced asthma, but does not affect an established asthmatic attack. [PubChem]","Classification":{"Description":"This compound belongs to the chromones. These are compounds containing a benzopyran-4-one moiety.","DirectParent":"Chromones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Chromones"},"Indication":"For the management of patients with bronchial asthma. Also used in the treatment of vernal keratoconjunctivitis, vernal conjunctivitis, and vernal keratitis.","Toxicity":"Symptoms of overdose include cough, nasal congestion, nausea, sneezing and wheezing.","MechanismOfAction":"Cromoglicate inhibits degranulation of mast cells, subsequently preventing the release of histamine and slow-reacting substance of anaphylaxis (SRS-A), mediators of type I allergic reactions. Cromoglicate also may reduce the release of inflammatory leukotrienes. Cromoglicate may act by inhibiting calcium influx.","Pharmacodynamics":"Cromoglicate or cromolyn (USAN), a synthetic compound, inhibits antigen-induced bronchospasms and, hence, is used to treat asthma and allergic rhinitis. Cromoglicate is used as an ophthalmic solution to treat conjunctivitis and is taken orally to treat systemic mastocytosis and ulcerative colitis.","Absorption":"1%","Interactions":null,"Salts":[{"ID":"DBSALT000985","Name":"Sodium cromoglicate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01004","Name":"Ganciclovir","DrugType":"small molecule","HalfLife":"2.5 to 3.6 hours (mean 2.9 hours) when administered intravenously in adults. 3.1 to 5.5 hours when administered orally in adults. Renal function impairment causes a marked increase in half life (9 to 30 hours intravenously, 15.7 to 18.2 hours orally).","Description":"An acyclovir analog that is a potent inhibitor of the Herpesvirus family including cytomegalovirus. Ganciclovir is used to treat complications from AIDS-associated cytomegalovirus infections. [PubChem]","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For induction and maintenance in the treatment of cytomegalovirus (CMV) retinitis in immunocompromised patients, including patients with acquired immunodeficiency syndrome (AIDS). Also used in the treatment of severe cytomegalovirus (CMV) disease, including CMV pneumonia, CMV gastrointestinal disease, and disseminated CMV infections, in immunocompromised patients.","Toxicity":"Oral, mouse LD\u003csub\u003e50\u003c/sub\u003e: \u003e 2g/kg. Intravenous, dog LD\u003csub\u003e50\u003c/sub\u003e: \u003e 150mg/kg. Symptoms of overdose include irreversible pancytopenia, worsening GI symptoms, and acute renal failure. Suspected cancer agent.","MechanismOfAction":"Ganciclovir's antiviral activity inhibits virus replication. This inhibitory action is highly selective as the drug must be converted to the active form by a virus-encoded cellular enzyme, thymidine kinase (TK). TK catalyzes phosphorylation of ganciclovir to the monophosphate, which is then subsequently converted into the diphosphate by cellular guanylate kinase and into the triphosphate by a number of cellular enzymes. \u003ci\u003eIn vitro\u003c/i\u003e, ganciclovir triphosphate stops replication of herpes viral DNA. When used as a substrate for viral DNA polymerase, ganciclovir triphosphate competitively inhibits dATP leading to the formation of 'faulty' DNA. This is where ganciclovir triphosphate is incorporated into the DNA strand replacing many of the adenosine bases. This results in the prevention of DNA synthesis, as phosphodiester bridges can longer to be built, destabilizing the strand. Ganciclovir inhibits viral DNA polymerases more effectively than it does cellular polymerase, and chain elongation resumes when ganciclovir is removed.","Pharmacodynamics":"Ganciclovir is a synthetic nucleoside analogue of 2'-deoxyguanosine that inhibits replication of herpes viruses both \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e. Sensitive human viruses include cytomegalovirus (CMV), herpes simplex virus -1 and -2 (HSV-1, HSV-2), Epstein-Barr virus (EBV) and varicella zoster virus (VZV), however clinical studies have been limited to assessment of efficacy in patients with CMV infection. Ganciclovir is a prodrug that is structurally similar to acyclovir. It inhibits virus replication by its encorporation into viral DNA. This encorporation inhibits dATP and leads to defective DNA, ceasing or retarding the viral machinery required to spread the virus to other cells.","Absorption":"Poorly absorbed systemically following oral administration. Bioavailability under fasting conditions is approximately 5%, and when administered with food, 6 to 9% (about 30% with a fatty meal).","Interactions":[{"ID":"DB01048"},{"ID":"DB00900"},{"ID":"DB01032"},{"ID":"DB00495"}],"Salts":[{"ID":"DBSALT000309","Name":"Ganciclovir Sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01005","Name":"Hydroxyurea","DrugType":"small molecule","HalfLife":"3-4 hours","Description":"An antineoplastic agent that inhibits DNA synthesis through the inhibition of ribonucleoside diphosphate reductase. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For management of melanoma, resistant chronic myelocytic leukemia, and recurrent, metastatic, or inoperable carcinoma of the ovary and Sickle-cell anemia.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 7330 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 5760 mg/kg\r\nTeratogenicity: Teratogenic effects have occurred in experimental animals.Hydroxyurea use during a small number of human pregnancies has been reported. Adverse effects have not been observed in any of the exposed newborns.\r\nReproductive Effects: Adverse reproductive effects have occurred in experimental animals.\r\nMutagenicity: Mutagenic effects have occurred in experimental animals.Mutagenic effects have occurred in humans.","MechanismOfAction":"Hydroxyurea is converted to a free radical nitroxide (NO) in vivo, and transported by diffusion into cells where it quenches the tyrosyl free radical at the active site of the M2 protein subunit of ribonucleotide reductase, inactivating the enzyme. The entire replicase complex, including ribonucleotide reductase, is inactivated and DNA synthesis is selectively inhibited, producing cell death in S phase and synchronization of the fraction of cells that survive. Repair of DNA damaged by chemicals or irradiation is also inhibited by hydroxyurea, offering potential synergy between hydroxyurea and radiation or alkylating agents. Hydroxyurea also increases the level of fetal hemoglobin, leading to a reduction in the incidence of vasoocclusive crises in sickle cell anemia. Levels of fetal hemoglobin increase in response to activation of soluble guanylyl cyclase (sGC) by hydroxyurea-derived NO.","Pharmacodynamics":"Hydroxyurea has dose-dependent synergistic activity with cisplatin \u003ci\u003ein vitro\u003c/i\u003e. \u003ci\u003eIn vivo\u003c/i\u003e Hydroxyurea showed activity in combination with cisplatin against the LX-1 and CALU-6 human lung xenografts, but minimal activity was seen with the NCI-H460 or NCI-H520 xenografts. Hydroxyurea was synergistic with cisplatin in the Lewis lung murine xenograft. Sequential exposure to Hydroxyurea 4 hours before cisplatin produced the greatest interaction.","Absorption":"Well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB08879"},{"ID":"DB06769"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01006","Name":"Letrozole","DrugType":"small molecule","HalfLife":"2 days","Description":"Letrozole (INN, trade name Femara®) is an oral non-steroidal aromatase inhibitor that has been introduced for the adjuvant treatment of hormonally-responsive breast cancer\r\n\r\nEstrogens are produced by the conversion of androgens through the activity of the aromatase enzyme. Letrozole blocks production of estrogens in this way by competitive, reversible binding to the heme of its cytochrome P450 unit. The action is specific, and letrozole does not reduce production of mineralo- or corticosteroids. In contrast, the antiestrogenic action of tamoxifen, the major medical therapy prior to the arrival of aromatase inhibitors, is due to its interfering with the estrogen receptor, rather than inhibiting estrogen production.\r\nLetrozole is approved by the United States Food and Drug Administration (FDA) for the treatment of local or metastatic breast cancer that is hormone receptor positive or has an unknown receptor status in postmenopausal women. Side effects include signs and symptoms of hypoestrogenism. There is concern that long term use may lead to osteoporosis, which is why prescriptions of Letrozole are often accompanied by prescriptions of osteoporosis-fighting medication such as Fosamax.\r\nLetrozole has shown to reduce estrogen levels by 98 percent while raising testosterone levels. The anti-estrogen action of letrozole is preferred by athletes and bodybuilders for use during a steroid cycle to reduce bloating due to excess water retention and prevent the formation of gynecomastia related breast tissue that is a side effect of some anabolic steroids. Usage above 2.5 mg/day is known to potentially temporarily kill sex drive. Above 5mg/day for extended periods may cause kidney problems.\r\n\r\nLetrozole has also been shown to delay the fusing of the growth plates in adolescents. This may boost the effectiveness of growth hormone, and thus Letrozole is used to treat adolescents and children with short stature.\r\n\r\n","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the extended adjuvant treatment of early breast cancer in postmenopausal women who have received 5 years of adjuvant tamoxifen therapy. Also for first-line treatment of postmenopausal women with hormone receptor positive or hormone receptor unknown locally advanced or metastatic breast cancer. Also indicated for the treatment of advanced breast cancer in postmenopausal women with disease progression following antiestrogen therapy.","Toxicity":"","MechanismOfAction":"Letrozole is a nonsteroidal competitive inhibitor of the aromatase enzyme system; it inhibits the conversion of androgens to estrogens. In adult nontumor- and tumorbearing female animals, letrozole is as effective as ovariectomy in reducing uterine weight, elevating serum Leuteinizing hormone (LH), and causing the regression of estrogen-dependent tumors. In contrast to ovariectomy, treatment with letrozole does not lead to an increase in serum (folicile stimulating hormone (FSH). Letrozole selectively inhibits gonadal steroidogenesis but has no significant effect on adrenal mineralocorticoid or glucocorticoid synthesis.","Pharmacodynamics":"Letrozole is an aromatase inhibitor used in the treatment of breast cancer. Aromatase inhibitors work by inhibiting the action of the enzyme aromatase, which converts androgens into estrogens by a process called aromatization. As breast tissue is stimulated by estrogens, decreasing their production is a way of suppressing recurrence of the breast tumor tissue.","Absorption":"Rapidly and completely absorbed. Absorption is not affected by food.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01007","Name":"Tioconazole","DrugType":"small molecule","HalfLife":"","Description":"Tioconazole is an antifungal medication of the Imidazole class used to treat infections caused by a fungus or yeast. Tioconazole topical (skin) preparations are also available for ringworm, jock itch, athlete's foot, and tinea versicolor or \"sun fungus\". Tioconazole interacts with 14-alpha demethylase, a cytochrome P-450 enzyme that converts lanosterol to ergosterol, an essential component of the yeast membrane. In this way, tioconazole inhibits ergosterol synthesis, resulting in increased cellular permeability.","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"For the local treatment of vulvovaginal candidiasis (moniliasis).","Toxicity":"Symptoms of overdose include erythema, stinging, blistering, peeling, edema, pruritus, urticaria, burning,\r\nand general irritation of the skin, and cramps.","MechanismOfAction":"Tioconazole interacts with 14-\u0026alpha; demethylase, a cytochrome P-450 enzyme that converts lanosterol to ergosterol, an essential component of the yeast membrane. In this way, tioconazole inhibits ergosterol synthesis, resulting in increased cellular permeability. Tioconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms and the uptake of purine, impair triglyceride and/or phospholipid biosynthesis, and inhibit the movement of calcium and potassium ions across the cell membrane by blocking the ion transport pathway known as the Gardos channel.","Pharmacodynamics":"Tioconazole is a broad-spectrum imidazole antifungal agent that inhibits the growth of human pathogenic yeasts. Tioconazole exhibits fungicidal activity in vitro against \u003ci\u003eCandida albicans\u003c/i\u003e, other species of the genus Candida, and against \u003ci\u003eTorulopsis glabrata\u003c/i\u003e. Tioconazole prevents the growth and function of some fungal organisms by interfering with the production of substances needed to preserve the cell membrane. This drug is effective only for infections caused by fungal organisms. It will not work for bacterial or viral infections.","Absorption":"Systemic absorption following a single intravaginal application of tioconazole in nonpregnant patients is negligible.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01008","Name":"Busulfan","DrugType":"small molecule","HalfLife":"2.6 hours","Description":"Busulfan is a bifunctional alkylating agent, having a selective immunosuppressive effect on bone marrow. It is not a structural analog of the nitrogen mustards. It has been used in the palliative treatment of chronic myeloid leukemia (myeloid leukemia, chronic), but although symptomatic relief is provided, no permanent remission is brought about. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), busulfan is listed as a known carcinogen. [PubChem]","Classification":{"Description":"This compound belongs to the organic sulfites. These are organic compounds containing thesulfite oxoanion, with the formula [SO3]2−.","DirectParent":"Organic Sulfites","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Sulfites"},"Indication":"For use in combination with cyclophosphamide as a conditioning regimen prior to allogeneic hematopoietic progenitor cell transplantation for chronic myelogenous (myeloid, myelocytic, granulocytic) leukemia (FDA has designated busulfan as an orphan drug for this use). It is also used as a component of pretransplant conditioning regimens in patients undergoing bone marrow transplantation for acute myeloid leukemia and nonmalignant diseases.","Toxicity":"Signs of overdose include allergic reaction, unusual bleeding or bruising, sudden weakness or unusual fatigue, persistent cough, congestion, or shortness of breath; flank, stomach or joint pain; pronounced nausea, vomiting, diarrhea, dizziness, confusion, or darkening of the skin, chills, fever, collapse, and loss of consciousness.","MechanismOfAction":"Busulfan is an alkylating agent that contains 2 labile methanesulfonate groups attached to opposite ends of a 4-carbon alkyl chain. Once busulfan is hydrolyzed, the methanesulfonate groups are released and carbonium ions are produced. These carbonium ions alkylate DNA, which results in the interference of DNA replication and RNA transcription, ultimately leading to the disruption of nucleic acid function. Specifically, its mechanism of action through alkylation produces guanine-adenine intrastrand crosslinks. This occurs through an SN2 reaction in which the relatively nucleophilic guanine N7 attacks the carbon adjacent to the mesylate leaving group. This kind of damage cannot be repaired by cellular machinery and thus the cell undergoes apoptosis.","Pharmacodynamics":"Busulfan is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn leads to a miscoding of DNA. Alkylating agents are cell cycle-nonspecific and work by three different mechanisms, all of which achieve the same end result - disruption of DNA function and cell death. Overexpression of MGST2, a glutathione s-transferase, is thought to confer resistance to busulfan. The role of MGST2 in the metabolism of busulfan is unknown however. ","Absorption":"Completely absorbed from the gastrointestinal tract. Busulfan is a small, highly lipophilic molecule that crosses the blood-brain-barrier. The absolute bioavailability, if a single 2 mg IV bolus injection is given to adult patients, is 80% ± 20%. In children (1.5 - 6 years old), the absolute bioavailability was 68% ± 31%. When a single oral dose is given to patients, the area under the curve (AUC) was 130 ng•hr/mL. The peak plasma concentration when given orally is 30 ng/mL (after dose normalization to 2 mg). It takes 0.9 hours to reach peak plasma concentration after dose normalization to 4 mg. ","Interactions":[{"ID":"DB06769"},{"ID":"DB01167"},{"ID":"DB00916"},{"ID":"DB00976"},{"ID":"DB00352"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01009","Name":"Ketoprofen","DrugType":"small molecule","HalfLife":"Conventional capsules: 1.1-4 hours\r\n\u003cp\u003eExtended release capsules: 5.4 hours due to delayed absorption (intrinsic clearance is same as conventional capsules)\u003c/p\u003e","Description":"Ketoprofen, a propionic acid derivative, is a nonsteroidal anti-inflammatory agent (NSAIA) with analgesic and antipyretic properties. ","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"For symptomatic treatment of acute and chronic rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, primary dysmenorrhea and mild to moderate pain associated with musculotendinous trauma (sprains and strains), postoperative (including dental surgery) or postpartum pain.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=62.4 mg/kg (rat, oral). \r\n\u003cp\u003eSymptoms of overdose include drowsiness, vomiting and abdominal pain.\u003c/p\u003e\r\n\u003cp\u003eSide effects are usually mild and mainly involved the GI tract. Most common adverse GI effect is dyspepsia (11% of patients). May cause nausea, diarrhea, abdominal pain, constipation and flatulence in greater than 3% of patients.\u003c/p\u003e","MechanismOfAction":"The anti-inflammatory effects of ketoprofen are believed to be due to inhibition cylooxygenase-2 (COX-2), an enzyme involved in prostaglandin synthesis via the arachidonic acid pathway. This results in decreased levels of prostaglandins that mediate pain, fever and inflammation. Ketoprofen is a non-specific cyclooxygenase inhibitor and inhibition of COX-1 is thought to confer some of its side effects, such as GI upset and ulceration. Ketoprofen is thought to have anti-bradykinin activity, as well as lysosomal membrane-stabilizing action. Antipyretic effects may be due to action on the hypothalamus, resulting in an increased peripheral blood flow, vasodilation, and subsequent heat dissipation. ","Pharmacodynamics":"Ketoprofen is a nonsteroidal anti-inflammatory agent (NSAIA) with analgesic and antipyretic properties. Ketoprofen has pharmacologic actions similar to those of other prototypical NSAIDs, which inhibit prostaglandin synthesis. Ketoprofen is used to treat rheumatoid arthritis, osteoarthritis, dysmenorrhea, and alleviate moderate pain.","Absorption":"Ketoprofen is rapidly and well-absorbed orally, with peak plasma levels occurring within 0.5 to 2 hours.","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB01125"},{"ID":"DB08822"},{"ID":"DB00215"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB00055"},{"ID":"DB06210"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01381"},{"ID":"DB01404"},{"ID":"DB00465"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB00715"},{"ID":"DB00642"},{"ID":"DB00118"},{"ID":"DB01104"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00085","Drugs":["DB00142","DB00143","DB01009","DB01373","DB01593","DB04557"]}]},{"ID":"DB01010","Name":"Edrophonium","DrugType":"small molecule","HalfLife":"Distribution half-life is 7 to 12 minutes. Elimination half-life is 33 to 110 minutes.","Description":"A rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles. [PubChem]","Classification":{"Description":"This compound belongs to the aminophenols. These are organic compounds containing an amino group attached to a phenol.","DirectParent":"Aminophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the differential diagnosis of myasthenia gravis and as an adjunct in the evaluation of treatment requirements in this disease. It may also be used for evaluating emergency treatment in myasthenic crises.","Toxicity":"With drugs of this type, muscarine-like symptoms (nausea, vomiting, diarrhea, sweating, increased bronchial and salivary secretions and bradycardia) often appear with overdosage (cholinergic crisis).","MechanismOfAction":"Edrophonium works by prolonging the action acetylcholine, which is found naturally in the body. It does this by inhibiting the action of the enzyme acetylcholinesterase. Acetylcholine stimulates nicotinic and muscarinic receptors. When stimulated, these receptors have a range of effects.","Pharmacodynamics":"Edrophonium is a short and rapid-acting anticholinesterase drug. Its effect is manifest within 30 to 60 seconds after injection and lasts an average of 10 minutes. Edrophonium's pharmacologic action is due primarily to the inhibition or inactivation of acetylcholinesterase at sites of cholinergic transmission. Nicotinic acetylcholine (nAChR)receptors are found throughout the body, especially on muscle. Stimulation of these receptors causes to muscle contraction. In myasthenia gravis the body's immune system destroys many of the nicotinic acetylcholine receptors, so that the muscle becomes less responsive to nervous stimulation. Edrophonium chloride increases the amount of acetylcholine at the nerve endings. Increased levels of acetylcholine allow the remaining receptors to function more efficiently.","Absorption":"Rapidly absorbed.","Interactions":[{"ID":"DB00443"},{"ID":"DB01234"},{"ID":"DB00687"},{"ID":"DB00741"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00382"},{"ID":"DB00620"}],"Salts":[{"ID":"DBSALT000475","Name":"Edrophonium Chloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01011","Name":"Metyrapone","DrugType":"small molecule","HalfLife":"1.9 \u0026plusmn;0.7 hours.","Description":"An inhibitor of the enzyme steroid 11-beta-monooxygenase. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of cushing syndrome. [PubChem]","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"Used as a diagnostic drug for testing hypothalamic-pituitary ACTH function. Occasionally used in Cushing's syndrome.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is 521 mg/kg. One case has been recorded in which a 6-year-old girl died after two doses of Metopirone, 2 g. Symptoms of overdose include cardiac arrhythmias, hypotension, dehydration, anxiety, confusion, weakness, impairment of consciousness, nausea, vomiting, epigastric pain, and diarrhea.","MechanismOfAction":"The pharmacological effect of Metopirone is to reduce cortisol and corticosterone production by inhibiting the 11-\u0026szlig;-hydroxylation reaction in the adrenal cortex. Removal of the strong inhibitory feedback mechanism exerted by cortisol results in an increase in adrenocorticotropic hormone (ACTH) production by the pituitary. With continued blockade of the enzymatic steps leading to production of cortisol and corticosterone, there is a marked increase in adrenocortical secretion of their immediate precursors, 11-desoxycortisol and desoxycorticosterone, which are weak suppressors of ACTH release, and a corresponding elevation of these steroids in the plasma and of their metabolites in the urine. These metabolites are readily determined by measuring urinary 17-hydroxycorticosteroids (17-OHCS) or 17-ketogenic steroids (17-KGS). Because of these actions, metopirone is used as a diagnostic test, with urinary 17-OHCS measured as an index of pituitary ACTH responsiveness. Metopirone may also suppress biosynthesis of aldosterone, resulting in a mild natriuresis.","Pharmacodynamics":"Metopirone is an inhibitor of endogenous adrenal corticosteroid synthesis.","Absorption":"Absorbed rapidly and well when administered orally. Peak plasma concentrations are usually reached 1 hour after administration.","Interactions":[{"ID":"DB00434"},{"ID":"DB01320"},{"ID":"DB00252"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01012","Name":"Cinacalcet","DrugType":"small molecule","HalfLife":"Terminal half-life is 30 to 40 hours. The mean half-life of cinacalcet is prolonged by 33% and 70% in patients with moderate and severe hepatic impairment, respectively.","Description":"Cinacalcet (INN) is a drug that acts as a calcimimetic (i.e. it mimics the action of calcium on tissues) by allosteric activation of the calcium-sensing receptor that is expressed in various human organ tissues. It is sold by Amgen under the trade name Sensipar® in North America and Australia and as Mimpara® in Europe. Cinacalcet is used to treat hyperparathyroidism (elevated parathyroid hormone levels), a consequence of parathyroid tumors and chronic renal failure.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For the treatment of secondary hyperparathyroidism in patients with Chronic Kidney Disease who are on hemodialysis or peritoneal dialysis. Also for the treatment of hypercalcemia in patients with parathyroid carcinoma.","Toxicity":"Doses titrated up to 300 mg once daily have been safely administered to patients on dialysis. Overdosage of cinacalcet may lead to hypocalcemia.","MechanismOfAction":"The calcium-sensing receptors on the surface of the chief cell of the parathyroid gland is the principal regulator of parathyroid hormone secretion (PTH). Cinacalcet directly lowers parathyroid hormone levels by increasing the sensitivity of the calcium sensing receptors to activation by extracellular calcium, resulting in the inhibition of PTH secretion. The reduction in PTH is associated with a concomitant decrease in serum calcium levels.","Pharmacodynamics":"Cinacalcet is a drug that acts as a calcimimetic (i.e. it mimics the action of calcium on tissues). Secondary hyperparathyroidism (HPT) in patients with chronic kidney disease (CKD) is a progressive disease, associated with increases in parathyroid hormone (PTH) levels and derangements in calcium and phosphorus metabolism. Increased PTH stimulates osteoclastic activity resulting in cortical bone resorption and marrow fibrosis. The goals of treatment of secondary hyperparathyroidism are to lower levels of PTH, calcium, and phosphorus in the blood, in order to prevent progressive bone disease and the systemic consequences of disordered mineral metabolism. In CKD patients on dialysis with uncontrolled secondary HPT, reductions in PTH are associated with a favorable impact on bone-specific alkaline phosphatase (BALP), bone turnover and bone fibrosis. Cinacalcet reduces calcium levels by increasing the sensitivity of the calcium sensing receptor to extracellular calcium.","Absorption":"Rapidly absorbed following oral administration.","Interactions":[{"ID":"DB00199"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01013","Name":"Clobetasol propionate","DrugType":"small molecule","HalfLife":"","Description":"A derivative of prednisolone with high glucocorticoid activity and low mineralocorticoid activity. Absorbed through the skin faster than fluocinonide, it is used topically in treatment of psoriasis but may cause marked adrenocortical suppression. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For short-term topical treatment of the inflammatory and pruritic manifestations of moderate to severe corticosteroid-responsive dermatoses of the scalp.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat and mouse is \u003e3000 mg/kg. Topically applied clobetasol can be absorbed in sufficient amounts to produce systemic effects. Symptoms of overdose include thinning of skin and suppression of adrenal cortex (decreased ability to respond to stress).","MechanismOfAction":"The precise mechanism of the antiinflammatory activity of topical steroids in the treatment of steroid-responsive dermatoses, in general, is uncertain. However, corticosteroids are thought to act by the induction of phospholipase A\u003csub\u003e2\u003c/sub\u003e inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A\u003csub\u003e2\u003c/sub\u003e. Initially, however, clobetasol, like other corticosteroids, bind to the glucocorticoid receptor, which complexes, enteres the cell nucleus and modifies genetic transcription (transrepression/transactivation).","Pharmacodynamics":"Like other topical corticosteroids, clobetasol has anti-inflammatory, antipruritic, and vasoconstrictive properties. It is a very high potency topical corticosteroid that should not be used with occlusive dressings. It is recommended that treatment should be limited to 2 consecutive weeks and therapy should be discontinued when adequate results have been achieved.","Absorption":"Topical corticosteroids can be absorbed from intact healthy skin. The extent of percutaneous absorption of topical corticosteroids is determined by many factors, including the vehicle and the integrity of the epidermal barrier. Occlusion, inflammation and/or other disease processes in the skin may also increase percutaneous absorption.","Interactions":[{"ID":"DB00041"},{"ID":"DB05521"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01014","Name":"Balsalazide","DrugType":"small molecule","HalfLife":"Half-life could not be determined.","Description":"Balsalazide is an anti-inflammatory drug used in the treatment of Inflammatory Bowel Disease. It is sold under the name \"Colazal\" in the US and \"Colazide\" in the UK.\r\n\r\nThe chemical name is (E)-5-[[-4-(2-carboxyethyl) aminocarbonyl] phenyl]azo] -2-hydroxybenzoic acid. It is usually administered as the disodium salt.\r\n\r\nBalsalazide releases mesalazine, also known as 5-aminosalicylic acid, or 5-ASA, in the large intestine. Its advantage over that drug in the treatment of Ulcerative colitis is believed to be the delivery of the active agent past the small intestine to the large intestine, the active site of ulcerative colitis.","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of mildly to moderately active ulcerative colitis.","Toxicity":"A single oral dose of balsalazide disodium at 5 grams/kg or 4-aminobenzoyl-(beta)-alanine, a metabolite of balsalazide disodium, at 1 gram/kg was non-lethal in mice and rats. No symptoms of acute toxicity were seen at these doses.","MechanismOfAction":"The mechanism of action of 5-aminosalicylic acid is unknown, but appears exert its anti-inflammatory effects locally (in the GI tract) rather than systemically. Mucosal production of arachidonic acid metabolites, both through the cyclooxygenase pathways (catalyzes the formation of prostaglandin precursors from arachidonic acid), and through the lipoxygenase pathways (catalyzes the formation of leukotrienes and hydroxyeicosatetraenoic acids from arachidonic acid and its metabolites), is increased in patients with chronic inflammatory bowel disease. Therefore, it is possible that 5-aminosalicylic acid diminishes inflammation by blocking production of arachidonic acid metabolites in the colon through both the inhibition of cyclooxygenase and lipoxygenase.","Pharmacodynamics":"Balsalazide is a prodrug that has little or no pharmacologic activity until it is enzymatically cleaved in the colon to produce mesalamine (5-aminosalicylic acid), an anti inflammatory drug indicated for the treatment of mildly to moderately active ulcerative colitis. Balsalazide disodium is delivered intact to the colon where it is cleaved by bacterial azoreduction to release equimolar quantities of mesalamine, which is the therapeutically active portion of the molecule, and the intert 4-aminobenzoyl-(beta)-alanine. As a result, the spectrum of pharmacologic activity of balsalazide is similar to that of mesalamine.","Absorption":"Low and variable, intact balsalazide is poorly absorbed systemically.","Interactions":null,"Salts":[{"ID":"DBSALT000835","Name":"Balsalazide disodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01015","Name":"Sulfamethoxazole","DrugType":"small molecule","HalfLife":"10 hours","Description":"A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208)","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment bacterial infections causing bronchitis, prostatitis and urinary tract infections.","Toxicity":"Sulfamethoxazole may cause nausea, vomiting, diarrhea and hypersensitivity reactions. Hematologic effects such as anemia, agranulocytosis, thrombocytopenia and hemolytic anemia in patients with glucose-6-phosphate dehydrogenase deficiency may also occur. Sulfamethoxazole may displace bilirubin from albumin binding sites causing jaundice or kernicterus in newborns. ","MechanismOfAction":"Sulfonamides inhibit the enzymatic conversion of pteridine and p-aminobenzoic acid (PABA) to dihydropteroic acid by competing with PABA for binding to dihydrofolate synthetase, an intermediate of tetrahydrofolic acid (THF) synthesis. THF is required for the synthesis of purines and dTMP and inhibition of its synthesis inhibits bacterial growth. Pyrimethamine and trimethoprim inhibit dihydrofolate reductase, another step in THF synthesis, and therefore act synergistically with the sulfonamides.","Pharmacodynamics":"Sulfamethoxazole is a sulfonamide drug that inhibits bacterial synthesis of dihydrofolic acid by competing with para-aminobenzoic acid (PABA) for binding to dihydropteroate synthetase (dihydrofolate synthetase). Sulfamethoxazole is bacteriostatic in nature. Inhibition of dihydrofolic acid synthesis decreases the synthesis of bacterial nucleotides and DNA. Sulfamethoxazole is normally given in combination with Trimethoprim, a dihydrofolate reductase inhibitor, which inhibits the reduction of dihydrofolic acid to tetrahydrofolic acid. Studies have shown that bacterial resistance develops more slowly with the combination of the two drugs than with either Trimethoprim or Sulfamethoxazole alone.","Absorption":"Rapidly absorbed following oral administration. Also well-absorbed topically. ","Interactions":[{"ID":"DB00672"},{"ID":"DB00091"},{"ID":"DB00563"},{"ID":"DB06813"},{"ID":"DB00684"},{"ID":"DB01124"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01016","Name":"Glyburide","DrugType":"small molecule","HalfLife":"1.4-1.8 hours (unchanged drug only); 10 hours (metabolites included). Duration of effect is 12-24 hours. ","Description":"Glyburide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating \u0026beta; cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic \u0026beta; cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Glyburide has been shown to decrease fasting plasma glucose, postprandial blood glucose and glycosolated hemoglobin (HbA1c) levels (reflective of the last 8-10 weeks of glucose control). Glyburide appears to be completely metabolized, likely in the liver. Although its metabolites exert a small hypoglycemic effect, their contribution to glyburide's hypoglycemic effect is thought to be clinically unimportant. Glyburide metabolites are excreted in urine and feces in approximately equal proportions. The half-life of glyburide appears to be unaffected in those with a creatinine clearance of greater than 29 ml/min/1.73m\u003csup\u003e2\u003c/sup\u003e. ","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Indicated as an adjunct to diet to lower the blood glucose in patients with NIDDM whose hyperglycemia cannot be satisfactorily controlled by diet alone.","Toxicity":"Oral rat LD\u003csub\u003e50\u003c/sub\u003e: \u003e 20,000 mg/kg. Oral mouse LD\u003csub\u003e50\u003c/sub\u003e: 3250 mg/kg.","MechanismOfAction":"Sulfonylureas such as glyburide bind to ATP-sensitive potassium channels on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Depolarization stimulates calcium ion influx through voltage-sensitive calcium channels, raising intracellular concentrations of calcium ions, which induces the secretion, or exocytosis, of insulin.","Pharmacodynamics":"Glyburide, a second-generation sulfonylurea antidiabetic agent, lowers blood glucose acutely by stimulating the release of insulin from the pancreas, an effect dependent upon functioning beta cells in the pancreatic islets. With chronic administration in Type II diabetic patients, the blood glucose lowering effect persists despite a gradual decline in the insulin secretory response to the drug. Extrapancreatic effects may be involved in the mechanism of action of oral sulfonyl-urea hypoglycemic drugs. The combination of glibenclamide and metformin may have a synergistic effect, since both agents act to improve glucose tolerance by different but complementary mechanisms. In addition to its blood glucose lowering actions, glyburide produces a mild diuresis by enhancement of renal free water clearance. Glyburide is twice as potent as the related second-generation agent glipizide.","Absorption":"Significant absorption within 1 hour and peak plasma levels are reached in 2 to 4 hours. Onset of action occurs within one hour. ","Interactions":[{"ID":"DB01193"},{"ID":"DB00945"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB01294"},{"ID":"DB00612"},{"ID":"DB00559"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00446"},{"ID":"DB00636"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB01119"},{"ID":"DB00266"},{"ID":"DB00187"},{"ID":"DB01296"},{"ID":"DB00598"},{"ID":"DB01397"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00812"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00052"},{"ID":"DB00489"},{"ID":"DB00373"},{"ID":"DB01401"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00460","Drugs":["DB01016","DB01345","DB01373"]}]},{"ID":"DB01017","Name":"Minocycline","DrugType":"small molecule","HalfLife":"11-22 hours","Description":"A tetracycline analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant staphylococcus infections. [PubChem]","Classification":{"Description":"This compound belongs to the naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.","DirectParent":"Naphthacenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"For the treatment of infections caused by susceptible strains of microorganisms, such as Rocky Mountain spotted fever, typhus fever and the typhus group, Q fever, rickettsial pox and tick fevers caused by Rickettsiae, upper respiratory tract infections caused by \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e and for the treatment of asymptomatic carriers of \u003ci\u003eNeisseria meningitidis\u003c/i\u003e.","Toxicity":"Minocycline has been observed to cause a dark discoloration of the thyroid in experimental animals (rats, minipigs, dogs and monkeys). In the rat, chronic treatment with minocycline has resulted in goiter accompanied by elevated radioactive iodine uptake and evidence of thyroid tumor production. Minocycline has also been found to produce thyroid hyperplasia in rats and dogs. LD\u003csub\u003e50\u003c/sub\u003e=2380 mg/kg (rat, oral), LD\u003csub\u003e50\u003c/sub\u003e=3600 mg/kg (mouse, oral)","MechanismOfAction":"Minocycline passes directly through the lipid bilayer or passively diffuses through porin channels in the bacterial membrane. Tetracyclines like minocycline bind to the 30S ribosomal subunit, preventing the binding of tRNA to the mRNA-ribosome complex and interfering with protein synthesis.","Pharmacodynamics":"Minocycline, the most lipid soluble and most active tetracycline antibiotic, is, like doxycycline, a long-acting tetracycline. Minocycline's effects are related to the inhibition of protein synthesis. Although minocycline's broader spectrum of activity, compared to other members of the group, includes activity against \u003ci\u003eNeisseria meningitidis\u003c/i\u003e, its use as a prophylaxis is no longer recomended because of side effects (dizziness and vertigo). Current research is examining the possible neuroprotective effects of minocycline against progression of Huntington's Disease, an inherited neurodegenerative disorder. The neuroprotective action of minocycline may include its inhibitory effect on 5-lipoxygenase, an inflammatory enzyme associated with brain aging.","Absorption":"Rapidly absorbed from the gastrointestinal tract and absorption is not significantly impaired by ingestion of food or milk. Oral bioavailability is 100%.","Interactions":[{"ID":"DB01418"},{"ID":"DB00459"},{"ID":"DB01370"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB01125"},{"ID":"DB01574"},{"ID":"DB01061"},{"ID":"DB00355"},{"ID":"DB01602"},{"ID":"DB01053"},{"ID":"DB00307"},{"ID":"DB01294"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB00578"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00930"},{"ID":"DB01000"},{"ID":"DB00485"},{"ID":"DB00266"},{"ID":"DB00977"},{"ID":"DB00926"},{"ID":"DB00301"},{"ID":"DB00739"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB00982"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB01397"},{"ID":"DB01357"},{"ID":"DB02443"},{"ID":"DB01028"},{"ID":"DB00948"},{"ID":"DB00607"},{"ID":"DB00713"},{"ID":"DB00417"},{"ID":"DB00319"},{"ID":"DB01604"},{"ID":"DB01605"},{"ID":"DB01606"},{"ID":"DB01607"},{"ID":"DB00755"},{"ID":"DB01401"},{"ID":"DB00682"},{"ID":"DB01593"}],"Salts":[{"ID":"DBSALT000721","Name":"Minocycline Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00292","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01017","DB01972","DB02431","DB03685"]}]},{"ID":"DB01018","Name":"Guanfacine","DrugType":"small molecule","HalfLife":"17 hours (range 10-30 hours)","Description":"A centrally acting antihypertensive agent. The drug lowers both systolic and diastolic blood pressure by activating the central nervous system alpha-2 adrenoreceptors, which results in reduced sympathetic outflow leading to reduced vascular tone. Its adverse reactions include dry mouth, sedation, and constipation. [PubChem]","Classification":{"Description":"This compound belongs to the dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.","DirectParent":"Dichlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For use alone or in combination with other classes of antihypertensive agents in the management of hypertension. Has also been used for the treatment of attention deficit hyperactivity disorder (ADHD) in pediatric patients.","Toxicity":"Symptoms of overdose include drowsiness, lethargy, bradycardia and hypotension. LD\u003csub\u003e50\u003c/sub\u003e=165mg/kg (orally in mice)","MechanismOfAction":"Guanfacine selectively stimulates central alpha(2)-adrenergic receptors, resulting in inhibition of sympathetic vasomotor centers, which contributes predominantly to the hypotensive effects of the drug. Central effects of guanfacine lead to reduced peripheral sympathetic nerve impulses from the vasomotor center to the heart and blood vessels. This results in a decrease in peripheral vascular resistance and a reduction in heart rate. The stimulation of peripheral alpha(2)-adrenergic receptors may also contribute to hypotensive effects. ","Pharmacodynamics":"Guanfacine is a phenylacetyl-guanidine derivative hypotensive and a centrally-acting, alpha(2)-adrenergic receptor agonist used alone or in combination with other drugs for the treatment of hypertension.","Absorption":"Rapid and complete, with an oral bioavailability of approximately 80%.","Interactions":[{"ID":"DB06414"},{"ID":"DB00374"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT000509","Name":"Guanfacine Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01019","Name":"Bethanechol","DrugType":"small molecule","HalfLife":"","Description":"Bethanechol is a synthetic ester structurally and pharmacologically related to acetylcholine. A slowly hydrolyzed muscarinic agonist with no nicotinic effects, bethanechol is generally used to increase smooth muscle tone, as in the GI tract following abdominal surgery or in urinary retention in the absence of obstruction. It may cause hypotension, cardiac rate changes, and bronchial spasms. [PubChem]","Classification":{"Description":"This compound belongs to the cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.","DirectParent":"Cholines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Cholines"},"Indication":"For the treatment of acute postoperative and postpartum nonobstructive (functional) urinary retention and for neurogenic atony of the urinary bladder with retention.","Toxicity":"","MechanismOfAction":"Bethanechol directly stimulates cholinergic receptors in the parasympathetic nervous system while stimulating the ganglia to a lesser extent. Its effects are predominantly muscarinic, inducing little effect on nicotinic receptors and negligible effects on the cardiovascular system.","Pharmacodynamics":"Bethanechol is a parasympathomimetic (cholinergic) used for the treatment of acute postoperative and postpartum nonobstructive (functional) urinary retention and for neurogenic atony of the urinary bladder with retention. Bethanechol, a cholinergic agent, is a synthetic ester which is structurally and pharmacologically related to acetylcholine. It increases the tone of the detrusor urinae muscle, usually producing a contraction sufficiently strong to initiate micturition and empty the bladder. It stimulates gastric motility, increases gastric tone, and often restores impaired rhythmic peristalsis. Bethanechol chloride is not destroyed by cholinesterase and its effects are more prolonged than those of acetytcholine.","Absorption":"","Interactions":[{"ID":"DB00382"}],"Salts":[{"ID":"DBSALT000234","Name":"Bethanechol Chloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01020","Name":"Isosorbide Mononitrate","DrugType":"small molecule","HalfLife":"5 hours","Description":"Isosorbide mononitrate is a drug used principally in the treatment of angina pectoris[1] and acts by dilating the blood vessels so as to reduce the blood pressure. It is sold by AstraZeneca under the trade name Imdur.\r\n\r\nIsosorbide mononitrate is used to for the the prophylactic treatment of angina pectoris; that is, it is taken in order to prevent or at least reduce the occurrence of angina. Research on Isosorbide mononitrate as a cervical ripener to reduce time at hospital to birth is supportive.\r\n\r\nIsosorbide mononitrate is an active metabolite of isosorbide dinitrate and exerts qualitatively similar effects. Isosorbide mononitrate reduces the workload of the heart by producing venous and arterial dilation. By reducing the end diastolic pressure and volume, isosorbide mononitrate lowers intramural pressure, hence leading to an improvement in the subendocardial blood flow. The net effect when administering isosorbide mononitrate is therefore a reduced workload for the heart and an improvement in the oxygen supply/demand balance of the myocardium.\r\n\r\nThe adverse reactions which follow have been reported in studies with isosorbide mononitrate:\r\nVery common. Headache predominates (up to 30%) necessitating withdrawal of 2 to 3 % of patients, but the incidence reduces rapidly as treatment continues .\r\nCommon. Tiredness, sleep disturbances (6%) and gastrointestinal disturbances (6%) have been reported during clinical trials with isosorbide mononitrate modified release tablets, but at a frequency no greater than for placebo. Hypotension (4 to 5%), poor appetite (2.5%), nausea (1%).\r\nAdverse effects associated with the clinical use of the drug are as expected with all nitrate preparations. They occur mainly in the early stages of treatment.\r\nHypotension (4%) with symptoms such as dizziness and nausea (1%) have been reported. These symptoms generally disappear during long-term treatment.\r\nOther reactions that have been reported with isosorbide mononitrate modified release tablets include tachycardia, vomiting, diarrhoea, vertigo and heartburn\r\n","Classification":{"Description":"This compound belongs to the isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.","DirectParent":"Isosorbides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furofurans","SubClass":"Isosorbides"},"Indication":"For the prevention of angina pectoris due to coronary artery disease and the treatment of acute and chronic angina pectoris, hypertension, and myocardial infarction.","Toxicity":"Symptoms of overdose include vasodilatation, venous pooling, reduced cardiac output, and hypotension. There are no data suggesting what dose of isosorbide mononitrate is likely to be life-threatening in humans. In rats and mice, there is significant lethality at doses of 2000 mg/kg and 3000 mg/kg, respectively.","MechanismOfAction":"Similar to other nitrites and organic nitrates, Isosorbide Mononitrate is converted to nitric oxide (NO), an active intermediate compound which activates the enzyme guanylate cyclase (Atrial natriuretic peptide receptor A). This stimulates the synthesis of cyclic guanosine 3',5'-monophosphate (cGMP) which then activates a series of protein kinase-dependent phosphorylations in the smooth muscle cells, eventually resulting in the dephosphorylation of the myosin light chain of the smooth muscle fiber. The subsequent release of calcium ions results in the relaxation of the smooth muscle cells and vasodilation.","Pharmacodynamics":"Isosorbide-5-mononitrate, the long-acting metabolite of isosorbide dinitrate, is used as a vasodilatory agent in the management of angina pectoris. By dilating the vessels, it lowers the blood pressure and reduces the left ventricular preload and afterload, therefore, leads to a reduction of myocardial oxygen requirement.","Absorption":"100%","Interactions":[{"ID":"DB06237"},{"ID":"DB00320"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB00353"},{"ID":"DB00247"},{"ID":"DB00203"},{"ID":"DB00820"},{"ID":"DB00976"},{"ID":"DB00374"},{"ID":"DB06267"},{"ID":"DB00862"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01021","Name":"Trichlormethiazide","DrugType":"small molecule","HalfLife":"","Description":"A thiazide diuretic with properties similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830)","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"Used in the treatment of oedema (including that associated with heart failure) and hypertension.","Toxicity":"Oral Rat LD\u003csub\u003e50\u003c/sub\u003e = 5600 mg/kg, oral Mouse LD\u003csub\u003e50\u003c/sub\u003e = 2600 mg/kg","MechanismOfAction":"Trichlormethiazide appears to block the active reabsorption of chloride and possibly sodium in the ascending loop of Henle, altering electrolyte transfer in the proximal tubule. This results in excretion of sodium, chloride, and water and, hence, diuresis. As a diuretic, Trichloromethiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like Trichloromethiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of Trichloromethiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle.","Pharmacodynamics":"Trichloromethiazide is indicated as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. Trichloromethiazide has also been found useful in edema due to various forms of renal dysfunction such as nephrotic syndrome, acute glomer-ulonephritis, and chronic renal failure. Trichloromethiazide is also indicated in the management of hypertension either as the sole therapeutic agent or to enhance the effectiveness of other antihypertensive drugs in the more severe forms of hypertension. Like other thiazides, Trichloromethiazide promotes water loss from the body (diuretics). They inhibit Na\u003csup\u003e+\u003c/sup\u003e/Cl\u003csup\u003e-\u003c/sup\u003e reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue.","Absorption":"","Interactions":[{"ID":"DB01143"},{"ID":"DB01432"},{"ID":"DB00930"},{"ID":"DB00375"},{"ID":"DB00390"},{"ID":"DB00204"},{"ID":"DB01356"},{"ID":"DB00073"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00121","Drugs":["DB00151","DB01021","DB01345","DB03904"]}]},{"ID":"DB01022","Name":"Phylloquinone","DrugType":"small molecule","HalfLife":"","Description":"Phylloquinone is often called vitamin K1. It is a fat-soluble vitamin that is stable to air and moisture but decomposes in sunlight. It is found naturally in a wide variety of green plants. Phylloquinone is also an antidote for coumatetralyl. Vitamin K is needed for the posttranslational modification of certain proteins, mostly required for blood coagulation.","Classification":{"Description":"This compound belongs to the vitamin k compounds. These are compounds\tquinone lipids containing a methylated naphthoquinone ring structure, and vary in the aliphatic side chain attached at the 3-position.","DirectParent":"Vitamin K Compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Quinone and Hydroquinone Lipids"},"Indication":"For the treatment of haemorrhagic conditions in infants, antidote for coumarin anticoagulants in hypoprothrombinaemia.","Toxicity":"The intravenous LD\u003csub\u003e50\u003c/sub\u003e of phylloquinone in the mouse is 41.5 and 52 mL/kg for the 0.2% and 1% concentrations, respectively.","MechanismOfAction":"Vitamin K is an essential cofactor for the gamma-carboxylase enzymes which catalyze the posttranslational gamma-carboxylation of glutamic acid residues in inactive hepatic precursors of coagulation factors II (prothrombin), VII, IX and X. Gamma-carboxylation converts these inactive precursors into active coagulation factors which are secreted by hepatocytes into the blood. Supplementing with Phylloquinone results in a relief of vitamin K deficiency symptoms which include easy bruisability, epistaxis, gastrointestinal bleeding, menorrhagia and hematuria.","Pharmacodynamics":"Phylloquinone is a vitamin, indicated in the treatment of coagulation disorders which are due to faulty formation of factors II, VII, IX and X when caused by vitamin K deficiency or interference with vitamin K activity. Phylloquinone aqueous colloidal solution of vitamin K1 for parenteral injection, possesses the same type and degree of activity as does naturally-occurring vitamin K, which is necessary for the production via the liver of active prothrombin (factor II), proconvertin (factor VII), plasma thromboplastin component (factor IX), and Stuart factor (factor X).","Absorption":"Oral phylloquinone is adequately absorbed from the gastrointestinal tract only if bile salts are present. After absorption, phylloquinone is initially concentrated in the liver, but the concentration declines rapidly. Very little vitamin K accumulates in tissues.","Interactions":[{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00464","Drugs":["DB01022","DB03766"]}]},{"ID":"DB01023","Name":"Felodipine","DrugType":"small molecule","HalfLife":"17.5-31.5 hours in hypertensive patients; 19.1-35.9 hours in elderly hypertensive patients; 8.5-19.7 in healthy volunteers.","Description":"Felodipine is a long-acting 1,4-dihydropyridine calcium channel blocker (CCB)b. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, felodipine prevents calcium-dependent myocyte contraction and vasoconstriction. Felodipine is the most potent CCB in use and is unique in that it exhibits fluorescent activity. In addition to binding to L-type calcium channels, felodipine binds to a number of calcium-binding proteins, exhibits competitive antagonism of the mineralcorticoid receptor, inhibits the activity of calmodulin-dependent cyclic nucleotide phosphodiesterase, and blocks calcium influx through voltage-gated T-type calcium channels. Felodipine is used to treat mild to moderate essential hypertension. ","Classification":{"Description":"This compound belongs to the dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.","DirectParent":"Dihydropyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"For the treatment of mild to moderate essential hypertension. ","Toxicity":"Symptoms of overdose include excessive peripheral vasodilation with marked hypotension and possibly bradycardia. Oral rat LD\u003csub\u003e50\u003c/sub\u003e is 1050 mg/kg.\r\n","MechanismOfAction":"Felodipine decreases arterial smooth muscle contractility and subsequent vasoconstriction by inhibiting the influx of calcium ions through voltage-gated L-type calcium channels. It reversibly competes against nitrendipine and other DHP CCBs for DHP binding sites in vascular smooth muscle and cultured rabbit atrial cells. Calcium ions entering the cell through these channels bind to calmodulin. Calcium-bound calmodulin then binds to and activates myosin light chain kinase (MLCK). Activated MLCK catalyzes the phosphorylation of the regulatory light chain subunit of myosin, a key step in muscle contraction. Signal amplification is achieved by calcium-induced calcium release from the sarcoplasmic reticulum through ryanodine receptors. Inhibition of the initial influx of calcium decreases the contractile activity of arterial smooth muscle cells and results in vasodilation. The vasodilatory effects of felodipine result in an overall decrease in blood pressure. Felodipine may be used to treat mild to moderate essential hypertension.","Pharmacodynamics":"Felodipine belongs to the dihydropyridine (DHP) class of calcium channel blockers (CCBs), the most widely used class of CCBs. There are at least five different types of calcium channels in Homo sapiens: L-, N-, P/Q-, R- and T-type. It was widely accepted that CCBs target L-type calcium channels, the major channel in muscle cells that mediates contraction; however, some studies have shown that felodipine also binds to and inhibits T-type calcium channels. T-type calcium channels are most commonly found on neurons, cells with pacemaker activity and on osteocytes. The pharmacologic significance of T-type calcium channel blockade is unknown. Felodipine also binds to calmodulin and inhibits calmodulin-dependent calcium release from the sarcoplasmic reticulum. The effect of this interaction appears to be minor. Another study demonstrated that felodipine attenuates the activity of calmodulin-dependent cyclic nucleotide phosphodiesterase (CaMPDE) by binding to the PDE-1B1 and PDE-1A2 enzyme subunits. CaMPDE is one of the key enzymes involved in cyclic nucleotides and calcium second messenger systems. Felodipine also acts as an antagonist to the mineralcorticoid receptor by competing with aldosterone for binding and blocking aldosterone-induced coactivator recruitment of the mineralcorticoid receptor. Felodipine is able to bind to skeletal and cardiac muscle isoforms of troponin C, one of the key regulatory proteins in muscle contraction. Though felodipine exhibits binding to many endogenous molecules, its vasodilatory effects are still thought to be brought about primarily through inhibition of voltage-gated L-type calcium channels. Similar to other DHP CCBs, felodipine binds directly to inactive calcium channels stabilizing their inactive conformation. Since arterial smooth muscle depolarizations are longer in duration than cardiac muscle depolarizations, inactive channels are more prevalent in smooth muscle cells. Alternative splicing of the alpha-1 subunit of the channel gives felodipine additional arterial selectivity. At therapeutic sub-toxic concentrations, felodipine has little effect on cardiac myocytes and conduction cells.","Absorption":"Is completely absorbed from the gastrointestinal tract; however, extensive first-pass metabolism through the portal circulation results in a low systemic availability of 15%. Bioavailability is unaffected by food. ","Interactions":[{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB01341"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00220"},{"ID":"DB00776"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00418"},{"ID":"DB00864"},{"ID":"DB00306"},{"ID":"DB00976"},{"ID":"DB00599"},{"ID":"DB00932"},{"ID":"DB00374"},{"ID":"DB00755"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00619","Drugs":["DB01023"]},{"ID":"SMP00377","Drugs":["DB01023","DB01345","DB01373"]}]},{"ID":"DB01024","Name":"Mycophenolic acid","DrugType":"small molecule","HalfLife":"The mean elimination half-life for mycophenolic acid ranges from 8-16 hours, while that of the MPAG metabolite ranges from 13-17 hours.","Description":"Mycophenolic acid is an an immunosuppresant drug and potent anti-proliferative, and can be used in place of the older anti-proliferative azathioprine. It is usually used as part of triple therapy including a calcineurin inhibitor (ciclosporin or tacrolimus) and prednisolone. It is also useful in research for the selection of animal cells that express the E. coli gene coding for XGPRT (xanthine guanine phosphoribosyltransferase).","Classification":{"Description":"This compound belongs to the phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.","DirectParent":"Phthalides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Benzofuranones"},"Indication":"For the prophylaxis of organ rejection in patients receiving allogeneic renal transplants, administered in combination with cyclosporine and corticosteroids.","Toxicity":"Oral (LD50): Acute: 352 mg/kg [Rat], 1000 mg/kg [Mouse], and \u0026gt;6000 mg/kg [Rabbit]. Possible signs and symptoms of acute overdose could include the following: hematological abnormalities such as leukopenia and neutropenia, and gastrointestinal symptoms such as abdominal pain, diarrhea, nausea and vomiting, and dyspepsia.","MechanismOfAction":"Mycophenolic acid is a potent, selective, uncompetitive, and reversible inhibitor of inosine monophosphate dehydrogenase (IMPDH), and therefore inhibits the de novo pathway of guanosine nucleotide synthesis without incorporation into DNA. Because T- and B-lymphocytes are critically dependent for their proliferation on de novo synthesis of purines, whereas other cell types can utilize salvage pathways, mycophenolic acid has potent cytostatic effects on lymphocytes. Mycophenolic acid inhibits proliferative responses of T- and B-lymphocytes to both mitogenic and allospecific stimulation. Addition of guanosine or deoxyguanosine reverses the cytostatic effects of mycophenolic acid on lymphocytes. Mycophenolic acid also suppresses antibody formation by B-lymphocytes. Mycophenolic acid prevents the glycosylation of lymphocyte and monocyte glycoproteins that are involved in intercellular adhesion to endothelial cells and may inhibit recruitment of leukocytes into sites of inflammation and graft rejection.","Pharmacodynamics":"Mycophenolic acid is an antibiotic substance derived from \u003ci\u003ePenicillium stoloniferum\u003c/i\u003e. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase. Mycophenolic acid is important because of its selective effects on the immune system. It prevents the proliferation of T-cells, lymphocytes, and the formation of antibodies from B-cells. It also may inhibit recruitment of leukocytes to inflammatory sites.","Absorption":"Bioavailability following oral administration of Myfortic delayed-release tablet ranges from 70-95%","Interactions":[{"ID":"DB00072"},{"ID":"DB01610"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00652","Drugs":["DB00688","DB01024","DB01345","DB03435"]}]},{"ID":"DB01025","Name":"Amlexanox","DrugType":"small molecule","HalfLife":"Elimination half-life is 3.5 \u0026plusmn; 1.1 hours.","Description":"Amlexanox is an antiallergic drug, clinically effective for atopic diseases, especially allergic asthma and rhinitis. Amlexanox as a topical paste is a well tolerated treatment of recurrent aphthous ulcers. Recurrent aphthous ulcer (RAU) is the most prevalent oral mucosal disease in humans, estimated to affect between 5% and 50% of the general population.","Classification":{"Description":"This compound belongs to the chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene moiety.","DirectParent":"Chromenopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Chromenopyridines"},"Indication":"Used as a paste in the mouth to treat aphthous ulcers (canker sores). ","Toxicity":"","MechanismOfAction":"As a benzopyrano-bipyridine carboxylic acid derivative, amlexanox has anti-inflammatory and antiallergic properties. It inhibits chemical mediatory release of the slow-reacting substance of anaphylaxis (SRS-A) and may have antagonistic effects on interleukin-3. When cells are under stress, they release an inactive form of human fibroblast growth factor 1 (FGF-1), a potent mitogen (entity that causes mitosis). Amlexanox binds to FGF1, increasing its conformational stability, sterically blocking Cu(2+) induced oxidation which normally leads to activation of FGF-1. ","Pharmacodynamics":"Amlexanox is a mucoadhesive oral paste which has been clinically proven to abort the onset, accelerate healing and resolve the pain of aphthous ulcers (canker sores). It decreases the time ulcers take to heal. Because amlexanox decreases the healing time, it also decreases the pain you feel. Recent studies have also shown that the majority of ulcers can be prevented by application of the paste during the prodromal (pre-ulcerative) phase of the disease. Recurrent Aphthous Ulcers (RAU) also known as Recurrent Aphthous Stomatitis (RAS) is recognized as the most common oral mucosal disease known to man. Estimates suggest that 20% - 25% of the general population suffer at least one incidence of aphthous ulcers each year. Amlexanox is also being investigated for its anti-allergenic and anti-inflammatory properties.","Absorption":"No significant absorption directly through the active ulcer. Most of the systemic absorption is via the gastrointestinal tract.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01026","Name":"Ketoconazole","DrugType":"small molecule","HalfLife":"2 hours","Description":"Broad spectrum antifungal agent used for long periods at high doses, especially in immunosuppressed patients. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"For the treatment of the following systemic fungal infections: candidiasis, chronic mucocutaneous candidiasis, oral thrush, candiduria, blastomycosis, coccidioidomycosis, histoplasmosis, chromomycosis, and paracoccidioidomycosis.","Toxicity":"Hepatotoxicity, LD\u003csub\u003e50\u003c/sub\u003e=86 mg/kg (orally in rat)","MechanismOfAction":"Ketoconazole interacts with 14-\u0026alpha; demethylase, a cytochrome P-450 enzyme necessary for the conversion of lanosterol to ergosterol. This results in inhibition of ergosterol synthesis and increased fungal cellular permeability. Other mechanisms may involve the inhibition of endogenous respiration, interaction with membrane phospholipids, inhibition of yeast transformation to mycelial forms, inhibition of purine uptake, and impairment of triglyceride and/or phospholipid biosynthesis. Ketoconazole can also inhibit the synthesis of thromboxane and sterols such as aldosterone, cortisol, and testosterone.","Pharmacodynamics":"Ketoconazole, like clotrimazole, fluconazole, itraconazole, and miconazole, is an imidazole antifungal agent.","Absorption":"Moderate","Interactions":[{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB00802"},{"ID":"DB00346"},{"ID":"DB09026"},{"ID":"DB00918"},{"ID":"DB00404"},{"ID":"DB01370"},{"ID":"DB00321"},{"ID":"DB01125"},{"ID":"DB06605"},{"ID":"DB00673"},{"ID":"DB01238"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB06237"},{"ID":"DB08903"},{"ID":"DB00559"},{"ID":"DB06616"},{"ID":"DB01558"},{"ID":"DB01222"},{"ID":"DB06772"},{"ID":"DB01373"},{"ID":"DB00564"},{"ID":"DB00439"},{"ID":"DB00475"},{"ID":"DB01410"},{"ID":"DB01166"},{"ID":"DB00501"},{"ID":"DB01012"},{"ID":"DB00604"},{"ID":"DB00349"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00872"},{"ID":"DB08865"},{"ID":"DB00091"},{"ID":"DB06695"},{"ID":"DB08912"},{"ID":"DB01219"},{"ID":"DB00496"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB00320"},{"ID":"DB01248"},{"ID":"DB00204"},{"ID":"DB04855"},{"ID":"DB00216"},{"ID":"DB00700"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB00736"},{"ID":"DB01215"},{"ID":"DB00977"},{"ID":"DB06414"},{"ID":"DB01590"},{"ID":"DB00927"},{"ID":"DB00813"},{"ID":"DB06702"},{"ID":"DB08868"},{"ID":"DB00690"},{"ID":"DB08906"},{"ID":"DB00674"},{"ID":"DB00317"},{"ID":"DB00222"},{"ID":"DB00801"},{"ID":"DB00502"},{"ID":"DB04946"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB05039"},{"ID":"DB00224"},{"ID":"DB00762"},{"ID":"DB00951"},{"ID":"DB08820"},{"ID":"DB00448"},{"ID":"DB08918"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB01377"},{"ID":"DB01357"},{"ID":"DB00959"},{"ID":"DB00683"},{"ID":"DB08893"},{"ID":"DB00238"},{"ID":"DB00585"},{"ID":"DB00540"},{"ID":"DB00338"},{"ID":"DB04938"},{"ID":"DB00213"},{"ID":"DB06589"},{"ID":"DB01100"},{"ID":"DB01132"},{"ID":"DB08910"},{"ID":"DB08901"},{"ID":"DB06209"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01589"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01129"},{"ID":"DB00980"},{"ID":"DB00863"},{"ID":"DB00243"},{"ID":"DB08896"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB06228"},{"ID":"DB01656"},{"ID":"DB00412"},{"ID":"DB08877"},{"ID":"DB01232"},{"ID":"DB06335"},{"ID":"DB01105"},{"ID":"DB00203"},{"ID":"DB06207"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB01591"},{"ID":"DB00364"},{"ID":"DB01268"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB01623"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB00697"},{"ID":"DB01124"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB01030"},{"ID":"DB00214"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB08867"},{"ID":"DB00580"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB06684"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"},{"ID":"DB00246"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01028","Name":"Methoxyflurane","DrugType":"small molecule","HalfLife":"","Description":"An inhalation anesthetic. Currently, methoxyflurane is rarely used for surgical, obstetric, or dental anesthesia. If so employed, it should be administered with nitrous oxide to achieve a relatively light level of anesthesia, and a neuromuscular blocking agent given concurrently to obtain the desired degree of muscular relaxation. (From AMA Drug Evaluations Annual, 1994, p180)","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For use in the induction and maintenance of general anesthesia","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=3600 mg/kg (Orally in rats). Symptoms of overexposure include eye irritation, CNS depression, analgesia, anesthesia, seizures, respiratory depression, and liver and kidney damage.","MechanismOfAction":"Methoxyflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Methoxyflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase. Methoxyflurane also binds to the GABA receptor, the large conductance Ca\u003csup\u003e2+\u003c/sup\u003e activated potassium channel, the glutamate receptor and the glycine receptor.","Pharmacodynamics":"Methoxyflurane is a general inhalation anesthetic used for induction and maintenance of general anesthesia. It induces muscle relaxation and reduces pains sensitivity by altering tissue excitability. It does so by decreasing the extent of gap junction mediated cell-cell coupling and altering the activity of the channels that underlie the action potential.","Absorption":"","Interactions":[{"ID":"DB00618"},{"ID":"DB01017"},{"ID":"DB01174"},{"ID":"DB00794"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01029","Name":"Irbesartan","DrugType":"small molecule","HalfLife":"11-15 hours","Description":"Irbesartan is an angiotensin receptor blocker (ARB) used mainly for the treatment of hypertension. It competes with angiotensin II for binding at the AT1 receptor subtype. Unlike ACE inhibitors, ARBs do not have the adverse effect of dry cough. The use of ARBs is pending revision due to findings from several clinical trials suggesting that this class of drugs may be associated with a small increased risk of cancer.","Classification":{"Description":"This compound belongs to the biphenyltetrazoles and derivatives. These are organic compounds containing a biphenyl attached to a tetrazole. A carbon atom of the biphenyl moiety is boned to a carbon or the nitrogen atom of the tetrazole moiety.","DirectParent":"Biphenyltetrazoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"For the treatment of hypertension, as well as diabetic nephropathy with an elevated serum creatinine and proteinuria (\u0026gt;300 mg/day) in patients with type 2 diabetes and hypertension. Irbesartan is also used as a second line agent in the treatment of congestive heart failure.","Toxicity":"Hypotension and tachycardia; bradycardia might also occur from overdose, LD\u003csub\u003e50\u003c/sub\u003e=mg/kg(orally in rat)","MechanismOfAction":"Irbesartan is a nonpeptide tetrazole derivative and an angiotensin II antagonist that selectively blocks the binding of angiotensin II to the AT\u003csub\u003e1\u003c/sub\u003e receptor. In the renin-angiotensin system, angiotensin I is converted by angiotensin-converting enzyme (ACE) to form angiotensin II. Angiotensin II stimulates the adrenal cortex to synthesize and secrete aldosterone, which decreases the excretion of sodium and increases the excretion of potassium. Angiotensin II also acts as a vasoconstrictor in vascular smooth muscle. Irbesartan, by blocking the binding of angiotensin II to the AT\u003csub\u003e1\u003c/sub\u003e receptor, promotes vasodilation and decreases the effects of aldosterone. The negative feedback regulation of angiotensin II on renin secretion is also inhibited, but the resulting rise in plasma renin concentrations and consequent rise in angiotensin II plasma concentrations do not counteract the blood pressure\u0026ndash;lowering effect that occurs. The action of ARBs is different from ACE inhibitors, which block the conversion of angiotensin I to angiotensin II, meaning that the production of angiotensin II is not completely inhibited, as the hormone can be formed via other enzymes. Also, unlike ACE inhibitors, irbesartan and other ARBs do not interfere with response to bradykinins and substance P, which allows for the absence of adverse effects that are present in ACE inhibitors (eg. dry cough).","Pharmacodynamics":"Angiotensin II, the principal pressor agent of the renin-angiotensin system, is responsible for effects such as vasoconstriction, stimulation of synthesis and release of aldosterone, cardiac stimulation, and renal reabsorption of sodium. Irbesartan is a specific competitive antagonist of AT\u003csub\u003e1\u003c/sub\u003e receptors with a much greater affinity (more than 8500-fold) for the AT\u003csub\u003e1\u003c/sub\u003e receptor than for the AT\u003csub\u003e2\u003c/sub\u003e receptor and no agonist activity. Irbesartan's inhibition of angiotensin II binding to the AT1 receptor leads to multiple effects including vasodilation, a reduction in the secretion of vasopressin, and reduction in the production and secretion of aldosterone. The resulting effect is a decrease in blood pressure.","Absorption":"Rapid and complete with an average absolute bioavailability of 60-80%. Food has no affect on bioavailability.","Interactions":[{"ID":"DB00594"},{"ID":"DB01395"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00684"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00755"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00161","Drugs":["DB01029","DB01593"]}]},{"ID":"DB01030","Name":"Topotecan","DrugType":"small molecule","HalfLife":"2-3 hours","Description":"An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA topoisomerases, type I. [PubChem]","Classification":{"Description":"This compound belongs to the camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).","DirectParent":"Camptothecins","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Camptothecins","SubClass":""},"Indication":"For the treatment of advanced ovarian cancer in patients with disease that has recurred or progressed following therapy with platinum-based regimens. Also used as a second-line therapy for treatment-sensitive small cell lung cancer, as well as in combination with cisplatin for the treatment of stage IV-B, recurrent, or persistent cervical cancer not amenable to curative treatment with surgery and/or radiation therapy.","Toxicity":"The primary anticipated complication of overdosage would consist of bone marrow suppression.","MechanismOfAction":"Topotecan has the same mechanism of action as irinotecan and is believed to exert its cytotoxic effects during the S-phase of DNA synthesis. Topoisomerase I relieves torsional strain in DNA by inducing reversible single strand breaks. Topotecan binds to the topoisomerase I-DNA complex and prevents religation of these single strand breaks. This ternary complex interferes with the moving replication fork, which leads to the induction of replication arrest and lethal double-stranded breaks in DNA. As mammalian cells cannot efficiently repair these double strand breaks, the formation of this ternary complex eventually leads to apoptosis (programmed cell death).\r\n\r\nTopotecan mimics a DNA base pair and binds at the site of DNA cleavage by intercalating between the upstream (−1) and downstream (+1) base pairs. Intercalation displaces the downstream DNA, thus preventing religation of the cleaved strand. By specifically binding to the enzyme–substrate complex, Topotecan acts as an uncompetitive inhibitor.","Pharmacodynamics":"Topotecan, a semi-synthetic derivative of camptothecin (a plant alkaloid obtained from the \u003ci\u003eCamptotheca acuminata\u003c/i\u003e tree), is an anti-tumor drug with topoisomerase I-inhibitory activity similar to irinotecan. DNA topoisomerases are enzymes in the cell nucleus that regulate DNA topology (3-dimensional conformation) and facilitate nuclear processes such as DNA replication, recombination, and repair. During these processes, DNA topoisomerase I creates reversible single-stranded breaks in double-stranded DNA, allowing intact single DNA strands to pass through the break and relieve the topologic constraints inherent in supercoiled DNA. The 3'-DNA terminus of the broken DNA strand binds covalently with the topoisomerase enzyme to form a catalytic intermediate called a cleavable complex. After DNA is sufficiently relaxed and the strand passage reaction is complete, DNA topoisomerase reattaches the broken DNA strands to form the unaltered topoisomers that allow transcription to proceed. Topotecan interferes with the growth of cancer cells, which are eventually destroyed. Since the growth of normal cells can be affected by the medicine, other effects may also occur. Unlike irinotecan, topotecan is found predominantly in the inactive carboxylate form at neutral pH and it is not a prodrug.","Absorption":"","Interactions":[{"ID":"DB01118"},{"ID":"DB01076"},{"ID":"DB00958"},{"ID":"DB01136"},{"ID":"DB00515"},{"ID":"DB01211"},{"ID":"DB00091"},{"ID":"DB01264"},{"ID":"DB00975"},{"ID":"DB00199"},{"ID":"DB00099"},{"ID":"DB00317"},{"ID":"DB00619"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB01601"},{"ID":"DB00358"},{"ID":"DB00108"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB04868"},{"ID":"DB00526"},{"ID":"DB00213"},{"ID":"DB00396"},{"ID":"DB00571"},{"ID":"DB00908"},{"ID":"DB00243"},{"ID":"DB00206"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00072"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT000322","Name":"Topotecan Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01031","Name":"Ethinamate","DrugType":"small molecule","HalfLife":"2.5 hours","Description":"Ethinamate is a short-acting sedative-hypnotic medication used to treat insomnia. Regular use leads to tolerance, and it is usually not effective for more than 7 days. Structurally, it does not resemble the barbituates, but it shares many effects with this class of drugs; the depressant effects of ethinamate are, however, generally milder than those of most barbiturates.","Classification":{"Description":"This compound belongs to the ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' ≠ H).","DirectParent":"Ynones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"Used for the short-term treatment of insomnia, however, it generally has been replaced by other sedative-hypnotic agents.","Toxicity":"Symptoms of overdose include shortness of breath or slow or troubled breathing, slow heartbeat, severe weakness, chronic confusion, slurred speech, and staggering.","MechanismOfAction":"The mechanism of action is not known. However, studies have shown that ethinamate inhibits carbonic anhydrases I and II (J Biol Chem. 1992 Dec 15;267(35):25044-50). This inhibition by ethinamate is not sufficiently strong, however, to implicate carbonic anhydrases I and II in the mechanism of action.","Pharmacodynamics":"Ethinamate is used to treat insomnia (trouble in sleeping). However, it has generally been replaced by other medicines for the treatment of insomnia. If ethinamate is used regularly (for example, every day) to help produce sleep, it is usually not effective for more than 7 days. Structurally, it does not resemble the barbiturates, but it shares many effects with this class of drugs; the depressant effects of ethinamate are, however, generally milder than those of most barbiturates. Continued and inappropriate use of ethinamate can lead to tolerance and physical dependence, with withdrawal symptoms very similar to those of the barbiturates.","Absorption":"Rapidly absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB01032","Name":"Probenecid","DrugType":"small molecule","HalfLife":"6-12 hours","Description":"The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy. [PubChem]","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the reduction of serum uric acid concentrations in chronic gouty arthritis and tophaceous gout in patients with frequent disabling gout attacks. Has also been effectively used to promote uric acid excretion in hyperuricemia secondary to the administration of thiazide and related diuretics. ","Toxicity":"","MechanismOfAction":"Probenecid inhibits the tubular reabsorption of urate, thus increasing the urinary excretion of uric acid and decreasing serum urate levels. Probenecid may also reduce plasma binding of urate and inhibit renal secretion of uric acid at subtherapeutic concentrations. The mechanism by which probenecid inhibits renal tubular transport is not known, but the drug may inhibit transport enzymes that require a source of high energy phosphate bonds and/or nonspecifically interfere with substrate access to protein receptor sites on the kidney tubules.","Pharmacodynamics":"Probenecid is a uricosuric and renal tubular blocking agent and is used in combination with colchicine to treat chronic gouty arthritis when complicated by frequent, recurrent acute attacks of gout. It inhibits the reabsorption of urate at the proximal convoluted tubule, thus increasing the urinary excretion of uric acid and decreasing serum urate levels. Effective uricosuria reduces the miscible urate pool, retards urate deposition, and promotes resorption of urate deposits. At the proximal and distal tubles, probenecid competitively inhibits the secretion of many weak organic acids including penicillins, most cephalosporins, and some other β-lactam antibiotics. This results in an increase in the plasma concentrations of acidic drugs eliminated principally by renal secretion, but only a slight increase if the drug is eliminated mainly by filtration. Thus, the drug can be used for therapeutic advantages to increase concentrations of certain β-lactam antibiotics in the treatment of gonorrhea, neurosyphilis, or pelvic inflammatory disease (PID).","Absorption":"","Interactions":[{"ID":"DB00945"},{"ID":"DB01294"},{"ID":"DB00833"},{"ID":"DB01140"},{"ID":"DB01326"},{"ID":"DB01327"},{"ID":"DB01413"},{"ID":"DB00671"},{"ID":"DB00274"},{"ID":"DB01328"},{"ID":"DB00493"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB01150"},{"ID":"DB01333"},{"ID":"DB01332"},{"ID":"DB01112"},{"ID":"DB00567"},{"ID":"DB00689"},{"ID":"DB03450"},{"ID":"DB00861"},{"ID":"DB01004"},{"ID":"DB08909"},{"ID":"DB00328"},{"ID":"DB00465"},{"ID":"DB00447"},{"ID":"DB01397"},{"ID":"DB00563"},{"ID":"DB02588"},{"ID":"DB06813"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB06207"},{"ID":"DB06204"},{"ID":"DB01401"},{"ID":"DB01610"},{"ID":"DB00495"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01033","Name":"Mercaptopurine","DrugType":"small molecule","HalfLife":"Triphasic: 45 minutes, 2.5 hours, and 10 hours.","Description":"An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia. [PubChem]","Classification":{"Description":"This compound belongs to the purinethiones. These are purines in which the purine moiety bears a thioketone.","DirectParent":"Purinethiones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"For remission induction and maintenance therapy of acute lymphatic leukemia.","Toxicity":"Signs and symptoms of overdosage may be immediate such as anorexia, nausea, vomiting, and diarrhea; or delayed such as myelosuppression, liver dysfunction, and gastroenteritis. The oral LD\u003csub\u003e50\u003c/sub\u003e of mercaptopurine was determined to be 480 mg/kg in the mouse and 425 mg/kg in the rat.","MechanismOfAction":"Mercaptopurine competes with hypoxanthine and guanine for the enzyme hypoxanthine-guanine phosphoribosyltransferase (HGPRTase) and is itself converted to thioinosinic acid (TIMP). This intracellular nucleotide inhibits several reactions involving inosinic acid (IMP), including the conversion of IMP to xanthylic acid (XMP) and the conversion of IMP to adenylic acid (AMP) via adenylosuccinate (SAMP). In addition, 6-methylthioinosinate (MTIMP) is formed by the methylation of TIMP. Both TIMP and MTIMP have been reported to inhibit glutamine-5-phosphoribosylpyrophosphate amidotransferase, the first enzyme unique to the de novo pathway for purine ribonucleotide synthesis. Experiments indicate that radiolabeled mercaptopurine may be recovered from the DNA in the form of deoxythioguanosine. Some mercaptopurine is converted to nucleotide derivatives of 6-thioguanine (6-TG) by the sequential actions of inosinate (IMP) dehydrogenase and xanthylate (XMP) aminase, converting TIMP to thioguanylic acid (TGMP).","Pharmacodynamics":"Mercaptopurine is one of a large series of purine analogues which interfere with nucleic acid biosynthesis and has been found active against human leukemias. It is an analogue of the purine bases adenine and hypoxanthine. It is not known exactly which of any one or more of the biochemical effects of mercaptopurine and its metabolites are directly or predominantly responsible for cell death.","Absorption":"Clinical studies have shown that the absorption of an oral dose of mercaptopurine in humans is incomplete and variable, averaging approximately 50% of the administered dose. The factors influencing absorption are unknown.","Interactions":[{"ID":"DB01418"},{"ID":"DB00437"},{"ID":"DB00233"},{"ID":"DB01125"},{"ID":"DB00732"},{"ID":"DB00266"},{"ID":"DB01135"},{"ID":"DB04854"},{"ID":"DB00244"},{"ID":"DB01336"},{"ID":"DB01226"},{"ID":"DB01250"},{"ID":"DB01337"},{"ID":"DB00795"},{"ID":"DB00352"},{"ID":"DB00072"},{"ID":"DB01199"},{"ID":"DB01339"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT001026","Name":"Mercaptopurine monohydrate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00645","Drugs":["DB00993","DB01033"]},{"ID":"SMP00609","Drugs":["DB00118","DB00130","DB01033","DB01345"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB01034","Name":"Cerulenin","DrugType":"small molecule","HalfLife":"","Description":"Cerulenin is an antifungal antibiotic that inhibits sterol and fatty acid biosynthesis. In fatty acid synthesis, reported to bind in equimolar ratio to b-keto-acyl-ACP synthase. In sterol synthesis, inhibits HMG-CoA synthetase activity. It is also shown to inhibit feeding and induce dramatic weight loss in mice. It is found naturally in the Cephalosporium caerulensfungus. [Wikipedia]","Classification":{"Description":"This compound belongs to the oxirane carboxylic acids and derivatives. These are compounds containing an oxirane ring bearing a carboxylic acid group (or a derivative thereof).","DirectParent":"Oxirane Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Epoxides","SubClass":"Oxirane Carboxylic Acids and Derivatives"},"Indication":"For use as a biochemical tool, Cerulenin is shown to cause dramatic weight loss in animals","Toxicity":"Oral, mouse LD\u003csub\u003e50\u003c/sub\u003e: 547 mg/kg. Symptoms of overexposure include moderate to severe erythema (redness) and moderate edema (raised skin), nausea, vomiting, and headache.","MechanismOfAction":"Irreversibly binds to fatty acid synthase, specifically b-ketoacyl-acyl carrier protein synthase (FabH, FabB and FabF condensation enzymes). A number of tumor cells and cell lines have been observed to have highly upregulated expression and activity of fatty acid synthase (FAS). Inhibition of FAS by cerulenin leads to cytotoxicity and apoptosis in human cancer cell lines, an effect believed to be mediated by the accumulation of malonyl-coenzyme A in cells with an upregulated FAS pathway.","Pharmacodynamics":"Cerulenin is an antifungal antibiotic isolated from \u003ci\u003eCephalosporium caerulens\u003c/i\u003e. It interrupts fungal growth by inhibiting the biosynthesis of sterols and fatty acids (inhibits bacterial fatty acid synthesis). It also inhibits HMG-CoA synthetase activity. Cerulenin produces metabolic effects similar to effects of leptin, but through mechanisms that are independent of, or down-stream from, both leptin and melanocortin receptors.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01035","Name":"Procainamide","DrugType":"small molecule","HalfLife":"~2.5-4.5 hours","Description":"A derivative of procaine with less CNS action. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"For the treatment of life-threatening ventricular arrhythmias.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=95 mg/kg (rat, IV); LD\u003csub\u003e50\u003c/sub\u003e=312 mg/kg (mouse, oral); LD\u003csub\u003e50\u003c/sub\u003e=103 mg/kg (mouse, IV); LD\u003csub\u003e50\u003c/sub\u003e=250 mg/kg (rabbit, IV)","MechanismOfAction":"Procainamide is sodium channel blocker. It stabilizes the neuronal membrane by inhibiting the ionic fluxes required for the initiation and conduction of impulses thereby effecting local anesthetic action.","Pharmacodynamics":"Procainamide is an agent indicated for production of local or regional anesthesia and in the treatment of ventricular tachycardia occurring during cardiac manipulation, such as surgery or catheterization, or which may occur during acute myocardial infarction, digitalis toxicity, or other cardiac diseases. The mode of action of the antiarrhythmic effect of Procainamide appears to be similar to that of procaine and quinidine. Ventricular excitability is depressed and the stimulation threshold of the ventricle is increased during diastole. The sinoatrial node is, however, unaffected.","Absorption":"75 to 95%","Interactions":[{"ID":"DB01118"},{"ID":"DB06697"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00604"},{"ID":"DB01341"},{"ID":"DB00843"},{"ID":"DB08868"},{"ID":"DB00674"},{"ID":"DB01137"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB01165"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00863"},{"ID":"DB00243"},{"ID":"DB00989"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000724","Name":"Procainamide Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00324","Drugs":["DB01035","DB01345","DB01373"]}]},{"ID":"DB01036","Name":"Tolterodine","DrugType":"small molecule","HalfLife":"1.9-3.7 hours","Description":"Tolterodine is an antimuscarinic drug that is used to treat urinary incontinence. Tolterodine acts on M2 and M3 subtypes of muscarinic receptors.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence).","Toxicity":"","MechanismOfAction":"Both tolterodine and its active metabolite, 5-hydroxymethyltolterodine, act as competitive antagonists at muscarinic receptors. This antagonism results in inhibition of bladder contraction, decrease in detrusor pressure, and an incomplete emptying of the bladder.","Pharmacodynamics":"Tolterodine is a competitive muscarinic receptor antagonist. Both urinary bladder contraction and salivation are mediated via cholinergic muscarinic receptors. After oral administration, tolterodine is metabolized in the liver, resulting in the formation of the 5-hydroxymethyl derivative, a major pharmacologically active metabolite. The 5-hydroxymethyl metabolite, which exhibits an antimuscarinic activity similar to that of tolterodine, contributes significantly to the therapeutic effect. Both tolterodine and the 5-hydroxymethyl metabolite exhibit a high specificity for muscarinic receptors, since both show negligible activity or affinity for other neurotransmitter receptors and other potential cellular targets, such as calcium channels. Tolterodine has a pronounced effect on bladder function. The main effects of tolterodine are an increase in residual urine, reflecting an incomplete emptying of the bladder, and a decrease in detrusor pressure, consistent with an antimuscarinic action on the lower urinary tract.","Absorption":"","Interactions":[{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00201"},{"ID":"DB00477"},{"ID":"DB00501"},{"ID":"DB01012"},{"ID":"DB01211"},{"ID":"DB00257"},{"ID":"DB00907"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00343"},{"ID":"DB00843"},{"ID":"DB00254"},{"ID":"DB00625"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB01319"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB00281"},{"ID":"DB01601"},{"ID":"DB00916"},{"ID":"DB01110"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01059"},{"ID":"DB00715"},{"ID":"DB01186"},{"ID":"DB01263"},{"ID":"DB00761"},{"ID":"DB01278"},{"ID":"DB00908"},{"ID":"DB00243"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00021"},{"ID":"DB01104"},{"ID":"DB06268"},{"ID":"DB00382"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00759"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000467","Name":"Tolterodine Tartrate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01037","Name":"Selegiline","DrugType":"small molecule","HalfLife":"1.2-2 hours","Description":"A selective, irreversible inhibitor of Type B monoamine oxidase. It is used in newly diagnosed patients with Parkinson's disease. It may slow progression of the clinical disease and delay the requirement for levodopa therapy. It also may be given with levodopa upon onset of disability. (From AMA Drug Evaluations Annual, 1994, p385) The compound without isomeric designation is Deprenyl. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Monotherapy for initial treatment of Parkinson's disease, as well as an adjunct therapy in patients with a decreased response to levodopa/carbadopa. Also used for the palliative treatment of mild to moderate Alzheimer's disease and at higher doses, for the treatment of depression.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=63 mg/kg (rats, IV)","MechanismOfAction":"Although the mechanisms for selegiline's beneficial action in the treatment of Parkinson's disease are not fully understood, the selective, irreversible inhibition of monoamine oxidase type B (MAO-B) is thought to be of primary importance. MAO-B is involved in the oxidative deamination of dopamine in the brain. Selegiline binds to MAO-B within the nigrostriatal pathways in the central nervous system, thus blocking microsomal metabolism of dopamine and enhancing the dopaminergic activity in the substantial nigra. Selegiline may also increase dopaminergic activity through mechanisms other than inhibition of MAO-B. At higher doses, selegiline can also inhibit monozmine oxidase type A (MAO-A), allowing it to be used for the treatment of depression.","Pharmacodynamics":"Dopamine is an essential chemical that occurs in many parts of the body. It is the premature degradation of dopamine that results in the symptoms of Parkinson's disease. Monoamine oxidase (MAO) is an enzyme which accelerates the breakdown of dopamine. Selegiline can prolong the effects of dopamine in the brain by preventing its breakdown through seletively blocking MAO-B. It also may prevent the removal of dopamine between nerve endings and enhance release of dopamine from nerve cells.","Absorption":"Rapidly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01393"},{"ID":"DB00484"},{"ID":"DB00921"},{"ID":"DB00215"},{"ID":"DB06700"},{"ID":"DB00514"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01171"},{"ID":"DB00715"},{"ID":"DB00454"},{"ID":"DB06204"},{"ID":"DB04844"},{"ID":"DB04572"},{"ID":"DB00323"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000260","Name":"Selegeline Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01038","Name":"Carphenazine","DrugType":"small molecule","HalfLife":"","Description":"Carphenazine is an antipsychotic drug, used in hospitalized patients in the management of chronic schizophrenic psychoses.","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Used in the treatment of acute or chronic schizophrenic reactions in hospitalized patients.","Toxicity":"","MechanismOfAction":"A yellow, powdered, phenothiazine antipsychotic agent used in the treatment of acute or chronic schizophrenia. The term \"phenothiazines\" is used to describe the largest of the five main classes of neuroleptic antipsychotic drugs. These drugs have antipsychotic and, often, antiemetic properties, although they may also cause severe side effects such as akathisia, tardive dyskinesia and extrapyramidal symptoms. Carphenazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis.","Pharmacodynamics":"Carphenazine is a phenothiazine antipsychotic agent with a piperazine side-chain.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB01039","Name":"Fenofibrate","DrugType":"small molecule","HalfLife":"20 hours","Description":"An antilipemic agent which reduces both cholesterol and triglycerides in the blood. [PubChem]","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"For use as adjunctive therapy to diet to reduce elevated LDL-C, Total-C,Triglycerides and Apo B, and to increase HDL-C in adult patients with primary hypercholesterolemia or mixed dyslipidemia (Fredrickson Types IIa and IIb)","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1600 mg/kg (Oral, in mice); Investigated as a teratogen and reproductive hazard.","MechanismOfAction":"Fenofibrate exerts its therapeutic effects through activation of peroxisome proliferator activated receptor a (PPARa). This increases lipolysis and elimination of triglyceride-rich particles from plasma by activating lipoprotein lipase and reducing production of apoprotein C-III. The resulting fall in triglycerides produces an alteration in the size and composition of LDL from small, dense particles, to large buoyant particles. These larger particles have a greater affinity for cholesterol receptors and are catabolized rapidly.","Pharmacodynamics":"Fenofibrate is a lipid regulating agent indicated as adjunctive therapy to diet to reduce elevated LDL-C, Total-C,Triglycerides and Apo B, and to increase HDL-C in adult patients with primary hypercholesterolemia or mixed dyslipidemia (Fredrickson Types IIa and IIb). Fenofibrate is also indicated as adjunctive therapy to diet for treatment of adult patients with hypertriglyceridemia (Fredrickson Types IV and V hyperlipidemia). Fenofibric acid, the active metabolite of Fenofibrate, produces reductions in total cholesterol, LDL cholesterol, apolipoprotein B, total triglycerides and triglyceride rich lipoprotein (VLDL) in treated patients. In addition, treatment with fenofibrate results in increases in high density lipoprotein (HDL) and apoproteins apoAI and apoAII.","Absorption":"Fenofibrate is well absorbed from the gastrointestinal tract. After absorption, fenofibrate is mainly excreted in the urine in the form of metabolites, primarily fenofibric acid and fenofibric acid glucuronide","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB01076"},{"ID":"DB00439"},{"ID":"DB00266"},{"ID":"DB01095"},{"ID":"DB00046"},{"ID":"DB00227"},{"ID":"DB08860"},{"ID":"DB00175"},{"ID":"DB01098"},{"ID":"DB00641"},{"ID":"DB01586"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01040","Name":"Hydroxystilbamidine Isethionate","DrugType":"small molecule","HalfLife":"","Description":"Hydroxystilbamidine Isethionate is used in the therapy of some patients with nonprogressive blastomycosis of the skin, and pulmonary or systemic blastomycosis in children, with fewer side effects than amphotericin B. Hydroxystilbamidine Isethionate is also used in pathology for diagnostic purposes.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in the treatment of nonprogressive blastomycosis of the skin and other mycoses.","Toxicity":"","MechanismOfAction":"Hydroxystilbamidine isethionate (HSB) acts on extracellular DNA and lysosomes. In Trypanosomes there is extensive and selective binding of HSB to the kinetoplastic DNA. This inhibits cell division and reproduction. In yeast there is evidence of binding to extranuclear DNA causing numerous mutations. HSB is also taken up in the lysosomes and leads to a significant increase in the number of lysosome-like bodies and secretion granules in trypanosomal organisms. HSB may also stabilize lysosomal membranes. HSB has also been found to bind RNA and is a powerful inhibitor of cellular ribonucleases.","Pharmacodynamics":"Hydroxystilbamidine isethionate is a member of the diamidines, a large family of biochemially and pharmacologically interesting compounds. It has a rather unusual combination of properties, exhibiting antitrypanosomal, antimaliarial, antifungal and carcinostatic activities. It also appears to act as an immunosuppressant. This drug may be used in the treatment of blastomycosis, a disease cased by the dimorphic fungus or mold called Blastomyces dermatitids. Blastomycosis is a pulmonary infection that can lead to fever, cough and (rarely) symptoms similar to tuberculosis. Hydroxystilbamidine has largely been replaced with amphotericin B.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01041","Name":"Thalidomide","DrugType":"small molecule","HalfLife":"The mean half-life of elimination ranges from approximately 5 to 7 hours following a single dose and is not altered upon multiple dosing.","Description":"A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppresive and anti-angiogenic activity. It inhibits release of tumor necrosis factor-alpha from monocytes, and modulates other cytokine action. [PubChem]","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"For the acute treatment of the cutaneous manifestations of moderate to severe erythema nodosum leprosum (ENL). Also for use as maintenance therapy for prevention and suppression of the cutaneous manifestations of ENL recurrence.","Toxicity":"The R-configuration and the S-configuration are more toxic individually than the racemic mixture. The LD\u003csub\u003e50\u003c/sub\u003e could not be established in mice for racemic thalidomide, whereas LD\u003csub\u003e50\u003c/sub\u003e values for the R and S configurations are reported to be 0.4 to 0.7 g/kg and 0.5 to 1.5 g/kg, respectively.","MechanismOfAction":"In patients with erythema nodosum leprosum (ENL) the mechanism of action is not fully understood. Available data from in vitro studies and preliminary clinical trials suggest that the immunologic effects of this compound can vary substantially under different conditions, but may be related to suppression of excessive tumor necrosis factor-alpha (TNF-a) production and down-modulation of selected cell surface adhesion molecules involved in leukocyte migration. For example, administration of thalidomide has been reported to decrease circulating levels of TNF-a in patients with ENL, however, it has also been shown to increase plasma TNF-a levels in HIV-seropositive patients. As a cancer treatment, the drug may act as a VEGF inhibitor.","Pharmacodynamics":"Thalidomide is an immunomodulatory agent with a spectrum of activity that is not fully characterized. Thalidomide is racemic \u0026mdash; it contains both left and right handed isomers in equal amounts: one enantiomer is effective against morning sickness, and the other is teratogenic. The enantiomers are converted to each other in vivo. That is, if a human is given D-thalidomide or L-thalidomide, both isomers can be found in the serum. Hence, administering only one enantiomer will not prevent the teratogenic effect in humans.","Absorption":"The absolute bioavailability has not yet been characterized in human subjects due to its poor aqueous solubility. In studies of both healthy volunteers and subjects with Hansen\u0026rsquo;s disease, the mean time to peak plasma concentrations (Tmax) ranged from 2.9 to 5.7 hours indicating that thalidomide is slowly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01281"},{"ID":"DB00479"},{"ID":"DB00026"},{"ID":"DB01234"},{"ID":"DB00798"},{"ID":"DB00108"},{"ID":"DB00955"},{"ID":"DB06372"},{"ID":"DB00684"},{"ID":"DB00072"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB01042","Name":"Melphalan","DrugType":"small molecule","HalfLife":"1.5 (\u0026plusmn;0.83) hours","Description":"An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - melphalan, the racemic mixture - merphalan, and the dextro isomer - medphalan; toxic to bone marrow, but little vesicant action; potential carcinogen. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"For the palliative treatment of multiple myeloma and for the palliation of non-resectable epithelial carcinoma of the ovary. Has also been used alone or as part of various chemotherapeutic regimens as an adjunct to surgery in the treatment of breast cancer, alone or in combination regimens for palliative treatment of locally recurrent or unresectable in-transit metastatic melanoma of the extremities, as well as for the treatment of amyloidosis with prednisone.","Toxicity":"Vomiting, ulceration of the mouth, diarrhea, and hemorrhage of the gastrointestinal tract; The principal toxic effect is bone marrow suppression. LD\u003csub\u003e50\u003c/sub\u003e=11.2 mg/kg (orally in rat)","MechanismOfAction":"Alkylating agents work by three different mechanisms: 1) attachment of alkyl groups to DNA bases (primarily at the N-7 position of guanine and to a lesser extent, at the N-3 position of adenine), forming monoadducts and resulting in the DNA being fragmented by repair enzymes in their attempts to replace the alkylated bases, preventing DNA synthesis and RNA transcription from the affected DNA, 2) DNA damage via the formation of cross-links (bonds between atoms in the DNA) which prevents DNA from being separated for synthesis or transcription, and 3) the induction of mispairing of the nucleotides leading to mutations.","Pharmacodynamics":"Melphalan is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Alkylating agents are cell cycle-nonspecific. Alkylating agents work by three different mechanisms all of which achieve the same end result - disruption of DNA function and cell death.","Absorption":"Incomplete, variable, 25-89% post oral dose","Interactions":[{"ID":"DB06769"},{"ID":"DB00091"},{"ID":"DB00072"}],"Salts":[{"ID":"DBSALT001019","Name":"Melphalan hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01043","Name":"Memantine","DrugType":"small molecule","HalfLife":"60-100 hours","Description":"Memantine is an amantadine derivative with low to moderate-affinity for NMDA receptors. It is a noncompetitive NMDA receptor antagonist that binds preferentially to NMDA receptor-operated cation channels. It blocks the effects of excessive levels of glutamate that may lead to neuronal dysfunction. It is under investigation for the treatment of Alzheimer's disease, but there has been no clinical support for the prevention or slowing of disease progression.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For the treatment of moderate to severe dementia of the Alzheimer's type.","Toxicity":"Side effects include pain, abnormal crying, leg pain, fever, increased apetite. Adverse drug reactions include: dizziness, confusion, headache, hallucinations, tiredness. Less common side effects include: vomiting, anxiety, hypertonia, cystitis, and increased libido. Doses of up to 400 mg have been tolerated.","MechanismOfAction":"Memantine exerts its action through uncompetitive NMDA receptor antagonism, binding preferentially to the NMDA receptor-operated cation channels. Prolonged increased levels of glutamate in the brain of demented patients are sufficient to counter the voltage-dependent block of NMDA receptors by Mg\u003csup\u003e2+\u003c/sup\u003e ions and allow continuous influx of Ca\u003csup\u003e2+\u003c/sup\u003e ions into cells, ultimately resulting in neuronal degeneration. Studies suggest that memantine binds more effectively than Mg\u003csup\u003e2+\u003c/sup\u003e ions at the NMDA receptor, and thereby effectively blocks this prolonged influx of Ca\u003csup\u003e2+\u003c/sup\u003e ions through the NMDA channel whilst preserving the transient physiological activation of the channels by higher concentrations of synaptically released glutamate. Thus memantine protects against chronically elevated concentrations of glutamate. Memantine also has antagonistic activity at the type 3 serotonergic (5-HT\u003csub\u003e3\u003c/sub\u003e) receptor with a potency that is similar to that at the NMDA receptor, and lower antagonistic activity at the nicotinic acetylcholine receptor. This drug has no affinity for γ-aminobutyric acid (GABA), benzodiazepine, dopamine, adrenergic, histamine, or glycine receptors or for voltage-dependent calcium, sodium, or potassium channels.","Pharmacodynamics":"Memantine, an amantadine derivative, is an NMDA receptor antagonist used in the treatment of Alzheimer's disease. It differs from traditional agents used in Alzheimer's disease by acting on glutamatergic neurotransmission, rather than cholinergic. There is some evidence that dysfunction of glutamatergic neurotransmission, manifested as neuronal excitotoxicity, is involved in the aetiology of Alzheimer's disease (Cacabelos et al., 1999). As such, targeting the glutamatergic system, specifically NMDA receptors, was a novel approach to treatment in view of the limited efficacy of existing drugs targeting the cholinergic system. A systematic review of randomised controlled trials found that memantine has a positive effect on cognition, mood, behaviour, and the ability to perform daily activities. There is no evidence that memantine prevents or slows neurodegeneration in patients with Alzheimer's disease.","Absorption":"Well absorbed orally with a bioavailability of approximately 100%. Peak plasma concentrations are reached in 3-7 hours. Food has no effect on absorption.","Interactions":[{"ID":"DB00819"},{"ID":"DB00915"},{"ID":"DB01144"},{"ID":"DB01221"},{"ID":"DB00703"},{"ID":"DB01390"}],"Salts":[{"ID":"DBSALT000456","Name":"Memantine Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01044","Name":"Gatifloxacin","DrugType":"small molecule","HalfLife":"7-14 hours","Description":"Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial enzymes DNA gyrase and topoisomerase IV. Bristol-Myers Squibb introduced Gatifloxacin in 1999 under the proprietary name Tequin® for the treatment of respiratory tract infections, having licensed the medication from Kyorin Pharmaceutical Company of Japan. Allergan produces an eye-drop formulation called Zymar®. Gatifloxacin is available as tablets and in various aqueous solutions for intravenous therapy. [Wikipedia]","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of bronchitis, sinusitis, community-acquired pneumonia, and skin infections (abscesses, wounds) caused by S. pneumoniae, H. influenzae, S. aureus, M. pneumoniae, C. pneumoniae, L. pneumophila, S. pyogenes","Toxicity":"","MechanismOfAction":"The bactericidal action of Gatifloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, and recombination.","Pharmacodynamics":"Gatifloxacin is a synthetic broad-spectrum 8-methoxyfluoroquinolone antibacterial agent for oral or intravenous administration. is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase, which allows the untwisting required to replicate one DNA double helix into two. Notably the drug has 100 times higher affinity for bacterial DNA gyrase than for mammalian. Gatifloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria. It should be used only to treat or prevent infections that are proven or strongly suspected to be caused by bacteria.","Absorption":"Well absorbed from the gastrointestinal tract after oral administration with absolute bioavailability of gatifloxacin is 96%","Interactions":[{"ID":"DB01370"},{"ID":"DB01118"},{"ID":"DB01244"},{"ID":"DB01158"},{"ID":"DB00477"},{"ID":"DB00390"},{"ID":"DB01341"},{"ID":"DB00280"},{"ID":"DB00623"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB01397"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00850"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB00777"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00489"},{"ID":"DB00364"},{"ID":"DB00864"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB01593"},{"ID":"DB00246"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01045","Name":"Rifampicin","DrugType":"small molecule","HalfLife":"3.35 (+/- 0.66) hours","Description":"A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman\u0026#39;s The Pharmacological Basis of Therapeutics, 9th ed, p1160)","Classification":{"Description":"This compound belongs to the naphthofurans. These are compounds containing a furan ring fused to a naphthalene moeity.","DirectParent":"Naphthofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthofurans","SubClass":""},"Indication":"For the treatment of Tuberculosis and Tuberculosis-related mycobacterial infections.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1570 mg/kg (rat), chronic exposure may cause nausea and vomiting and unconsciousness","MechanismOfAction":"Rifampin acts via the inhibition of DNA-dependent RNA polymerase, leading to a suppression of RNA synthesis and cell death.","Pharmacodynamics":"Rifampin is an antibiotic that inhibits DNA-dependent RNA polymerase activity in susceptible cells. Specifically, it interacts with bacterial RNA polymerase but does not inhibit the mammalian enzyme. It is bactericidal and has a very broad spectrum of activity against most gram-positive and gram-negative organisms (including \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e) and specifically \u003ci\u003eMycobacterium tuberculosis\u003c/i\u003e. Because of rapid emergence of resistant bacteria, use is restricted to treatment of mycobacterial infections and a few other indications. Rifampin is well absorbed when taken orally and is distributed widely in body tissues and fluids, including the CSF. It is metabolized in the liver and eliminated in bile and, to a much lesser extent, in urine, but dose adjustments are unnecessary with renal insufficiency.","Absorption":"Well absorbed from gastrointestinal tract.","Interactions":[{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB00414"},{"ID":"DB00802"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00701"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB01117"},{"ID":"DB08903"},{"ID":"DB06769"},{"ID":"DB00443"},{"ID":"DB00612"},{"ID":"DB08873"},{"ID":"DB06616"},{"ID":"DB01558"},{"ID":"DB01156"},{"ID":"DB00490"},{"ID":"DB06772"},{"ID":"DB08907"},{"ID":"DB00520"},{"ID":"DB00482"},{"ID":"DB00439"},{"ID":"DB00446"},{"ID":"DB00672"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00363"},{"ID":"DB01380"},{"ID":"DB08865"},{"ID":"DB08865"},{"ID":"DB00091"},{"ID":"DB06695"},{"ID":"DB08912"},{"ID":"DB00250"},{"ID":"DB01254"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB01234"},{"ID":"DB00829"},{"ID":"DB00586"},{"ID":"DB00266"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB01142"},{"ID":"DB00254"},{"ID":"DB00651"},{"ID":"DB00584"},{"ID":"DB00530"},{"ID":"DB00199"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB01628"},{"ID":"DB00813"},{"ID":"DB00196"},{"ID":"DB00687"},{"ID":"DB01095"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB08884"},{"ID":"DB00317"},{"ID":"DB01120"},{"ID":"DB00222"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB00502"},{"ID":"DB00741"},{"ID":"DB00619"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB08820"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB00555"},{"ID":"DB01097"},{"ID":"DB08882"},{"ID":"DB00678"},{"ID":"DB00227"},{"ID":"DB00358"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB00959"},{"ID":"DB00264"},{"ID":"DB00379"},{"ID":"DB00683"},{"ID":"DB08893"},{"ID":"DB00295"},{"ID":"DB00688"},{"ID":"DB00220"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB00540"},{"ID":"DB04938"},{"ID":"DB01303"},{"ID":"DB01384"},{"ID":"DB06589"},{"ID":"DB00252"},{"ID":"DB08860"},{"ID":"DB08860"},{"ID":"DB08910"},{"ID":"DB08901"},{"ID":"DB08901"},{"ID":"DB01058"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB00344"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00980"},{"ID":"DB08896"},{"ID":"DB00912"},{"ID":"DB08864"},{"ID":"DB00503"},{"ID":"DB01656"},{"ID":"DB00412"},{"ID":"DB08877"},{"ID":"DB01232"},{"ID":"DB06335"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00857"},{"ID":"DB00277"},{"ID":"DB00932"},{"ID":"DB01056"},{"ID":"DB08895"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB06212"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00620"},{"ID":"DB00897"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB08867"},{"ID":"DB00313"},{"ID":"DB05294"},{"ID":"DB08881"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00962"},{"ID":"DB00495"}],"Salts":[{"ID":"DBSALT001014","Name":"Rifampicin sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01046","Name":"Lubiprostone","DrugType":"small molecule","HalfLife":"0.9 to 1.4 hours","Description":"Lubiprostone is a medication used in the management of idiopathic chronic constipation. It is a bicyclic fatty acid (prostaglandin E1 derivative) which acts by specifically activating ClC-2 chloride channels on the apical aspect of gastrointestinal epithelial cells, producing a chloride-rich fluid secretion. These secretions soften the stool, increase motility, and promote spontaneous bowel movements (SBM).","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"For the treatment of chronic idiopathic constipation in the adult population. Also used for the treatment of irritable bowel syndrome with constipation in women who are 18 years of age or older.","Toxicity":"In a definitive Phase 1 cardiac repolarization study, 51 patients were administered a single oral dose of 144 mcg of lubiprostone, which is 6 times the normal single administration dose. Thirty-nine (39) of the 51 patients experienced an adverse event. The adverse events reported in \u003e1% of this group included the following: nausea (45.1%), vomiting (27.5%), diarrhea (25.5%), dizziness (17.6%), loose or watery stools (13.7%), headache (11.8%), retching (7.8%), abdominal pain (5.9%), flushing or hot flush (5.9%), dyspnea (3.9%), pallor (3.9%), stomach discomfort (3.9%), syncope (3.9%), upper abdominal pain (2.0%), anorexia (2.0%), asthenia (2.0%), chest discomfort (2.0%), dry mouth (2.0%), hyperhidrosis (2.0%), skin irritation (2.0%) and vasovagal episode (2.0%).","MechanismOfAction":"Lubiprostone acts by specifically activating ClC-2 chloride channels, which is a normal constituent of the apical membrane of the human intestine, in a protein kinase A action independent fashion. Activation of ClC-2 chloride channels causes an efflux of chloride ions into the lumen, which in turn leads to an efflux of sodium ions through a paracellular pathway to maintain isoelectric neutrality. As a result, water follows sodium into the lumen in order to maintain isotonic equilibrium, thereby increasing intestinal fluid secretion. By increasing intestinal fluid secretion, lubiprostone increases motility in the intestine, thereby increasing the passage of stool and alleviating symptoms associated with chronic idiopathic constipation. Activation of ClC-2 chloride channels may also stimulate the recovery of muscosal barrier function by restoring tight junction protein complexes in the intestine. Patch clamp cell studies in human cell lines have indicated that the majority of the beneficial biological activity of lubiprostone and its metabolites is observed only on the apical (luminal) portion of the gastrointestinal epithelium.","Pharmacodynamics":"Chronic idiopathic constipation is generally defined by infrequent or difficult passage of stool. The signs and symptoms associated with chronic idiopathic constipation (i.e., abdominal pain or discomfort, bloating, straining, and hard or lumpy stools) may be the result of abnormal colonic motility that can delay the transit of intestinal contents and impede the evacuation of rectal contents. One approach to the treatment of chronic idiopathic constipation is the secretion of fluid into the abdominal lumen through the activation of chloride channels in the apical membrane of the gastrointestinal epithelium. Lubiprostone is a locally acting chloride channel activator that increases intestinal chloride and fluid secretion without altering sodium and potassium concentrations in the serum.","Absorption":"Lubiprostone has low systemic availability following oral administration and concentrations of lubiprostone in plasma are below the level of quantitation (10 pg/mL).","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01047","Name":"Fluocinonide","DrugType":"small molecule","HalfLife":"","Description":"A topical glucocorticoid used in the treatment of eczema. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"A topical anti-inflammatory product for the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses.","Toxicity":"Side effects may include acne-like eruptions, burning, dryness, excessive hair growth, infection of the skin, irritation, itching, lack of skin color, prickly heat, skin inflammation, skin loss or softening, stretch marks","MechanismOfAction":"Fluocinonide is a potent glucocorticoid steroid used topically as anti-inflammatory agent for the treatment of skin disorders such as eczema. It relieves itching, redness, dryness, crusting, scaling, inflammation, and discomfort. Fluocinonide binds to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Specifically glucocorticoids induce lipocortin-1 (annexin-1) synthesis, which then binds to cell membranes preventing the phospholipase A2 from coming into contact with its substrate arachidonic acid. This leads to diminished eicosanoid production. Cyclooxygenase (both COX-1 and COX-2) expression is also suppressed, potentiating the effect. In another words, the two main products in inflammation Prostaglandins and Leukotrienes are inhibited by the action of Glucocorticoids. Glucocorticoids also stimulate the lipocortin-1 escaping to the extracellular space, where it binds to the leukocyte membrane receptors and inhibits various inflammatory events: epithelial adhesion, emigration, chemotaxis, phagocytosis, respiratory burst and the release of various inflammatory mediators (lysosomal enzymes, cytokines, tissue plasminogen activator, chemokines etc.) from neutrophils, macrophages and mastocytes. Additionally the immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Like other glucocorticoid agents Fluocinolone acetonide acts as a physiological antagonist to insulin by decreasing glycogenesis (formation of glycogen). It also promotes the breakdown of lipids (lipolysis), and proteins, leading to the mobilization of extrahepatic amino acids and ketone bodies. This leads to increased circulating glucose concentrations (in the blood). There is also decreased glycogen formation in the liver.","Pharmacodynamics":"Fluocinonide is a potent glucocorticoid steroid used topically as anti-inflammatory agent for the treatment of skin disorders such as eczema. It relieves itching, redness, dryness, crusting, scaling, inflammation, and discomfort. [Wikipedia]","Absorption":"The extent of percutaneous absorption of topical corticosteroids is determined by many factors including the vehicle, the integrity of the epidermal barrier, and the use of occlusive dressings. In general, percutaneous absorption is minimal. ","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01048","Name":"Abacavir","DrugType":"small molecule","HalfLife":"1.54 ± 0.63 hours","Description":"Abacavir (ABC) is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. [Wikipedia] Chemically, it is a synthetic carbocyclic nucleoside and is the enantiomer with 1S, 4R absolute configuration on the cyclopentene ring. In vivo, abacavir sulfate dissociates to its free base, abacavir. ","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of HIV-1 infection, in combination with other antiretroviral agents.","Toxicity":"Some myocardial degeneration has been noticed in rats and mice. The most commonly reported adverse reactions of at least moderate intensity (incidence ≥10%) in adult HIV-1 clinical trials were nausea, headache, malaise and fatigue, nausea and vomiting, and dreams/sleep disorders. Serious hypersensitivity reactions have been associated with abacavir which has been strongly linked to the presence of the HLA-B*57:01 allele. This reaction manifests itself in patients within the first 6 weeks of treatment. Patients should be tested for the presence of this allele as recommended by the U.S Food and Drug Administration (FDA). ","MechanismOfAction":"Abacavir is a carbocyclic synthetic nucleoside analogue and an antiviral agent. Intracellularly, abacavir is converted by cellular enzymes to the active metabolite carbovir triphosphate, an analogue of deoxyguanosine-5'-triphosphate (dGTP). Carbovir triphosphate inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA. Viral DNA growth is terminated because the incorporated nucleotide lacks a 3'-OH group, which is needed to form the 5′ to 3′ phosphodiester linkage essential for DNA chain elongation. ","Pharmacodynamics":"Abacavir is a nucleoside reverse transcriptase inhibitor (NRTI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Abacavir is phosphorylated to active metabolites that compete for incorporation into viral DNA. They inhibit the HIV reverse transcriptase enzyme competitively and act as a chain terminator of DNA synthesis. The concentration of drug necessary to effect viral replication by 50 percent (EC50) ranged from 3.7 to 5.8 μM (1 μM = 0.28 mcg/mL) and 0.07 to 1.0 μM against HIV-1IIIB and HIV-1BaL, respectively, and was 0.26 ± 0.18 μM against 8 clinical isolates. Abacavir had synergistic activity in cell culture in combination with the nucleoside reverse transcriptase inhibitor (NRTI) zidovudine, the non-nucleoside reverse transcriptase inhibitor (NNRTI) nevirapine, and the protease inhibitor (PI) amprenavir; and additive activity in combination with the NRTIs didanosine, emtricitabine, lamivudine, stavudine, tenofovir, and zalcitabine. ","Absorption":"Rapid and extensive after oral administration (83% bioavailability, tablet). When a 300 mg tablet is given twice daily to subjects, the peak plasma concentration (Cmax) was 3.0 ± 0.89 mcg/mL and the area under the curve (AUC 0-12 hours) was 6.02 ± 1.73 mcg•hr/mL. ","Interactions":[{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB01264"},{"ID":"DB00898"},{"ID":"DB01319"},{"ID":"DB01004"},{"ID":"DB00224"},{"ID":"DB01601"},{"ID":"DB00220"},{"ID":"DB00811"},{"ID":"DB01693"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00932"},{"ID":"DB01610"}],"Salts":[{"ID":"DBSALT000871","Name":"Abacavir Sulfate "}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00737","Drugs":["DB01048"]}]},{"ID":"DB01049","Name":"Ergoloid mesylate","DrugType":"small molecule","HalfLife":"3.5 hours","Description":"Ergoloid mesylate is a dihydrogenated ergot (Claviceps purpurea) derivative alkaloid used as a vasodilator agent. Ergoloid Mesylate is the only vasodilator that has shown mild benefits in the treatment of vascular dementia. Ergoloid Mesylate is a mixture of three different ergotamantriones: dihydroergocornine, dihydroergocristine, and dihydroergocryptine. It has been proposed to be a neuroprotective agent. The mechanism of its therapeutic actions is not clear.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For use as an adjunct therapy for patients with dementia.","Toxicity":"Symptoms of overdose include dyspnea, hypotension or hypertension, rapid weak pulse, delirium, nausea, vomiting, and bradycardia.","MechanismOfAction":"Ergoloid mesylates act centrally, decreasing vascular tone and slowing the heart rate, and acts peripherally to block alpha-receptors. One other possible mechanism is the effect of ergoloid mesylates on neuronal cell metabolism, resulting in improved oxygen uptake and cerebral metabolism, thereby normalizing depressed neurotransmitter levels.","Pharmacodynamics":"Ergoloid Mesylate may increase cerebral metabolism and blood flow. The role of this medication in the therapy of dementia is controversial. A recent controlled study in patients with Alzheimer's disease found that there was no advantage to the use of ergoloid mesylates compared to placebo, suggesting that ergoloid mesylates may lower scores on some cognitive and behavioral rating scales. Further study is needed to determine the risk-benefit profile of ergoloid mesylates in the treatment of dementia.","Absorption":"Rapidly but incompletely (approximately 25%) absorbed from the gastrointestinal tract. Approximately 50% of the absorbed dose is eliminated by first-pass metabolism.","Interactions":[{"ID":"DB06700"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01050","Name":"Ibuprofen","DrugType":"small molecule","HalfLife":"2-4 hours","Description":"Ibuprofen, a propionic acid derivative, is a prototypical nonsteroidal anti-inflammatory agent (NSAIA) with analgesic and antipyretic properties. ","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"For symptomatic treatment of rheumatoid arthritis, juvenile rheumatoid arthritis and osteoarthritis. May be used to treat mild to moderate pain and for the management of dysmenorrhea. May be used to reduce fever. Has been used with some success for treating ankylosing spondylitis, gout and psoriatic arthritis. May reduce pain, fever and inflammation of pericarditis. May be used IV with opiates to relieve moderate to severe pain. Ibuprofen lysine may be used IV to treat patent ductus arteriosus (PDA) in premature neonates. \r\n","Toxicity":"\u003cp\u003eSide effects: May cause peripheral edema and fluid retention. Use caution in patients with congestive heart failure or severe uncontrolled hypertension. May cause dyspepsia, heartburn, nausea, vomiting, anorexia, diarrhea, constipation, stomatitis, flatulence, bloating, epigastric pain, and abdominal pain. Peptic ulcer and GI bleeding have been reported. May also cause dizziness, headache and nervousness. Acute renal failure accompanied by acute tubular necrosis has been reported. \r\n\u003cp\u003eMost common symptoms of overdose are abdominal pain, nausea, vomiting, lethargy, vertigo, drowsiness (somnolence), dizziness and insomnia. Other symptoms of overdose include headache, loss of consciousness, tinnitus, CNS depression, convulsions and seizures. May rarely cause metabolic acidosis, abnormal hepatic function, hyperkalemia, renal failure, dyspnea, respiratory depression, coma, acute renal failure, and apnea (primarily in very young pediatric patients).\u003c/p\u003e \r\n\u003cp\u003eLD\u003csub\u003e50\u003c/sub\u003e=1255mg/kg(orally in mice)\u003c/p\u003e","MechanismOfAction":"The exact mechanism of action of ibuprofen is unknown. Ibuprofen is a non-selective inhibitor of cyclooxygenase, an enzyme invovled in prostaglandin synthesis via the arachidonic acid pathway. Its pharmacological effects are believed to be due to inhibition cylooxygenase-2 (COX-2) which decreases the synthesis of prostaglandins involved in mediating inflammation, pain, fever and swelling. Antipyretic effects may be due to action on the hypothalamus, resulting in an increased peripheral blood flow, vasodilation, and subsequent heat dissipation. Inhibition of COX-1 is thought to cause some of the side effects of ibuprofen including GI ulceration. Ibuprofen is administered as a racemic mixture. The R-enantiomer undergoes extensive interconversion to the S-enantiomer \u003ci\u003ein vivo\u003c/i\u003e. The S-enantiomer is believed to be the more pharmacologically active enantiomer.","Pharmacodynamics":"Ibuprofen is a nonsteroidal anti-inflammatory agent (NSAIA) or nonsteroidal anti-inflammatory drug (NSAID), with analgesic and antipyretic properties. Ibuprofen has pharmacologic actions similar to those of other prototypical NSAIAs, which are thought to act through inhibition of prostaglandin synthesis. ","Absorption":"~ 80% absorbed from GI tract\r\n\u003cp\u003eTime to reach peak plasma concentration = 47 minutes (suspension), 62 minutes (chewable tablets), 120 minutes (conventional tablets)\u003c/p\u003e","Interactions":[{"ID":"DB01193"},{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB00335"},{"ID":"DB08822"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00887"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB00187"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB01381"},{"ID":"DB04865"},{"ID":"DB00598"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB06813"},{"ID":"DB06209"},{"ID":"DB00571"},{"ID":"DB00489"},{"ID":"DB00675"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB08814"},{"ID":"DB00440"},{"ID":"DB06684"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01051","Name":"Novobiocin","DrugType":"small molecule","HalfLife":"6 hours","Description":"An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189) [PubChem]","Classification":{"Description":"This compound belongs to the coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.","DirectParent":"Coumarin Glycosides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":"Coumarin Glycosides"},"Indication":"For the treatment of infections due to staphylococci and other susceptible organisms","Toxicity":"","MechanismOfAction":"Novobiocin is an aminocoumarin. Aminocoumarins are very potent inhibitors of bacterial DNA gyrase and work by inhibiting the GyrB subunit of the enzyme involved in energy tranduction. Novobiocin as well as the other aminocoumarin antibiotics act as competitive inhibitors of the ATPase reaction catalysed by GyrB.","Pharmacodynamics":"Novobiocin is an aminocoumarin antibiotic that was produced by the actinomycete \u003ci\u003eStreptomyces niveus\u003c/i\u003e. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. Other antibiotics in the aminocoumarin class include coumermycin A1 and clorobiocin.","Absorption":"Oral bioavailability is negligible.","Interactions":null,"Salts":[{"ID":"DBSALT001020","Name":"Novobiocin sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01053","Name":"Benzylpenicillin","DrugType":"small molecule","HalfLife":"In adults with normal renal function is reportedly 0.4–0.9 hours","Description":"Benzylpenicillin (Penicillin G) is narrow spectrum antibiotic used to treat infections caused by susceptible bacteria. It is a natural penicillin antibiotic that is administered intravenously or intramuscularly due to poor oral absorption. Penicillin G may also be used in some cases as prophylaxis against susceptible organisms.\r\n \r\nNatural penicillins are considered the drugs of choice for several infections caused by susceptible gram positive aerobic organisms, such as \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, groups A, B, C and G streptococci, nonenterococcal group D streptococci, viridans group streptococci, and non-penicillinase producing staphylococcus. Aminoglycosides may be added for synergy against group B streptococcus (\u003ci\u003eS. agalactiae\u003c/i\u003e), \u003ci\u003eS. viridans\u003c/i\u003e, and \u003ci\u003eEnterococcus faecalis\u003c/i\u003e. The natural penicillins may also be used as first or second line agents against susceptible gram positive aerobic bacilli such as \u003ci\u003eBacillus anthracis\u003c/i\u003e, \u003ci\u003eCorynebacterium diphtheriae\u003c/i\u003e, and \u003ci\u003eErysipelothrix rhusiopathiae\u003c/i\u003e. Natural penicillins have limited activity against gram negative organisms; however, they may be used in some cases to treat infections caused by \u003ci\u003eNeisseria meningitidis\u003c/i\u003e and \u003ci\u003ePasteurella\u003c/i\u003e. They are not generally used to treat anaerobic infections. Resistance patterns, susceptibility and treatment guidelines vary across regions. ","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For use in the treatment of severe infections caused by penicillin G-susceptible microorganisms when rapid and high penicillin levels are required such as in the treatment of septicemia, meningitis, pericarditis, endocarditis and severe pneumonia.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat is 8900 mk/kg. Neurological adverse reactions, including convulsions, may occur with the attainment of high CSF levels of beta-lactams. Neutropenia can occur if high doses are administered consistently for over 2 weeks. ","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, penicillin G inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that penicillin G interferes with an autolysin inhibitor.","Pharmacodynamics":"Penicillin G is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name \"penicillin\" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Penicillin G has \u003ci\u003ein vitro\u003c/i\u003e activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of penicillin G results from the inhibition of cell wall synthesis and is mediated through penicillin G binding to penicillin binding proteins (PBPs). Penicillin G is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases.","Absorption":"Rapidly absorbed following both intramuscular and subcutaneous injection. Initial blood levels following parenteral administration are high but transient. Oral absorption in fasting, healthy humans is only about 15-30% as it is very susceptible to acid-catalyzed hydrolysis.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00933"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"},{"ID":"DB00679"}],"Salts":[{"ID":"DBSALT000981","Name":"Benzylpenicillin potassium"},{"ID":"DBSALT000726","Name":"Benzylpenicillin sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01054","Name":"Nitrendipine","DrugType":"small molecule","HalfLife":"","Description":"A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive. [PubChem]","Classification":{"Description":"This compound belongs to the dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.","DirectParent":"Dihydropyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"For the treatment of mild to moderate hypertension","Toxicity":"","MechanismOfAction":"By deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, Nitrendipine inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Pharmacodynamics":"Nitrendipine, a dihydropyridine calcium-channel blocker, is used alone or with an angiotensin-converting enzyme inhibitor, to treat hypertension, chronic stable angina pectoris, and Prinzmetal's variant angina. Nitrendipine is similar to other peripheral vasodilators. Nitrendipine inhibits the influx of extra cellular calcium across the myocardial and vascular smooth muscle cell membranes possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum. The decrease in intracellular calcium inhibits the contractile processes of the myocardial smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Absorption":"","Interactions":[{"ID":"DB00501"},{"ID":"DB00976"},{"ID":"DB00599"},{"ID":"DB00932"},{"ID":"DB00374"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00382","Drugs":["DB01054","DB01345","DB01373"]}]},{"ID":"DB01055","Name":"Mimosine","DrugType":"small molecule","HalfLife":"","Description":"3-Hydroxy-4-oxo-1(4H)-pyridinealanine. An antineoplastic alanine-substituted pyridine derivative isolated from Leucena glauca. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"Mimosine causes inhibition of DNA replication, changes in the progression of the cells in the cell cycle, and apoptosis. Mimosine appears to introduce breaks into DNA. Mimosine is an iron/zinc chelator. Iron depletion induces DNA double-strand breaks in treated cells, and activates a DNA damage response that results in focal phosphorylation of histones. This leads to inhibition of DNA replication and/or DNA elongation. Some studies indicate that mimosine prevents the initiation of DNA replication, whereas other studies indicate that mimosine disrupts elongation of the replication fork by impairing deoxyribonucleotide synthesis by inhibiting the activity of the iron-dependent enzyme ribonucleotide reductase and the transcription of the cytoplasmic serine hydroxymethyltransferase gene (SHMT). Inhibition of serine hydroxymethyltransferase is moderated by a zinc responsive unit located in front of the SHMT gene.","Pharmacodynamics":"Mimosine inhibits DNA synthesis at the level of elongation of nascent chains by altering deoxyribonucleotide metabolism. It arrests the cell cycle in the late G(1) phase.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01056","Name":"Tocainide","DrugType":"small molecule","HalfLife":"The average plasma half-life in patients is approximately 15 hours. May be prolonged up to 35 hours in patients with severe renal function impairment (creatinine clearance less than 30 mL per min per 1.73 square meters of body surface area.","Description":"An antiarrhythmic agent which exerts a potential- and frequency-dependent block of sodium channels. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, that, in the judgment of the physician, are life-threatening.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e of tocainide was calculated to be about 800 mg/kg in mice, 1000 mg/kg in rats, and 230 mg/kg in guinea pigs; deaths were usually preceded by convulsions.","MechanismOfAction":"Tocainide acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. Tocainide binds preferentially to the inactive state of the sodium channels.The antiarrhythmic actions are mediated through effects on sodium channels in Purkinje fibers.","Pharmacodynamics":"Tocainide is a primary amine analog of lidocaine with antiarrhythmic properties useful in the treatment of ventricular arrhythmias. Tocainide, like lidocaine, produces dose dependent decreases in sodium and potassium conductance, thereby decreasing the excitability of myocardial cells. In experimental animal models, the dose-related depression of sodium current is more pronounced in ischemic tissue than in normal tissue. Tocainide is a Class I antiarrhythmic compound with electrophysiologic properties in man similar to those of lidocaine, but dissimilar from quinidine, procainamide, and disopyramide.","Absorption":"Following oral administration, the bioavailability approaches 100 percent, and is unaffected by food.","Interactions":[{"ID":"DB01045"},{"ID":"DB00342"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00330","Drugs":["DB01056","DB01345","DB01373"]}]},{"ID":"DB01057","Name":"Echothiophate","DrugType":"small molecule","HalfLife":"","Description":"A potent, long-acting irreversible cholinesterase inhibitor used as an ocular hypertensive in the treatment of glaucoma. Occasionally used for accomodative esotropia.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For use in the treatment of subacute or chronic angle-closure glaucoma after iridectomy or where surgery is refused or contraindicated.","Toxicity":"Side effects include blurred vision or change in near or distant vision and eye pain.\r\nLD50: 174 mcg/kg in rats. (MSDS)","MechanismOfAction":"Echothiophate Iodide is a long-acting cholinesterase inhibitor for topical use which enhances the effect of endogenously liberated acetylcholine in iris, ciliary muscle, and other parasympathetically innervated structures of the eye. Echothiophate iodide binds irreversibly to cholinesterase, and is long acting due to the slow rate of hydrolysis by cholinesterase. It causes miosis, increase in facility of outflow of aqueous humor, fall in intraocular pressure, and potentiation of accommodation. ","Pharmacodynamics":"Echothiophate Iodide is a potent, long-acting cholinesterase inhibitor used as a miotic in the treatment of glaucoma. Echothiophate iodide will depress both plasma and erythrocyte cholinesterase levels in most patients after a few weeks of eyedrop therapy.","Absorption":"This ophthalmic medication may be systemically absorbed.","Interactions":[{"ID":"DB00202"}],"Salts":[{"ID":"DBSALT001098","Name":"Ecothiopate Iodide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01058","Name":"Praziquantel","DrugType":"small molecule","HalfLife":"0.8-1.5 hours (in serum)","Description":"An anthelmintic used in most schistosome and many cestode infestations. [PubChem]","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"For the treatment of infections due to all species of schistosoma.","Toxicity":"","MechanismOfAction":"Praziquantel works by causing severe spasms and paralysis of the worms' muscles. This paralysis is accompanied - and probably caused - by a rapid Ca 2+ influx inside the schistosome. Morphological alterations are another early effect of praziquantel. These morphological alterations are accompanied by an increased exposure of schistosome antigens at the parasite surface. The worms are then either completely destroyed in the intestine or passed in the stool. An interesting quirk of praziquantel is that it is relatively ineffective against juvenile schistosomes. While initially effective, effectiveness against schistosomes decreases until it reaches a minimum at 3-4 weeks. Effectiveness then increases again until it is once again fully effective at 6-7 weeks. Glutathione S-transferase (GST), an essential detoxification enzyme in parasitic helminths, is a major vaccine target and a drug target against schistosomiasis. Schistosome calcium ion channels are currently the only known target of praziquantel. ","Pharmacodynamics":"Praziquantel is an anthelmintic used in most schistosome and many cestode infestations. Praziquantel effects the permeability of the cell membrane resulting in the contraction of schistosomes. The drug further causes vacuolization and disintegration of the schistosome tegument. The effect is more marked on adult worms compared to young worms. An increased calcium influx may play an important role. Secondary effects are inhibition of glucose uptake, lowering of glycogen levels and stimulation of lactate release. The action of praziquantel is limited very specifically to trematodes and cestodes; nematodes (including filariae) are not affected.","Absorption":"Rapidly absorbed (80%)","Interactions":[{"ID":"DB00564"},{"ID":"DB00608"},{"ID":"DB06414"},{"ID":"DB06414"},{"ID":"DB00252"},{"ID":"DB01045"},{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01059","Name":"Norfloxacin","DrugType":"small molecule","HalfLife":"3-4 hours","Description":"A synthetic fluoroquinolone (fluoroquinolones) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA gyrase. [PubChem]","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of urinary tract infection","Toxicity":"","MechanismOfAction":"The bactericidal action of Norfloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, and recombination. Norfloxacin is a broad-spectrum antibiotic that is active against both gram-positive and gram-negative bacterias. The fluorine atom at the 6 position increases potency against gram-negative organisms, and the piperazine moiety at the 7 position is responsible for anti-pseudomonal activity","Pharmacodynamics":"Norfloxacin is a quinolone/fluoroquinolone antibiotic. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase, which allows the untwisting required to replicate one DNA double helix into two. Notably the drug has 100 times higher affinity for bacterial DNA gyrase than for mammalian.","Absorption":"Rapid","Interactions":[{"ID":"DB01418"},{"ID":"DB01370"},{"ID":"DB01223"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB00201"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB00363"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB00651"},{"ID":"DB00529"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB06708"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB01303"},{"ID":"DB00364"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00706"},{"ID":"DB00277"},{"ID":"DB01623"},{"ID":"DB00697"},{"ID":"DB01036"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB01593"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01060","Name":"Amoxicillin","DrugType":"small molecule","HalfLife":"61.3 minutes","Description":"A broad-spectrum semisynthetic antibiotic similar to ampicillin except that its resistance to gastric acid permits higher serum levels with oral administration. Amoxicillin is commonly prescribed with clauvanic acid (a beta lactamase inhibitor) as it is susceptible to beta-lacatamase degradation. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of infections of the ear, nose, and throat, the genitourinary tract, the skin and skin structure, and the lower respiratory tract due to susceptible (only b-lactamase-negative) strains of \u003ci\u003eStreptococcus\u003c/i\u003e spp. (a- and b-hemolytic strains only), \u003ci\u003eS. pneumoniae\u003c/i\u003e, \u003ci\u003eStaphylococcus\u003c/i\u003e spp., \u003ci\u003eH. influenzae\u003c/i\u003e, \u003ci\u003eE. coli\u003c/i\u003e, \u003ci\u003eP. mirabilis\u003c/i\u003e, or \u003ci\u003eE. faecalis\u003c/i\u003e. Also for the treatment of acute, uncomplicated gonorrhea (ano-genital and urethral infections) due to \u003ci\u003eN. gonorrhoeae\u003c/i\u003e (males and females).","Toxicity":"Serious toxicity is unlikely following large doses of amoxicillin. Acute ingestion of large doses of amoxicillin may cause nausea, vomiting, diarrhea and abdominal pain. Acute oliguric renal failure and hematuria may occur following large doses.","MechanismOfAction":"Amoxicillin binds to penicillin-binding protein 1A (PBP-1A) located inside the bacterial cell well. Penicillins acylate the penicillin-sensitive transpeptidase C-terminal domain by opening the lactam ring. This inactivation of the enzyme prevents the formation of a cross-link of two linear peptidoglycan strands, inhibiting the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that amoxicllin interferes with an autolysin inhibitor.","Pharmacodynamics":"Amoxicillin is a moderate-spectrum antibiotic active against a wide range of Gram-positive, and a limited range of Gram-negative organisms. It is usually the drug of choice within the class because it is better absorbed, following oral administration, than other beta-lactam antibiotics. Amoxicillin is susceptible to degradation by \u0026beta;-lactamase-producing bacteria, and so may be given with clavulanic acid to increase its susceptability. The incidence of \u0026beta;-lactamase-producing resistant organisms, including \u003ci\u003eE. coli\u003c/i\u003e, appears to be increasing. Amoxicillin is sometimes combined with clavulanic acid, a \u0026beta;-lactamase inhibitor, to increase the spectrum of action against Gram-negative organisms, and to overcome bacterial antibiotic resistance mediated through \u0026beta;-lactamase production.","Absorption":"Rapidly absorbed after oral administration.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT000868","Name":"Amoxicillin sodium"},{"ID":"DBSALT000867","Name":"Amoxycillin trihydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01061","Name":"Azlocillin","DrugType":"small molecule","HalfLife":"Mean elimination half-life is 1.3 to 1.5 hours. Longer in neonates, and 2 to 6 hours in patients with renal impairment.","Description":"A semisynthetic ampicillin-derived acylureido penicillin. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of infections caused by \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e, \u003ci\u003eEscherichia coli\u003c/i\u003e, and \u003ci\u003eHaemophilus influenzae\u003c/i\u003e.","Toxicity":"","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, azlocillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that azlocillin interferes with an autolysin inhibitor.","Pharmacodynamics":"Azlocillin, similar to mezlocillin and piperacillin, is an acylampicillin with an extended spectrum of activity and greater in vitro potency than the carboxy penicillins. Azlocillin demonstrates antibacterial activity against a broad spectrum of bacteria, including \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e, and, in contrast to most cephalosporins, exhibits activity against enterococci.","Absorption":"Not significantly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01017"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT000431","Name":"Azlocillin sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01062","Name":"Oxybutynin","DrugType":"small molecule","HalfLife":"12.4-13.2 hours","Description":"Oxybutynin is an anticholinergic medication used to relieve urinary and bladder difficulties, including frequent urination and inability to control urination, by decreasing muscle spasms of the bladder. It competitively antagonizes the M1, M2, and M3 subtypes of the muscarinic acetylcholine receptor.","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For the treatment of overactive bladder.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=1220 mg/kg (Orally in rats, Goldenthal)","MechanismOfAction":"Oxybutynin exerts a direct antispasmodic effect on smooth muscle and inhibits the muscarinic action of acetylcholine on smooth muscle. No blocking effects occur at skeletal neuromuscular junctions or autonomic ganglia (antinicotinic effects). By inhibiting particularily the M1 and M2 receptors of the bladder, detrusor activity is markedly decreased.","Pharmacodynamics":"Oxybutynin is an antispasmodic, anticholinergic agent indicated for the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and frequency. Oxybutynin relaxes bladder smooth muscle. Oxybutynin exhibits only one-fifth of the anticholinergic activity of atropine on the rabbit detrusor muscle, but four to ten times the antispasmodic activity. Antimuscarinic activity resides predominantly in the R-isomer.","Absorption":"Rapidly absorbed from gastrointestinal tract.","Interactions":[{"ID":"DB00564"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000430","Name":"Oxybutynin Chloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01063","Name":"Acetophenazine","DrugType":"small molecule","HalfLife":"","Description":"Acetophenazine is an antipsychotic drug of moderate-potency. It is used in the treatment of disorganized and psychotic thinking. It is also used to help treat false perceptions (e.g. hallucinations or delusions). It primarily targets the dopamine D2 receptor.","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the treatment of disorganized and psychotic thinking. Also used to help treat false perceptions (e.g. hallucinations or delusions.)","Toxicity":"","MechanismOfAction":"Acetophenazine blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis.","Pharmacodynamics":"Acetophenzine is a phenothiazine antipsychotic intended for the management of schizophrenia and other psychotic disorders.","Absorption":"","Interactions":[{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB00937"},{"ID":"DB00574"},{"ID":"DB01170"},{"ID":"DB00579"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00382"},{"ID":"DB00342"},{"ID":"DB04844"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01064","Name":"Isoprenaline","DrugType":"small molecule","HalfLife":"","Description":"Isopropyl analog of epinephrine; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant. [PubChem]","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the treatment of mild or transient episodes of heart block that do not require electric shock or pacemaker therapy also used in management of asthma and chronic bronchitis","Toxicity":"","MechanismOfAction":"The pharmacologic effects of isoproterenol are at least in part attributable to stimulation through beta-adrenergic receptors of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic AMP. Increased cyclic AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.","Pharmacodynamics":"Isoproterenol is a relatively selective beta2-adrenergic bronchodilator. Isoproterenol is indicated for the relief of bronchospasm associated with chronic obstructive pulmonary disease. The pharmacologic effects of beta adrenergic agonist drugs, including Isoproterenol, are at least in part attributable to stimulation through beta adrenergic receptors of intracellular adenyl cyclase, the enzyme which catalyzes the conversion of adenosine triphosphate (ATP) to cyclic- 3',5'- adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.","Absorption":"","Interactions":[{"ID":"DB01193"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00494"},{"ID":"DB00187"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00598"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00264"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB01203"},{"ID":"DB00540"},{"ID":"DB01580"},{"ID":"DB00780"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00373"}],"Salts":[{"ID":"DBSALT000429","Name":"Isoprenaline Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00663","Drugs":["DB01064","DB01345","DB01373"]}]},{"ID":"DB01065","Name":"Melatonin","DrugType":"small molecule","HalfLife":"35 to 50 minutes","Description":"Melatonin is a biogenic amine that is found in animals, plants and microbes. Aaron B. Lerner of Yale University is credited for naming the hormone and for defining its chemical structure in 1958. In mammals, melatonin is produced by the pineal gland. The pineal gland is small endocrine gland, about the size of a rice grain and shaped like a pine cone (hence the name), that is located in the center of the brain (rostro-dorsal to the superior colliculus) but outside the blood-brain barrier. The secretion of melatonin increases in darkness and decreases during exposure to light, thereby regulating the circadian rhythms of several biological functions, including the sleep-wake cycle. In particular, melatonin regulates the sleep-wake cycle by chemically causing drowsiness and lowering the body temperature. Melatonin is also implicated in the regulation of mood, learning and memory, immune activity, dreaming, fertility and reproduction. Melatonin is also an effective antioxidant. Most of the actions of melatonin are mediated through the binding and activation of melatonin receptors. Individuals with autism spectrum disorders (ASD) may have lower than normal levels of melatonin. A 2008 study found that unaffected parents of individuals with ASD also have lower melatonin levels, and that the deficits were associated with low activity of the ASMT gene, which encodes the last enzyme of melatonin synthesis. Reduced melatonin production has also been proposed as a likely factor in the significantly higher cancer rates in night workers.","Classification":{"Description":"This compound belongs to the serotonins. These are compounds containing a serotonin moiety, which conists of an indole that bears an aminoethyl a position 2 and an hydroxyl group at position 5.","DirectParent":"Serotonins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"Used orally for jet lag, insomnia, shift-work disorder, circadian rhythm disorders in the blind (evidence for efficacy), and benzodiazepine and nicotine withdrawal. Evidence indicates that melatonin is likely effective for treating circadian rhythm sleep disorders in blind children and adults. It has received FDA orphan drug status as an oral medication for this use. A number of studies have shown that melatonin may be effective for treating sleep-wake cycle disturbances in children and adolescents with mental retardation, autism, and other central nervous system disorders. It appears to decrease the time to fall asleep in children with developmental disabilities, such as cerebral palsy, autism, and mental retardation. It may also improve secondary insomnia associated with various sleep-wake cycle disturbances. Other possible uses for which there is some evidence for include: benzodiazepine withdrawal, cluster headache, delayed sleep phase syndrome (DSPS), primary insomnia, jet lag, nicotine withdrawal, preoperative anxiety and sedation, prostate cancer, solid tumors (when combined with IL-2 therapy in certain cancers), sunburn prevention (topical use), tardive dyskinesia, thrombocytopenia associated with cancer, chemotherapy and other disorders. ","Toxicity":"\u003cp\u003eGenerally well-tolerated when taken orally. The most common side effects, day-time drowsiness, headache and dizziness, appear to occur at the same frequency as with placebo. Other reported side effects include transient depressive symptoms, mild tremor, mild anxiety, abdominal cramps, irritability, reduced alertness, confusion, nausea, vomiting, and hypotension. Safety in Adults: Evidence indicates that it is likely safe to use in oral and parenteral forms for up to two months when used appropriately. Some evidence indicates that it can be safely used orally for up to 9 months in some patients. It is also likely safe to use topically when used appropriately. Safety in Children: Melatonin appeared to be used safely in small numbers of children enrolled in short-term clinical trials. However, concerns regarding safety in children have arisen based on their developmental state. Compared to adults over 20 years of age, people under 20 produce high levels of melatonin. Melatonin levels are inversely related to gonadal development and it is thought that exogenous administration of melatonin may adversely affect gonadal development. Safety during Pregnancy: High doses of melatonin administered orally or parenterally may inhibit ovulation. Not advised for use in individuals who are pregnant or trying to become pregnant. Safety during Lactation: Not recommended as safety has not be established.\u003c/p\u003e\r\n\u003cp\u003eOral, rat: LD\u003csub\u003e50\u003c/sub\u003e \u0026ge;3200 mg/kg\u003c/p\u003e\r\n","MechanismOfAction":"Melatonin is a derivative of tryptophan. It binds to melatonin receptor type 1A, which then acts on adenylate cylcase and the inhibition of a cAMP signal transduction pathway. Melatonin not only inhibits adenylate cyclase, but it also activates phosphilpase C. This potentiates the release of arachidonate. By binding to melatonin receptors 1 and 2, the downstream signallling cascades have various effects in the body. The melatonin receptors are G protein-coupled receptors and are expressed in various tissues of the body. There are two subtypes of the receptor in humans, melatonin receptor 1 (MT1) and melatonin receptor 2 (MT2). Melatonin and melatonin receptor agonists, on market or in clinical trials, all bind to and activate both receptor types.The binding of the agonists to the receptors has been investigated for over two decades or since 1986. It is somewhat known, but still not fully understood. When melatonin receptor agonists bind to and activate their receptors it causes numerous physiological processes.\r\nMT1 receptors are expressed in many regions of the central nervous system (CNS): suprachiasmatic nucleus of the hypothalamus (SNC), hippocampus, substantia nigra, cerebellum, central dopaminergic pathways, ventral tegmental area and nucleus accumbens. MT1 is also expressed in the retina, ovary, testis, mammary gland, coronary circulation and aorta, gallbladder, liver, kidney, skin and the immune system. MT2 receptors are expressed mainly in the CNS, also in the lung, cardiac, coronary and aortic tissue, myometrium and granulosa cells, immune cells, duodenum and adipocytes.\r\nThe binding of melatonin to melatonin receptors activates a few signaling pathways. MT1 receptor activation inhibits the adenylyl cyclase and its inhibition causes a rippling effect of non activation; starting with decreasing formation of cyclic adenosine monophosphate (cAMP), and then progressing to less protein kinase A (PKA) activity, which in turn hinders the phosphorilation of cAMP responsive element-binding protein (CREB binding protein) into P-CREB. MT1 receptors also activate phospholipase C (PLC), affect ion channels and regulate ion flux inside the cell. The binding of melatonin to MT2 receptors inhibits adenylyl cyclase which decreases the formation of cAMP.[4] As well it hinders guanylyl cyclase and therefore the forming of cyclic guanosine monophosphate (cGMP). Binding to MT2 receptors probably affects PLC which increases protein kinase C (PKC) activity. Activation of the receptor can lead to ion flux inside the cell.","Pharmacodynamics":"Melatonin is a hormone normally produced in the pineal gland and released into the blood. The essential amino acid L-tryptophan is a precursor in the synthesis of melatonin. It helps regulate sleep-wake cycles or the circadian rhythm. Production of melatonin is stimulated by darkness and inhibited by light. High levels of melatonin induce sleep and so consumption of the drug can be used to combat insomnia and jet lag.\r\nMT1 and MT2 receptors may be a target for the treatment of circadian and non circadian sleep disorders because of their differences in pharmacology and function within the SCN. SCN is responsible for maintaining the 24 hour cycle which regulates many different body functions ranging from sleep to immune functions\r\n","Absorption":"The absorption and bioavailability of melatonin varies widely.","Interactions":[{"ID":"DB01115"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00063","Drugs":["DB00118","DB00142","DB00150","DB00160","DB01065","DB01592","DB02959","DB03644"]}]},{"ID":"DB01066","Name":"Cefditoren","DrugType":"small molecule","HalfLife":"Mean terminal elimination half-life is 1.6 \u0026plusmn; 0.4 hours in young healthy adults.","Description":"Cefditoren is a third-generation cephalosporin antibiotic for oral use. It is commonly marketed under the trade name Spectracef by Cornerstone BioPharma.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of mild to moderate infections in adults and adolescents (12 years of age or older) which are caused by susceptible strains of microorganisms in acute bacterial exacerbation of chronic bronchitis, community-acquired pneumonia, pharyngitis/tonsillitis, and uncomplicated skin and skin-structure infections.","Toxicity":"Information on cefditoren pivoxil overdosage in humans is not available. However, with other b-lactam antibiotics, adverse effects following overdosage have included nausea, vomiting, epigastric distress, diarrhea, and convulsions. In acute animal toxicity studies, cefditoren pivoxil when tested at the limit oral doses of 5100 mg/kg in rats and up to 2000 mg/kg in dogs did not exhibit any health effects of concern.","MechanismOfAction":"The bactericidal activity of cefditoren results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cefditoren is stable in the presence of a variety of b-lactamases, including penicillinases and some cephalosporinases.","Pharmacodynamics":"Cefditoren pivoxil is a prodrug which is hydrolyzed by esterases during absorption, and the drug is distributed in the circulating blood as active cefditoren. Cefditoren is a cephalosporin with antibacterial activity against gram-positive and gram-negative pathogens. Cefditoren is effective against \u003ci\u003eStaphylococcus aureus\u003c/i\u003e (methicillin-susceptible strains, including b-lactamase-producing strains), penicillin-susceptible strains of \u003ci\u003eStaphylococcus aureus\u003c/i\u003e and \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e (including b-lactamase-producing strains), \u003ci\u003eHaemophilus parainfluenzae\u003c/i\u003e (including b-lactamase-producing strains), \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e (including b-lactamase-producing strains), \u003ci\u003eStreptococcus agalactiae\u003c/i\u003e, \u003ci\u003eStreptococcus\u003c/i\u003e Groups C and G, and \u003ci\u003eStreptococcus\u003c/i\u003e, viridans group (penicillin-susceptible and -intermediate strains).","Absorption":"Following oral administration, cefditoren pivoxil is absorbed from the gastrointestinal tract and hydrolyzed to cefditoren by esterases. Under fasting conditions, the estimated absolute bioavailability of cefditoren pivoxil is approximately 14%. The absolute bioavailability of cefditoren pivoxil administered with a low fat meal (693 cal, 14 g fat, 122 g carb, 23 g protein) is 16.1 \u0026plusmn; 3.0%.","Interactions":[{"ID":"DB00501"},{"ID":"DB00736"},{"ID":"DB00927"},{"ID":"DB00448"},{"ID":"DB00585"},{"ID":"DB00338"},{"ID":"DB00213"},{"ID":"DB01129"},{"ID":"DB00863"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01067","Name":"Glipizide","DrugType":"small molecule","HalfLife":"2-5 hours","Description":"An oral hypoglycemic agent which is rapidly absorbed and completely metabolized. [PubChem]","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For use as an adjunct to diet for the control of hyperglycemia and its associated symptomatology in patients with non-insulin-dependent diabetes mellitus (NIDDM; type II), formerly known as maturity-onset diabetes, after an adequate trial of dietary therapy has proved unsatisfactory.","Toxicity":"The acute oral toxicity was extremely low in all species tested (LD50 greater than 4 g/kg). Overdosage of sulfonylureas including glipizide can produce hypoglycemia.","MechanismOfAction":"Sulfonylureas likely bind to ATP-sensitive potassium-channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Depolarization stimulates calcium ion influx through voltage-sensitive calcium channels, raising intracellular concentrations of calcium ions, which induces the secretion, or exocytosis, of insulin.","Pharmacodynamics":"Glipizide, a second-generation sulfonylurea, is used with diet to lower blood glucose in patients with diabetes mellitus type II. The primary mode of action of glipizide in experimental animals appears to be the stimulation of insulin secretion from the beta cells of pancreatic islet tissue and is thus dependent on functioning beta cells in the pancreatic islets. In humans glipizide appears to lower the blood glucose acutely by stimulating the release of insulin from the pancreas, an effect dependent upon functioning beta cells in the pancreatic islets. In man, stimulation of insulin secretion by glipizide in response to a meal is undoubtedly of major importance. Fasting insulin levels are not elevated even on long-term glipizide administration, but the postprandial insulin response continues to be enhanced after at least 6 months of treatment. Some patients fail to respond initially, or gradually lose their responsiveness to sulfonylurea drugs, including glipizide.","Absorption":"Gastrointestinal absorption is uniform, rapid, and essentially complete.","Interactions":[{"ID":"DB01193"},{"ID":"DB00945"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00446"},{"ID":"DB00636"},{"ID":"DB00091"},{"ID":"DB00187"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB00812"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB00052"},{"ID":"DB00373"},{"ID":"DB01124"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01068","Name":"Clonazepam","DrugType":"small molecule","HalfLife":"30-40 hours","Description":"An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of gamma-aminobutyric acid receptor responses. [PubChem]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Clonazepam is used as an anticonvulsant in the treatment of the Lennox-Gastaut syndrome (petit mal variant), akinetic and myoclonic seizures. It can also be used for the treatment of panic disorders. ","Toxicity":"Somnolence, confusion, coma, and diminished reflexes. The most commonly reported adverse event when clonazepam is used for seizure disorders is CNS depression. \r\nLD50, oral, rats = \u003e15000 mg/kg. ","MechanismOfAction":"Allosteric interactions between central benzodiazepine receptors and gamma-aminobutyric acid (GABA) receptors potentiate the effects of GABA. As GABA is an inhibitory neurotransmitter, this results in increased inhibition of the ascending reticular activating system. Benzodiazepines, in this way, block the cortical and limbic arousal that occurs following stimulation of the reticular pathways.","Pharmacodynamics":"Clonazepam, a benzodiazepine, is used primarily as an anticonvulsant in the treatment of absence seizures, petit mal variant seizures (Lennox-Gastaut syndrome), akinetic and myoclonic seizures, and nocturnal myoclonus. It enhances the activity of gamma aminobutyric acid (GABA), which is a major inhibitory neurotransmitter in the central nervous system. In animals, convulsions are antagonized occurs following administration of clonazepam. In humans, clonazepam suppresses the spike and wave discharge in absence seizures (petit mal) and decreases the frequency, amplitude, duration, and spread of discharge in minor motor seizures. ","Absorption":"Clonazepam is rapidly and completely absorbed after oral administration. The absolute bioavailability of clonazepam is about 90%. \r\nCmax, oral administration = 1 -4 hours. ","Interactions":[{"ID":"DB00501"},{"ID":"DB00363"},{"ID":"DB00196"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01323"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB01080"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01069","Name":"Promethazine","DrugType":"small molecule","HalfLife":"16-19 hours","Description":"A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals. [PubChem]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the treatment of allergic disorders, and nausea/vomiting.","Toxicity":"Symptoms of overdose include mild depression of the central nervous system and cardiovascular system to profound hypotension, respiratory depression, unconsciousness, and sudden death. Other reported reactions include hyperreflexia, hypertonia, ataxia, athetosis, and extensor-plantar reflexes (Babinski reflex). LD\u003csub\u003e50\u003c/sub\u003e=55mg/kg (I.V. in mice)","MechanismOfAction":"Like other H1-antagonists, promethazine competes with free histamine for binding at H1-receptor sites in the GI tract, uterus, large blood vessels, and bronchial muscle. The relief of nausea appears to be related to central anticholinergic actions and may implicate activity on the medullary chemoreceptor trigger zone.","Pharmacodynamics":"Promethazine, a phenothiazine, is an H1-antagonist with anticholinergic, sedative, and antiemetic effects and some local anesthetic properties. Promethazine is used as an antiemetic or to prevent motion sickness.","Absorption":"On average, 88% of a promethazine dose is absorbed after oral administration; however, the absolute bioavailability is only 25% because of first-pass clearance.","Interactions":[{"ID":"DB00182"},{"ID":"DB00865"},{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB06700"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01137"},{"ID":"DB00579"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00989"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB04572"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000427","Name":"Promethazine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01070","Name":"Dihydrotachysterol","DrugType":"small molecule","HalfLife":"","Description":"A vitamin D that can be regarded as a reduction product of vitamin D2. [PubChem]","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"Used for the prevention and treatment of rickets or osteomalacia, and to manage hypocalcemia associated with hypoparathyroidism or pseudohypoparathyroidism. Also used for the treatment of vitamin D dependent rickets, rickets or osteomalacia secondary to long-term high dose anticonvulsant therapy, early renal osteodystrophy, osteoporosis (in conjunction with calcium), and hypophosphatemia associated with Fanconi syndrome (with treatment of acidosis).","Toxicity":"Toxicity associated with dihydrotachysterol is similar to that seen with large doses of vitamin D.","MechanismOfAction":"Once hydroxylated to 25-hydroxydihydrotachysterol, the modified drug binds to the vitamin D receptor. The bound form of the vitamin D receptor serves as a transcriptional regulator of bone matrix proteins, inducing the expression of osteocalcin and suppressing synthesis of type I collagen. Vitamin D (when bound to the vitamin D receptor)stimulates the expression of a number of proteins involved in transporting calcium from the lumen of the intestine, across the epithelial cells and into blood. This stimulates intestinal calcium absorption and increases renal phosphate excretion. These are functions that are normally carried out by the parathyroid hormone. ","Pharmacodynamics":"Dihydrotachysterol is hydroxylated in the liver to 25-hydroxydihydrotachysterol, which is the major circulating active form of the drug. It does not undergo further hydroxylation by the kidney and therefore is the analogue of 1, 25-dihydroxyvitamin D. Dihydrotachysterol is effective in the elevation of serum calcium by stimulating intestinal calcium absorption and mobilizing bone calcium in the absence of parathyroid hormone and of functioning renal tissue. Dihydrotachysterol also increases renal phosphate excretion.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01071","Name":"Mequitazine","DrugType":"small molecule","HalfLife":"","Description":"Mequitazine is a histamine H1 antagonist (antihistamine). It competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the treatment of Hay fever, urticaria (hives) and allergic rhinitis","Toxicity":"","MechanismOfAction":"Mequitazine binds to the histamine H1 receptor sites on effector cells in the gastrointestinal tract, blood vessels, and respiratory tract. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"In allergic reactions an allergen interacts with and cross-links surface IgE antibodies on mast cells and basophils. Once the mast cell-antibody-antigen complex is formed, a complex series of events occurs that eventually leads to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H\u003csub\u003e1\u003c/sub\u003e-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Mequitazine is a histamine H1 antagonist. It competes with histamine for the normal H\u003csub\u003e1\u003c/sub\u003e-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01072","Name":"Atazanavir","DrugType":"small molecule","HalfLife":"Elimination half-life in adults (healthy and HIV infected) is approximately 7 hours (following a 400 mg daily dose with a light meal). Elimination half-life in hepatically impaired is 12.1 hours (following a single 400 mg dose).","Description":"Atazanavir (formerly known as BMS-232632) is an antiretroviral drug of the protease inhibitor (PI) class. Like other antiretrovirals, it is used to treat infection of human immunodeficiency virus (HIV). Atazanavir is distinguished from other PIs in that it can be given once-daily (rather than requiring multiple doses per day) and has lesser effects on the patient's lipid profile (the amounts of cholesterol and other fatty substances in the blood). Like other protease inhibitors, it is used only in combination with other HIV medications. The U.S. Food and Drug Administration (FDA) approved atazanavir on June 20, 2003. [Wikipedia]","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission.","Toxicity":"","MechanismOfAction":"Atazanavir selectively inhibits the virus-specific processing of viral Gag and Gag-Pol polyproteins in HIV-1 infected cells by binding to the active site of HIV-1 protease, thus preventing the formation of mature virions. Atazanavir is not active against HIV-2.","Pharmacodynamics":"Atazanavir (ATV) is an azapeptide HIV-1 protease inhibitor (PI) with activity against Human Immunodeficiency Virus Type 1 (HIV-1). HIV-1 protease is an enzyme required for the proteolytic cleavage of the viral polyprotein precursors into the individual functional proteins found in infectious HIV-1. Atazanavir binds to the protease active site and inhibits the activity of the enzyme. This inhibition prevents cleavage of the viral polyproteins resulting in the formation of immature non-infectious viral particles. Protease inhibitors are almost always used in combination with at least two other anti-HIV drugs. Atazanivir is pharmacologically related but structurally different from other protease inhibitors and other currently available antiretrovirals.","Absorption":"Atazanavir is rapidly absorbed with a T\u003csub\u003emax\u003c/sub\u003e of approximately 2.5 hours. Administration of atazanavir with food enhances bioavailability and reduces pharmacokinetic variability. Oral bioavailability is 60-68%.","Interactions":[{"ID":"DB01048"},{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB01370"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01125"},{"ID":"DB01076"},{"ID":"DB01244"},{"ID":"DB01294"},{"ID":"DB01558"},{"ID":"DB00921"},{"ID":"DB06772"},{"ID":"DB01373"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB01151"},{"ID":"DB00266"},{"ID":"DB00320"},{"ID":"DB01341"},{"ID":"DB01375"},{"ID":"DB00343"},{"ID":"DB01142"},{"ID":"DB00625"},{"ID":"DB06210"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB00736"},{"ID":"DB06414"},{"ID":"DB00927"},{"ID":"DB00458"},{"ID":"DB00224"},{"ID":"DB00762"},{"ID":"DB00448"},{"ID":"DB00281"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00653"},{"ID":"DB00353"},{"ID":"DB00683"},{"ID":"DB00238"},{"ID":"DB00585"},{"ID":"DB00540"},{"ID":"DB00338"},{"ID":"DB00213"},{"ID":"DB01100"},{"ID":"DB08860"},{"ID":"DB00344"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01129"},{"ID":"DB00980"},{"ID":"DB00863"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00203"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB01390"},{"ID":"DB01323"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00300"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB06684"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":[{"ID":"DBSALT000426","Name":"Atazanavir sulfate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01073","Name":"Fludarabine","DrugType":"small molecule","HalfLife":"20 hours","Description":"Fludarabine (marketed as fludarabine phosphate under the trade name Fludara) is a chemotherapy drug used in the treatment of hematological malignancies. [Wikipedia]","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of adult patients with B-cell chronic lymphocytic leukemia (CLL) who have not responded to or whose disease has progressed during treatment with at least one standard alkylating-agent containing regimen","Toxicity":"","MechanismOfAction":"Fludarabine phosphate is rapidly dephosphorylated to 2-fluoro-ara-A and then phosphorylated intracellularly by deoxycytidine kinase to the active triphosphate, 2-fluoro-ara-ATP. This metabolite appears to act by inhibiting DNA polymerase alpha, ribonucleotide reductase and DNA primase, thus inhibiting DNA synthesis. The mechanism of action of this antimetabolite is not completely characterized and may be multi-faceted.","Pharmacodynamics":"Fludarabine is a chemotherapy drug used in the treatment of chronic lymphocytic leukemia. It acts at DNA polymerase alpha, ribonucleotide reductase and DNA primase, results in the inhibition of DNA synthesis, and destroys the cancer cells.","Absorption":"Bioavailability is 55% following oral administration.","Interactions":[{"ID":"DB00975"},{"ID":"DB00552"},{"ID":"DB00072"}],"Salts":[{"ID":"DBSALT000425","Name":"Fludarabine monophosphate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01074","Name":"Perhexiline","DrugType":"small molecule","HalfLife":"Variable and non-linear. Some reports show a half-life of 2-6 days, others indicate it could be as high as 30 days.","Description":"2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis. [PubChem]","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"For the management of severe angina pectoris.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e rat: 2150 mg/kg; Oral LD\u003csub\u003e50\u003c/sub\u003e Mouse: 2641 mg/kg. Short term adverse effects include nausea, transient dizziness, hypoglycaemia in diabetic patients, and torsade de pointes (rare).","MechanismOfAction":"Perhexiline binds to the mitochondrial enzyme carnitine palmitoyltransferase (CPT)-1 and CPT-2. It acts by shifting myocardial substrate utilisation from long chain fatty acids to carbohydrates through inhibition of CPT-1 and, to a lesser extent, CPT-2, resulting in increased glucose and lactate utilization. This results in increased ATP production for the same O2 consumption as before and consequently increases myocardial efficiency.","Pharmacodynamics":"Used in the treatment of unresponsive or refractory angina. Perhexiline increases glucose metabolism at the expense of free-fatty-acid metabolism, enhancing oxygen efficiency during myocardial ischaemia. Perhexiline also potentiates platelet responsiveness to nitric oxide both in patients with angina and patients with acute coronary syndrome. The predominant mechanism of this particular perhexiline effect is an increase in platelet cGMP responsiveness. Perhexiline also may reduce the potential for nitric oxide clearance by neutrophil-derived oxygen. Perhexiline relieves symptoms of angina, improves exercise tolerance, and increases the workload needed to induce ischaemia when used as monotherapy. The primary therapeutic roles for perhexiline are as short-term therapy (less than 3 months duration) in patients with severe ischaemia awaiting coronary revascularisation or long-term therapy in patients with ischaemic symptoms refractory to other therapeutic measures.","Absorption":"Well absorbed (\u003e80%) from the gastrointestinal tract following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01075","Name":"Diphenhydramine","DrugType":"small molecule","HalfLife":"1-4 hours","Description":"A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of symptoms associated with Vertigo/Meniere's disease, nausea and vomiting, motion sickness and insect bite.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=500 mg/kg (orally in rats). Considerable overdosage can lead to myocardial infarction (heart attack), serious ventricular dysrhythmias, coma and death.","MechanismOfAction":"Diphenhydramine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding.","Pharmacodynamics":"Diphenhydramine is an antihistamine of the ethanolamine class. Ethanolamine antihistamines have significant antimuscarinic activity and produce marked sedation in most patients. In addition to the usual allergic symptoms, the drug also treats irritant cough and nausea, vomiting, and vertigo associated with motion sickness. It also is used commonly to treat drug-induced extrapyramidal symptoms as well as to treat mild cases of Parkinson's disease. Rather than preventing the release of histamine, as do cromolyn and nedocromil, diphenhydramine competes with free histamine for binding at HA-receptor sites. Diphenhydramine competitively antagonizes the effects of histamine on HA-receptors in the GI tract, uterus, large blood vessels, and bronchial muscle. Ethanolamine derivatives have greater anticholinergic activity than do other antihistamines, which probably accounts for the antidyskinetic action of diphenhydramine. This anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown.","Absorption":"Quickly absorbed with maximum activity occurring in approximately one hour.","Interactions":[{"ID":"DB00289"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00933"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00679"},{"ID":"DB00193"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000056","Name":"Diphenhydramine Hydrochloride"},{"ID":"DBSALT000057","Name":"Diphenhydramine Salicylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01076","Name":"Atorvastatin","DrugType":"small molecule","HalfLife":"14 hours, but half-life of HMG-CoA inhibitor activity is 20-30 hours due to longer-lived active metabolites","Description":"Atorvastatin (Lipitor) is a member of the drug class known as statins. It is used for lowering cholesterol. Atorvastatin is a competitive inhibitor of hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase, the rate-determining enzyme in cholesterol biosynthesis via the mevalonate pathway. HMG-CoA reductase catalyzes the conversion of HMG-CoA to mevalonate. Atorvastatin acts primarily in the liver. Decreased hepatic cholesterol levels increases hepatic uptake of cholesterol and reduces plasma cholesterol levels. ","Classification":{"Description":"This compound belongs to the diphenylpyrroles. These are aromatic heterocyclic compounds whose structure is based on a pyrrole ring linked to exactly two phenyl groups.","DirectParent":"Diphenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"May be used as primary prevention in individuals with multiple risk factors for coronary heart disease (CHD) and as secondary prevention in individuals with CHD to reduce the risk of myocardial infarction (MI), stroke, angina, and revascularization procedures. May be used to reduce the risk of cardiovascular events in patients with acute coronary syndrome (ACS). May be used in the treatment of primary hypercholesterolemia and mixed dyslipidemia, homozygous familial hypercholesterolemia, primary dysbetalipoproteinemia, and/or hypertriglyeridemia as an adjunct to dietary therapy to decrease serum total and low-density lipoprotein cholesterol (LDL-C), apolipoprotein B (apoB), and triglyceride concentrations, while increasing high-density lipoprotein cholesterol (HDL-C) levels.","Toxicity":"Generally well-tolerated. Side effects may include myalgia, constipation, asthenia, abdominal pain, and nausea. Other possible side effects include myotoxicity (myopathy, myositis, rhabdomyolysis) and hepatotoxicity. To avoid toxicity in Asian patients, lower doses should be considered. ","MechanismOfAction":"Atorvastatin selectively and competitively inhibits the hepatic enzyme HMG-CoA reductase. As HMG-CoA reductase is responsible for converting HMG-CoA to mevalonate in the cholesterol biosynthesis pathway, this results in a subsequent decrease in hepatic cholesterol levels. Decreased hepatic cholesterol levels stimulates upregulation of hepatic LDL-C receptors which increases hepatic uptake of LDL-C and reduces serum LDL-C concentrations. ","Pharmacodynamics":"Atorvastatin, a selective, competitive HMG-CoA reductase inhibitor, is used to lower serum total and LDL cholesterol, apoB, and triglyceride levels while increasing HDL cholesterol. High LDL-C, low HDL-C and high TG concentrations in the plasma are associated with increased risk of atherosclerosis and cardiovascular disease. The total cholesterol to HDL-C ratio is a strong predictor of coronary artery disease and high ratios are associated with higher risk of disease. Increased levels of HDL-C are associated with lower cardiovascular risk. By decreasing LDL-C and TG and increasing HDL-C, atorvastatin reduces the risk of cardiovascular morbidity and mortality. Atorvastatin has a unique structure, long half-life, and hepatic selectivity, explaining its greater LDL-lowering potency compared to other HMG-CoA reductase inhibitors.","Absorption":"Atorvastatin is rapidly absorbed after oral administration with maximum plasma concentrations achieved in 1 to 2 hours. The absolute bioavailability of atorvastatin (parent drug) is approximately 14% and the systemic availability of HMG-CoA reductase inhibitory activity is approximately 30%. The low systemic bioavailability is due to presystemic clearance by gastrointestinal mucosa and first-pass metabolism in the liver. ","Interactions":[{"ID":"DB09026"},{"ID":"DB06274"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB01393"},{"ID":"DB08873"},{"ID":"DB00559"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB01394"},{"ID":"DB00091"},{"ID":"DB00705"},{"ID":"DB00343"},{"ID":"DB04855"},{"ID":"DB00625"},{"ID":"DB06210"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB01039"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB02703"},{"ID":"DB01241"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB06655"},{"ID":"DB08827"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB01369"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB01030"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000011","Name":"Atorvastatin Calcium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01077","Name":"Etidronic acid","DrugType":"small molecule","HalfLife":"In normal subjects, plasma half-life of etidronic acid, based on non-compartmental pharmacokinetics is 1 to 6 hours.","Description":"A diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover. [PubChem]","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"For the treatment of symptomatic Paget's disease of bone and in the prevention and treatment of heterotopic ossification following total hip replacement or due to spinal cord injury.","Toxicity":"Clinical experience with acute etidronic acid overdosage is extremely limited. Decreases in serum calcium following substantial overdosage may be expected in some patients. Signs and symptoms of hypocalcemia also may occur in some of these patients. Some patients may develop vomiting. In one event, an 18-year-old female who ingested an estimated single dose of 4800 to 6000 mg (67 to 100 mg/kg) of etidronate was reported to be mildly hypocalcemic (7 .5 2 mg/ dl) and experienced paresthesia of the fingers.","MechanismOfAction":"Bisphosphonates, when attached to bone tissue, are absorbed by osteoclasts, the bone cells that breaks down bone tissue. Although the mechanism of action of non-nitrogenous bisphosphonates has not been fully elucidated, available data suggest that they bind strongly to hydroxyapatite crystals in the bone matrix, preferentially at the sites of increased bone turnover and inhibit the formation and dissolution of the crystals. Other actions may include direct inhibition of mature osteoclast function, promotion of osteoclast apoptosis, and interference with osteoblast-mediated osteoclast activation. Etidronic acid does not interfere with bone mineralization. In malignancy-related hypercalcemia, etidronic acid decreases serum calcium by inhibiting tumour-induced bone resorption and reducing calcium flow from the resorbing bone into the blood. Etidronic acid also reduces morbidity of osteolytic bone metastases by inhibiting tumour-induced bone resorption. Etidronic acid may promote osteoclast apoptosis by competing with adenosine triphosphate (ATP) in the cellular energy metabolism. The osteoclast initiates apoptosis and dies, leading to an overall decrease in the breakdown of bone.","Pharmacodynamics":"Etidronic acid is a first generation (non-nitrogenous) bisphosphonate in the same family as clodronate and tiludronate. Etidronic acid affects calcium metabolism and inhibits bone resorption and soft tissue calcification. Of the etidronic acid that is resorbed (from oral preparation) or infused (for intravenous drugs), about 50% is excreted unchanged by the kidney. The remainder has a very high affinity for bone tissue, and is rapidly absorbed onto the bone surface. Etidronic acid has been shown to prevent or delay skeletal-related events and decrease bone pain as well as normalize calcium levels in the presence of hypercalcemia.","Absorption":"The amount of drug absorbed after an oral dose is approximately 3%.","Interactions":[{"ID":"DB01370"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00364"}],"Salts":[{"ID":"DBSALT000842","Name":"Etidronate disodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01078","Name":"Deslanoside","DrugType":"small molecule","HalfLife":"36 hours","Description":"Deacetyllanatoside C. A cardiotonic glycoside from the leaves of Digitalis lanata. [PubChem]","Classification":{"Description":"This compound belongs to the cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.","DirectParent":"Cardenolide Glycosides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Lactones"},"Indication":"For the treatment and management of Congestive cardiac insufficiency, arrhythmias and heart failure.","Toxicity":"Symptoms of overdose include ventricular tachycardia, ventricular fibrillation, progressive bradyarrhythmias, or heart block.","MechanismOfAction":"Deslanoside inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Deslanoside also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential.","Pharmacodynamics":"Deslanoside is a cardiac glycoside used to treat congestive heart failure and supraventricular arrhythmias due to reentry mechanisms, and to control ventricular rate in the treatment of chronic atrial fibrillation.","Absorption":"Little absorption from the gastrointestinal tract (40%).","Interactions":[{"ID":"DB00436"},{"ID":"DB00887"},{"ID":"DB00310"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB00999"},{"ID":"DB00808"},{"ID":"DB00524"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01079","Name":"Tegaserod","DrugType":"small molecule","HalfLife":"11 \u0026plusmn; 5 hours","Description":"Tegaserod is a 5-HT4 agonist manufactured by Novartis and used for the management of irritable bowel syndrome and constipation. Its use was the only drug approved by the United States Food and Drug Administration to help relieve the abdominal discomfort, bloating and constipation associated with irritable bowel syndrome. On March 30, 2007, the U.S. Food and Drug Administration requested that Novartis withdraw Zelnorm from shelves. The FDA alleges a relationship between prescriptions of the drug and increased risks of heart attack or stroke. [Wikipedia]","Classification":{"Description":"This compound belongs to the indoles and derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":""},"Indication":"Provides relief from the symptoms of irritable bowel syndrome including chronic idiopathic constipation.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat is 2000 mg/kg.","MechanismOfAction":"Tegaserod is a 5-HT\u003csub\u003e4\u003c/sub\u003e receptor partial agonist that binds with high affinity at human 5-HT\u003csub\u003e4\u003c/sub\u003e receptors, whereas it has no appreciable affinity for 5-HT\u003csub\u003e3\u003c/sub\u003e or dopamine receptors. It has moderate affinity for 5-HT\u003csub\u003e1\u003c/sub\u003e receptors. Tegaserod, by acting as an agonist at neuronal 5-HT\u003csub\u003e4\u003c/sub\u003e receptors, triggers the release of further neurotransmitters such as calcitonin gene-related peptide from sensory neurons. The activation of 5-HT\u003csub\u003e4\u003c/sub\u003e receptors in the gastrointestinal tract stimulates the peristaltic reflex and intestinal secretion, as well as inhibits visceral sensitivity.","Pharmacodynamics":"Tegaserod is indicated for the short-term treatment of women with irritable bowel syndrome (IBS) whose primary bowel symptom is constipation. Irritable bowel syndrome with constipation and chronic idiopathic constipation are both lower gastrointestinal dysmotility disorders. Clinical investigations have shown that both motor and sensory functions of the gut appear to be altered in patients suffering from irritable bowel syndrome (IBS), while in patients with chronic idiopathic constipation, reduced intestinal motility is the predominant cause of the condition. Both the enteric nervous system, which acts to integrate and process information in the gut, and 5-hydroxytryptamine (5-HT, serotonin) are thought to represent key elements in the etiology of both IBS and idiopathic constipation. Approximately 95% of serotonin is found throughout the gastrointestinal tract, primarily stored in enterochromaffin cells but also in enteric nerves acting as a neurotransmitter. Serotonin has been shown to be involved in regulating motility, visceral sensitivity and intestinal secretion. Investigations suggest an important role of serotonin Type-4 (5-HT\u003csub\u003e4\u003c/sub\u003e) receptors in the maintenance of gastrointestinal functions in humans. 5-HT\u003csub\u003e4\u003c/sub\u003e receptor mRNA has been found throughout the human gastrointestinal tract.","Absorption":"Rapidly absorbed after oral administration, with an absolute bioavailability of approximately 10%.","Interactions":null,"Salts":null,"Groups":{"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB01080","Name":"Vigabatrin","DrugType":"small molecule","HalfLife":"Neonates, 50 mg/kg = 7.5 ± 2.1 hours (due to reduced renal function); \r\nInfants = 5.7 hours;\r\nAdults = 7.5 hours;\r\nElderly = 12 - 13 hours\r\n\r\n\r\n","Description":"An analogue of gamma-aminobutyric acid, vigabatrin is an irreversible inhibitor of 4-aminobutyrate transaminase, the enzyme responsible for the catabolism of gamma-aminobutyric acid. (From Martindale The Extra Pharmacopoeia, 31st ed). Off-label uses include treatment of cocaine dependence. ","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use as an adjunct in treatment resistant epilepsy, refractory complex partial seizures, and secondary generalized seizures. It is also used as monotherapy in infantile spasms in West syndrome.","Toxicity":"LD50, oral, rat: 3000 mg/kg; \r\nVisual field defects may occur following cumulative doses in excess of 2 kg. ","MechanismOfAction":"Vigabatrin increases brain concentrations of gamma-aminobutyric acid (GABA), an inhibitory neurotransmitter in the CNS, by irreversibly inhibiting enzymes that catabolize GABA (gamma-aminobutyric acid transaminase, GABA-T). Duration of action is determined by rate of GABA-T re-synthesis. Vigabatrin may also work by suppressing repetitive neuronal firing through inhibition of voltage-sensitive sodium channels. Although administered as a racemic mixture, only the S(+) enantiomer is pharmacologically active. ","Pharmacodynamics":"Vigabatrin is an anticonvulsant chemically unrelated to other anticonvulsants. Vigabatrin prevents the catabolism of GABA by irreversibly inhibiting the enzyme GABA transaminase. It is an analog of GABA, but it is not a receptor agonist. However, vigabatrin is not a potent inhibitor of GABA-T with a Ki of 10 mM. ","Absorption":"Rapidly absorbed following oral administration, absorption is comparable between neonates, infants, and children. \r\nCmax, 50 mg/kg dose, neonates= 14 mg/L;\r\nTmax, 50 mg/kg dose, neonates = 2.1 hours;\r\nHowever, extent of absorption is higher and elimination half life is longer in neonates compared to children and infants. This is because neonates have reduced renal function compared to the aforementioned population groups. \r\nAUC, 50 mg/kg dose, neonates = 142.6 ± 44.0 mg/L/hr; \r\nFood may slightly decrease the rate (Cmax decreased by 33%, Tmax increased to 2 hours), but not the extent of absorption. Furthermore, vigabatrin does not cross the blood-brain-barrier well, thus high doses are needed. \r\n","Interactions":[{"ID":"DB01068"},{"ID":"DB01320"},{"ID":"DB00358"},{"ID":"DB01403"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00203"},{"ID":"DB00427"},{"ID":"DB00313"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01081","Name":"Diphenoxylate","DrugType":"small molecule","HalfLife":"12-14 hours","Description":"A meperidine congener used as an antidiarrheal, usually in combination with atropine. At high doses, it acts like morphine. Its unesterified metabolite difenoxin has similar properties and is used similarly. It has little or no analgesic activity. This medication is classified as a Schedule V under the Controlled Substances Act by the Food and Drug Administration (FDA) and the DEA in the United States when used in preparations. When diphenoxylate is used alone, it is classified as a Schedule II.","Classification":{"Description":"This compound belongs to the diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moeity, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.","DirectParent":"Diphenylacetonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylacetonitriles"},"Indication":"For as adjunctive therapy in the management of diarrhea","Toxicity":"Coma, dry skin and mucous membranes, enlarged pupils of the eyes, extremely high body temperature, flushing, involuntary eyeball movement, lower than normal muscle tone, pinpoint pupils, rapid heartbeat, restlessness, sluggishness, suppressed breathing","MechanismOfAction":"Diphenoxylate is an opiate receptor agonists that stimulate mu receptors in GI to decrease the peristalsis and constrict the sphincters. Diphenoxylate has a direct effect on circular smooth muscle of the bowel, that conceivably results in segmentation and prolongation of gastrointestinal transit time. The clinical antidiarrheal action of diphenoxylate may thus be a consequence of enhanced segmentation that allows increased contact of the intraluminal contents with the intestinal mucosa.","Pharmacodynamics":"Diphenoxylate, an antidiarrheal, is effective as adjunctive therapy in the management of diarrhea. Diphenoxylate is rapidly and extensively metabolized in man by ester hydrolysis to diphenoxylic acid (difenoxine), which is biologically active and the major metabolite in the blood.","Absorption":"90%","Interactions":[{"ID":"DB06274"},{"ID":"DB00843"},{"ID":"DB00674"}],"Salts":[{"ID":"DBSALT000809","Name":"Diphenoxylate Hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00675","Drugs":["DB00368","DB00988","DB01081","DB01345","DB01373"]}]},{"ID":"DB01082","Name":"Streptomycin","DrugType":"small molecule","HalfLife":"5 - 6 hours in adults with normal renal function","Description":"Streptomycin is an aminoglycoside antibiotic produced by the soil actinomycete Streptomyces griseus. It acts by binding to the 30S ribosomal subunit of susceptible organisms and disrupting the initiation and elongation steps in protein synthesis. It is bactericidal due to effects that are not fully understood. ","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For the treatment of tuberculosis. May also be used in combination with other drugs to treat tularemia (Francisella tularensis), plague (Yersia pestis), severe M. avium complex, brucellosis, and enterococcal endocarditis (e.g. E. faecalis, E. faecium).","Toxicity":"Nephrotoxic and ototoxic potential. Nephrotoxicity is caused by accumulation of the drug in proximal renal tubular cells, which results in cellular damage. Tubular cells may regenerate despite continued exposure and nephrotoxicity is usually mild and reversible. Streptomycin is the least nephrotoxic of the aminoglycosides owing to the small number of cationic amino groups in its structure. Otoxocity occurs via drug accumulation in the endolymph and perilymph of the inner ear. Accumulation causes irreversible damage to hair cells of the cochlea or summit of the ampullar cristae of the vestibular complex. High frequency hearing loss precedes low frequency hearing loss. Further toxicity may result in retrograde degeneration of the auditory nerve. Vestibular toxicity may result in vertigo, nausea and vomiting, dizziness and loss of balance. \r\nLD50=430 mg/kg (Orally in rats with Streptomycin Sulfate); Side effects include nausea, vomiting, and vertigo, paresthesia of face, rash, fever, urticaria, angioneurotic edema, and eosinophilia.","MechanismOfAction":"Aminoglycosides like Streptomycin \"irreversibly\" bind to specific 30S-subunit proteins and 16S rRNA. Specifically Streptomycin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to interference with the initiation complex, misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes.","Pharmacodynamics":"Streptomycin is an aminoglycoside antibiotic. Aminoglycosides work by binding to the bacterial 30S ribosomal subunit, causing misreading of t-RNA, leaving the bacterium unable to synthesize proteins vital to its growth. Aminoglycosides are useful primarily in infections involving aerobic, Gram-negative bacteria, such as Pseudomonas, Acinetobacter, and Enterobacter. In addition, some mycobacteria, including the bacteria that cause tuberculosis, are susceptible to aminoglycosides. Infections caused by Gram-positive bacteria can also be treated with aminoglycosides, but other types of antibiotics are more potent and less damaging to the host. In the past the aminoglycosides have been used in conjunction with penicillin-related antibiotics in streptococcal infections for their synergistic effects, particularly in endocarditis. Aminoglycosides are mostly ineffective against anaerobic bacteria, fungi and viruses.","Absorption":"Rapidly absorbed after intramuscular injection with peak serum concentrations attained after 1 - 2 hours. Not absorbed in the GI tract. ","Interactions":[{"ID":"DB00887"},{"ID":"DB00493"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB00438"},{"ID":"DB01212"},{"ID":"DB01111"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB00864"},{"ID":"DB01607"}],"Salts":[{"ID":"DBSALT000422","Name":"Streptomycin Sulfate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]}]},{"ID":"DB01083","Name":"Orlistat","DrugType":"small molecule","HalfLife":"1 to 2 hours.","Description":"Orlistat is a drug designed to treat obesity. Its primary function is preventing the absorption of fats from the human diet, thereby reducing caloric intake. Orlistat works by inhibiting pancreatic lipase, an enzyme that breaks down triglycerides in the intestine. Without this enzyme, triglycerides from the diet are prevented from being hydrolyzed into absorbable free fatty acids and are excreted undigested.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For obesity management including weight loss and weight maintenance when used in conjunction with a reduced-calorie diet. Also used to reduce the risk for weight regain after prior weight loss. Use of orlistat is pending revision due to reports of liver-related adverse events.","Toxicity":"The results of a massive overdose of Xenical are unknown, although the drug seems relatively harmless.","MechanismOfAction":"Orlistat is a reversible inhibitor of lipases. It exerts its therapeutic activity in the lumen of the stomach and small intestine by forming a covalent bond with the active serine residue site of gastric and pancreatic lipases. The inactivated enzymes are thus unavailable to hydrolyze dietary fat in the form of triglycerides into absorbable free fatty acids and monoglycerides. As undigested triglycerides are not absorbed, the resulting caloric deficit may have a positive effect on weight control.","Pharmacodynamics":"Orlistat is a lipase inhibitor for obesity management that acts by\r\ninhibiting the absorption of dietary fats. At the recommended\r\ntherapeutic dose of 120 mg three times a day, orlistat inhibits\r\ndietary fat absorption by approximately 30%. It works by inhibiting pancreatic lipase, an enzyme that breaks down fat in the intestine. Without this enzyme, fat from the diet is excreted\r\nundigested and not absorbed by the body. Because some vitamins are fat soluble, the effect of orlistat is to reduce their body\r\nabsorption. Therefore the drug should only be taken in conjuction with fatty meals, and a multivitamin tablet containing these vitamins (D E K and beta-carotene) should be taken once a day, at least 2 hours before or after taking the drug. In the March 15, 2004 issue of Cancer Research, [1] Steven J. Kridel \u003ci\u003eet al.\u003c/i\u003e state that orlistat may also inhibit growth of prostate cancer, and in theory may be useful in treating other cancers, by interfering with the metabolism of fats.","Absorption":"Systemic absorption of orlistat is minimal, however systemic absorption of the drug is not needed for activity.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB02300"},{"ID":"DB00169"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB00162"},{"ID":"DB00163"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01084","Name":"Emedastine","DrugType":"small molecule","HalfLife":"The elimination half-life of oral emedastine in plasma is 3-4 hours.","Description":"Emedastine is an antihistamine used in eye drops to treat allergic conjunctivitis. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"For the temporary relief of the signs and symptoms of allergic conjunctivitis.","Toxicity":"Somnolence and malaise have been reported following daily oral administration.","MechanismOfAction":"Emedastine is a relatively selective, histamine H\u003csub\u003e1\u003c/sub\u003e antagonist. In vitro examinations of emedastine's affinity for histamine receptors demonstrate relative selectivity for the H\u003csub\u003e1\u003c/sub\u003e histamine receptor. In vivo studies have shown concentration-dependent inhibition of histamine-stimulated vascular permeability in the conjunctiva following topical ocular administration. Emedastine appears to be devoid of effects on adrenergic, dopaminergic and serotonin receptors.","Pharmacodynamics":"Emedastine is a relatively selective H\u003csub\u003e1\u003c/sub\u003e-receptor antagonist.","Absorption":"Ophthalmic use of emedastine usually does not produce measurable plasma concentrations.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01085","Name":"Pilocarpine","DrugType":"small molecule","HalfLife":"0.76 hours","Description":"A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma. [PubChem]","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"For the treatment of radiation-induced dry mouth (xerostomia) and symptoms of dry mouth in patients with Sj\u0026ouml;grens syndrome.","Toxicity":"","MechanismOfAction":"Pilocarpine is a cholinergic parasympathomimetic agent. It increase secretion by the exocrine glands, and produces contraction of the iris sphincter muscle and ciliary muscle (when given topically to the eyes) by mainly stimulating muscarinic receptors.","Pharmacodynamics":"Pilocarpine is a choline ester miotic and a positively charged quaternary ammonium compound. Pilocarpine, in appropriate dosage, can increase secretion by the exocrine glands. The sweat, salivary, lacrimal, gastric, pancreatic, and intestinal glands and the mucous cells of the respiratory tract may be stimulated. When applied topically to the eye as a single dose it causes miosis, spasm of accommodation, and may cause a transitory rise in intraocular pressure followed by a more persistent fall. Dose-related smooth muscle stimulation of the intestinal tract may cause increased tone, increased motility, spasm, and tenesmus. Bronchial smooth muscle tone may increase. The tone and motility of urinary tract, gallbladder, and biliary duct smooth muscle may be enhanced. Pilocarpine may have paradoxical effects on the cardiovascular system. The expected effect of a muscarinic agonist is vasodepression, but administration of pilocarpine may produce hypertension after a brief episode of hypotension. Bradycardia and tachycardia have both been reported with use of pilocarpine.","Absorption":"There was a decrease in the rate of absorption of pilocarpine from SALAGEN Tablets when taken with a high fat meal by 12 healthy male volunteers","Interactions":[{"ID":"DB00382"}],"Salts":[{"ID":"DBSALT000307","Name":"Pilocarpine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01086","Name":"Benzocaine","DrugType":"small molecule","HalfLife":"","Description":"A surface anesthetic that acts by preventing transmission of impulses along nerve fibers and at nerve endings. [PubChem]","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For general use as a lubricant and topical anesthetic on esophagus, larynx, mouth, nasal cavity, rectum, respiratory tract or trachea, urinary tract, vagina. It is also used to suppress gag reflex.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=3040 mg/kg (rat, oral)","MechanismOfAction":"Benzocaine binds to sodium channels and reversibly stabilizes the neuronal membrane which decreases its permeability to sodium ions. Depolarization of the neuronal membrane is inhibited thereby blocking the initiation and conduction of nerve impulses.","Pharmacodynamics":"Benzocaine is a local anesthetic commonly used as a topical pain reliever. It is the active ingredient in many over-the-counter analgesic ointments. It is also indicated for general use as a lubricant and topical anesthetic on intratracheal catheters and pharyngeal and nasal airways to obtund the pharyngeal and tracheal reflexes; on nasogastric and endoscopic tubes; urinary catheters; laryngoscopes; proctoscopes; sigmoidoscopes and vaginal specula.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01087","Name":"Primaquine","DrugType":"small molecule","HalfLife":"3.7-7.4 hours","Description":"An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404)","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"For the treatment of malaria.","Toxicity":"","MechanismOfAction":"Primaquine's mechanism of action is not well understood. It may be acting by generating reactive oxygen species or by interfering with the electron transport in the parasite. Also, although its mechanism of action is unclear, primaquine may bind to and alter the properties of protozoal DNA.","Pharmacodynamics":"Primaquine is an antimalarial agent and is the essential co-drug with chloroquine in treating all cases of malaria. In the blood, malaria parasites break down a part of the red blood cells known as haemoglobin. When this happens haemoglobin is divided into two parts; haem and globin. Haem is toxic to the malaria parasite. To prevent it from being damaged, the malaria parasite produces an chemical which converts the toxic haem into a non-toxic product. Primaquine acts by interfering with a part of the parasite (mitochondria) that is responsible for supplying it with energy. Without energy the parasite dies. This stops the infection from continuing and allows the person to recover. Primaquine kills the intrahepatic form of \u003ci\u003ePlasmodium vivax\u003c/i\u003e and \u003ci\u003ePlasmodium ovale\u003c/i\u003e, and thereby prevents the development of the erythrocytic forms that are responsible for relapses (it also kills gametocytes). Primaquine is not used in the prevention of malaria, only in the treatment. It has insignificant activity against the asexual blood forms of the parasite and therefore it is always used in conjunction with a blood schizonticide and never as a single agent. Primaquine has gametocytocidal activity against all plasmodia, including \u003ci\u003eP. falciparum\u003c/i\u003e.","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB06708"},{"ID":"DB00382"},{"ID":"DB01623"},{"ID":"DB00697"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01088","Name":"Iloprost","DrugType":"small molecule","HalfLife":"20-30 minutes","Description":"Iloprost is a synthetic analogue of prostacyclin PGI2. Iloprost dilates systemic and pulmonary arterial vascular beds. It is used to treat pulmonary arterial hypertension (PAH).","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"Used for the treatment of pulmonary arterial hypertension.","Toxicity":"Overdoses can lead to hypotension, headache, flushing, nausea, vomiting, and diarrhea.","MechanismOfAction":"Iloprost is a second generation structural analog of prostacyclin (PGI) with about ten-fold greater potency than the first generation stable analogs, such as carbaprostacyclin. Iloprost binds with equal affinity to human prostacyclin (Prostanoid IP) and prostaglandin EP1 receptors. Iloprost constricts the ilium and fundus circular smooth muscle as strongly as prostaglandin E2 (PGE2) itself. Iloprost inhibits the ADP, thrombin, and collagen-induced aggregation of human platelets. In whole animals, iloprost acts as a vasodilator, hypotensive, antidiuretic, and prolongs bleeding time. All of these properties help to antagonize the pathological changes that take place in the small pulmonary arteries of patients with pulmonary hypertension.","Pharmacodynamics":"Iloprost is a synthetic analogue of prostacyclin PGI2. Iloprost dilates systemic and pulmonary arterial vascular beds. It also affects platelet aggregation but the relevance of this effect to the treatment of pulmonary hypertension is unknown. The two diastereoisomers of iloprost differ in their potency in dilating blood vessels, with the 4S isomer substantially more potent than the 4R isomer.","Absorption":"Rapidly absorbed with bioavailability of 63%","Interactions":[{"ID":"DB00519"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01089","Name":"Deserpidine","DrugType":"small molecule","HalfLife":"","Description":"Deserpidine is an ester alkaloid drug isolated from Rauwolfia canescens (family Apocynaceae) with antipsychotic and antihypertensive properties that has been used for the control of high blood pressure and for the relief of psychotic behavior.","Classification":{"Description":"This compound belongs to the yohimbine alkaloids. These are compounds containing the pentacyclic yohimban skeleton.","DirectParent":"Yohimbine Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Yohimbine Alkaloids","SubClass":""},"Indication":"For the treatment of hypertension.","Toxicity":"Symptoms of overdose include dizziness or drowsiness (severe), flushing of skin, pinpoint pupils of eyes and slowed pulse.","MechanismOfAction":"Deserpidine's mechanism of action is through inhibition of the ATP/Mg\u003csup\u003e2+\u003c/sup\u003e pump responsible for the sequestering of neurotransmitters into storage vesicles located in the presynaptic neuron. The neurotransmitters that are not sequestered in the storage vesicle are readily metabolized by monoamine oxidase (MAO) causing a reduction in catecholamines.","Pharmacodynamics":"Deserpidine, an alkaloid of \u003ci\u003eRauwolfia canescens\u003c/i\u003e, is used as an antihypertensive. Rauwolfia alkaloids work by controlling nerve impulses along certain nerve pathways. As a result, they act on the heart and blood vessels to lower blood pressure.","Absorption":"","Interactions":[{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00816"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB00852"},{"ID":"DB00871"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01090","Name":"Pentolinium","DrugType":"small molecule","HalfLife":"","Description":"A nicotinic antagonist that has been used as a ganglionic blocking agent in hypertension. [PubChem]","Classification":{"Description":"This compound belongs to the pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-member saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.","DirectParent":"Pyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":""},"Indication":"Used to produce controlled hypotension during surgical procedures and in hypertensive crises.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 512 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 890 mg/kg.","MechanismOfAction":"Pentolinium binds to the nicotinic (ganglion) acetylcholine receptor. This receptor/channel is permeable to a range of divalent cations including calcium, the influx of which may activate a potassium current which hyperpolarizes the cell membrane. Blockage of the receptor leads to smooth muscle relaxation and vasodilaton.","Pharmacodynamics":"Pentolinium acts as a ganglionic blocking agent. Pentolinium inhibits release of adrenaline and noradrenaline from adrenergic nerves. It is used as an antihypertensive, and can be administered orally, intramuscularly, and subcutaneously.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000236","Name":"Pentolinium tartrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01091","Name":"Butenafine","DrugType":"small molecule","HalfLife":"Following topical application, a biphasic decline of plasma butenafine concentrations was observed with the half-lives estimated to be 35 hours initial and over 150 hours terminal.","Description":"Butenafine hydrochloride is a synthetic benzylamine antifungal agent. Butenafine works by inhibiting the synthesis of sterols by inhibiting squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For the topical treatment of the following dermatologic infections: tinea (pityriasis) versicolor due to \u003ci\u003eM. furfur\u003c/i\u003e, interdigital tinea pedis (athlete\u0026rsquo;s foot), tinea corporis (ringworm) and tinea cruris (jock itch) due to \u003ci\u003eE. floccosum\u003c/i\u003e, \u003ci\u003eT. mentagrophytes\u003c/i\u003e, \u003ci\u003eT. rubrum\u003c/i\u003e, and \u003ci\u003eT. tonsurans\u003c/i\u003e.","Toxicity":"","MechanismOfAction":"Although the mechanism of action has not been fully established, it has been suggested that butenafine, like allylamines, interferes with sterol biosynthesis (especially ergosterol) by inhibiting squalene monooxygenase, an enzyme responsible for converting squalene to 2,3-oxydo squalene. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Blockage of squalene monooxygenase also leads to a subsequent accumulation of squalene. When a high concentration of squalene is reached, it is thought to have an effect of directly kill fungal cells.","Pharmacodynamics":"Butenafine is a synthetic antifungal agent that is structurally and pharmacologically related to allylamine antifungals. The exact mechanism of action has not been established, but it is suggested that butenafine's antifungal activity is exerted through the alteration of cellular membranes, which results in increased membrane permeability, and growth inhibition. Butenafine is mainly active against dermatophytes and has superior fungicidal activity against this group of fungi when compared to that of terbinafine, naftifine, tolnaftate, clotrimazole, and bifonazole. It is also active against \u003ci\u003eCandida albicans\u003c/i\u003e and this activity is superior to that of terbinafine and naftifine. Butenafine also generates low MICs for \u003ci\u003eCryptococcus neoformans\u003c/i\u003e and \u003ci\u003eAspergillus spp.\u003c/i\u003e as well.","Absorption":"The total amount absorbed through the skin into the systemic circulation has not been quantified.","Interactions":null,"Salts":[{"ID":"DBSALT000245","Name":"Butenafine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01092","Name":"Ouabain","DrugType":"small molecule","HalfLife":"","Description":"A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like digitalis. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-exchanging ATPase. [PubChem]","Classification":{"Description":"This compound belongs to the cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.","DirectParent":"Cardenolide Glycosides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Lactones"},"Indication":"For the treatment of atrial fibrillation and flutter and heart failure","Toxicity":"","MechanismOfAction":"Ouabain inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Ouabain also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential.","Pharmacodynamics":"Ouabain, a cardiac glycoside similar to digitoxin, is used to treat congestive heart failure and supraventricular arrhythmias due to reentry mechanisms, and to control ventricular rate in the treatment of chronic atrial fibrillation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01093","Name":"Dimethyl sulfoxide","DrugType":"small molecule","HalfLife":"","Description":"A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during cryopreservation. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation. [PubChem]","Classification":{"Description":"This compound belongs to the sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).","DirectParent":"Sulfoxides","Kingdom":"Organic Compounds","SuperClass":"Organosulfur Compounds","Class":"Sulfoxides","SubClass":""},"Indication":"For the symptomatic relief of patients with interstitial cystitis.","Toxicity":"The oral LD\u003csub\u003e50\u003c/sub\u003e of dimethyl sulfoxide in the dog is greater than 10 gm/kg. It is improbable that this dosage level could be obtained with intravesical instillation of dimethyl sulfoxide in the patient.","MechanismOfAction":"The mechanism of dimethyl sulfoxide's actions is not well understood. Dimethyl sulfoxide has demonstrated antioxidant activity in certain biological settings. For example, the cardiovascular protective effect of dimethyl sulfoxide in copper-deficient rats is thought to occur by an antioxidant mechanism. It is also thought that dimethyl sulfoxide's possible anti-inflammatory activity is due to antioxidant action.","Pharmacodynamics":"Dimethyl Sulfoxide may have anti-inflammatory, antioxidant and analgesic activities. Dimethyl Sulfoxide also readily penetrates cellular membranes. The membrane-penetrating ability of dimethyl sulfoxide may enhance diffusion of other substances through the skin. For this reason, mixtures of idoxuridine and dimethyl sulfoxide have been used for topical treatment of herpes zoster in the United Kingdom.","Absorption":"Readily and rapidly absorbed following administration by all routes and distributed throughout the body.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01094","Name":"Hesperetin","DrugType":"small molecule","HalfLife":"","Description":"Hesperetin belongs to the flavanone class of flavonoids. Hesperetin, in the form of its glycoside hesperidin, is the predominant flavonoid in lemons and oranges.","Classification":{"Description":"This compound belongs to the 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone.","DirectParent":"4'-O-methylated Flavonoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"O-methylated Flavonoids"},"Indication":"For lowering cholesterol and, possibly, otherwise favorably affecting lipids. \u003ci\u003eIn vitro\u003c/i\u003e research also suggests the possibility that hesperetin might have some anticancer effects and that it might have some anti-aromatase activity, as well as activity again.","Toxicity":"","MechanismOfAction":"Hesperetin reduces or inhibits the activity of acyl-coenzyme A:cholesterol acyltransferase genes (ACAT\u003csub\u003e1\u003c/sub\u003e and ACAT\u003csub\u003e2\u003c/sub\u003e) and it reduces microsomal triglyceride transfer protein (MTP) activity. Hesperetin also seems to upregulate the LDL receptor. This leads to the reduced assembly and secretion of apoB-containing lipoproteins and enhanced reuptake of those lipoproteins, thereby lowering cholesterol levels.","Pharmacodynamics":"Hesperetin is a cholesterol lowering flavanoid found in a number of citrus juices. It appears to reduce cholesteryl ester mass and inhibit apoB secretion by up to 80%. Hesperetin may have antioxidant, anti-inflammatory, anti-allergic, hypolipidemic, vasoprotective and anticarcinogenic actions.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01095","Name":"Fluvastatin","DrugType":"small molecule","HalfLife":"3 hours ","Description":"Fluvastatin is an antilipemic agent that competitively inhibits hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase. HMG-CoA reductase catalyzes the conversion of HMG-CoA to mevalonic acid, the rate-limiting step in cholesterol biosynthesis. Fluvastatin belongs to a class of medications called statins and is used to reduce plasma cholesterol levels and prevent cardiovascular disease. It is also the first entirely synthetic HMG-CoA reductase inhibitor and is structurally distinct from the fungal derivatives of this therapeutic class. ","Classification":{"Description":"This compound belongs to the phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.","DirectParent":"Phenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"To be used as an adjunct to dietary therapy to prevent cardiovascular events. May be used as secondary prevention in patients with coronary heart disease (CHD) to reduce the risk of requiring coronary revascularization procedures, for reducing progression of coronary atherosclerosis in hypercholesterolemic patients with CHD, and for the treatment of primary hypercholesterolemia and mixed dyslidipidemia. ","Toxicity":"Generally well-tolerated. May cause gastrointestinal upset (diarrhea, nausea, constipation, gas, abdominal pain), myotoxicity (mypothy, myositis, rhabdomyolysis), and hepatotoxicity.","MechanismOfAction":"Fluvastatin selectively and competitively inhibits the hepatic enzyme hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase. HMG-CoA reductase is responsible for converting HMG-CoA to mevalonate, the rate-limiting step in cholesterol biosynthesis. Inhibition results in a decrease in hepatic cholesterol levels which stimulates the synthesis of LDL receptors and increases hepatic uptake of LDL cholesterol. The end result is decreased levels of plasma total and LDL cholesterol. ","Pharmacodynamics":"Fluvastatin, the first synthetically-derived HMG-CoA reductase inhibitor, is a hydrophilic, acidic, antilipemic agent used to lower cholesterol and triglyceride levels associated with primary hypercholesterolemia and mixed dyslipidemia (Fredrickson types IIa and IIb), to slow the progression of coronary atherosclerosis in patients with CHD and as secondary prevention therapy in patients with CHD to reduce the risk of requiring coronary revascularization procedures. Although similar to lovastatin, simvastatin, and pravastatin, fluvastatin has a shorter half-life, no active metabolites, extensive protein binding, and minimal CSF penetration. Fluvastatin acts primarily in the liver. It is prepared as a racemate of two erythro enantiomers of which the 3R,5S enantiomer exerts the pharmacologic effect. ","Absorption":"Rapidly and almost completely absorbed (\u003e 90%), but undergoes extensive first pass metabolism. Bioavailability is 24% (range 9-50%) when a 10 mg dose is given. The mean relative bioavailability of the extended-release tablet is 29% (range: 9% to 66%) compared to an immediate-release capsule administered under fasting conditions. When given orally, fluvastatin reaches peak concentrations (Tmax) in less than one hour. Taking the extended release tablet with a high-fat meal will delay absorption (Tmax = 6 hours) and increase bioavailability by approximately 50%. However, the maximum concentration of fluvastatin sodium extended-release tablets seen after a high fat meal is less than the peak concentration following a single dose or twice daily dose of the 40 mg fluvastatin capsule.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB01393"},{"ID":"DB01432"},{"ID":"DB01394"},{"ID":"DB00375"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB06414"},{"ID":"DB01039"},{"ID":"DB00196"},{"ID":"DB01241"},{"ID":"DB00912"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000088","Name":"Fluvastatin Sodium "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00119","Drugs":["DB00169","DB01095","DB01592","DB02552","DB04540"]}]},{"ID":"DB01096","Name":"Oxamniquine","DrugType":"small molecule","HalfLife":"1-2.5 hours","Description":"An anthelmintic with schistosomicidal activity against Schistosoma mansoni, but not against other Schistosoma spp. Oxamniquine causes worms to shift from the mesenteric veins to the liver where the male worms are retained; the female worms return to the mesentery, but can no longer release eggs. (From Martidale, The Extra Pharmacopoeia, 31st ed, p121)","Classification":{"Description":"This compound belongs to the nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.","DirectParent":"Nitroquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Nitroquinolines and Derivatives"},"Indication":"For treatment of Schistosomiasis caused by \u003ci\u003eSchistosoma mansoni\u003c/i\u003e","Toxicity":"","MechanismOfAction":"Oxamniquine may associate with an irreversible inhibition of the nucleic acid metabolism of the parasites. A hypothesis has been put forth that the drug is activated by a single step, in which a schistosome sulfotransferase enzyme converts oxamniquine into an ester (probably acetate, phosphate, or sulfate). Subsequently, the ester spontaneously dissociates, the resulting electrophilic reactant is capable of alkylation of schistosome DNA.","Pharmacodynamics":"Oxamniquine is an anthelmintic with schistosomicidal activity against \u003ci\u003eSchistosoma mansoni\u003c/i\u003e, but not against other Schistosoma spp. Oxamniquine causes worms to shift from the mesenteric veins to the liver where the male worms are retained; the female worms return to the mesentery, but can no longer release egg.","Absorption":"Well absorbed orally","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01097","Name":"Leflunomide","DrugType":"small molecule","HalfLife":"2 weeks","Description":"Leflunomide is a pyrimidine synthesis inhibitor belonging to the DMARD (disease-modifying antirheumatic drug) class of drugs, which are chemically and pharmacologically very heterogeneous. Leflunomide was approved by FDA and in many other countries (e.g., Canada, Europe) in 1999.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For the management of the signs and symptoms of active rheumatoid arthritis (RA) to improve physical function and to slow the progression of structural damage associated with the disease. Has also been used for the prevention of acute and chronic rejection in recipients of solid organ trasnplants and is designated by the FDA as an orphan drug for this use.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=100-250 mg/kg (acute oral toxicity)","MechanismOfAction":"Leflunomide is a prodrug that is rapidly and almost completely metabolized following oral administration to its pharmacologically active metabolite, A77 1726. This metabolite is responsible for essentially all of the drug's activity in-vivo. The mechanism of action of leflunomide has not been fully determined, but appears to primarily involve regulation of autoimmune lymphocytes. It has been suggested that leflunomide exerts its immunomodulating effects by preventing the expansion of activated autoimmune lymphocytes via interferences with cell cycle progression. In-vitro data indicates that leflunomide interferes with cell cycle progression by inhibiting dihydroorotate dehydrogenase (a mitochondrial enzyme involved in de novo pyrimidine ribonucleotide uridine monophosphate (rUMP)synthesis) and has antiproliferative activity. Human dihydroorotate dehydrogenase consists of 2 domains: an α/β-barrel domain containing the active site and an α-helical domain that forms a tunnel leading to the active site. A77 1726 binds to the hydrophobic tunnel at a site near the flavin mononucleotide. Inhibition of dihydroorotate dehydrogenase by A77 1726 prevents production of rUMP by the de novo pathway; such inhibition leads to decreased rUMP levels, decreased DNA and RNA synthesis, inhibition of cell proliferation, and G1 cell cycle arrest. It is through this action that leflunomide inhibits autoimmune T-cell proliferation and production of autoantibodies by B cells. Since salvage pathways are expected to sustain cells arrested in the G1 phase, the activity of leflunomide is cytostatic rather than cytotoxic. Other effects that result from reduced rUMP levels include interference with adhesion of activated lymphocytes to the synovial vascular endothelial cells, and increased synthesis of immunosuppressive cytokines such as transforming growth factor-β (TGF-β). Leflunomide is also a tyrosine kinase inhibitor. Tyrosine kinases activate signalling pathways leading to DNA repair, apoptosis and cell proliferation. Inhibition of tyrosine kinases can help to treating cancer by preventing repair of tumor cells. ","Pharmacodynamics":"Leflunomide is a pyrimidine synthesis inhibitor indicated in adults for the treatment of active rheumatoid arthritis (RA). RA is an auto-immune disease characterized by high T-cell activity. T cells have two pathways to synthesize pyrimidines: the salvage pathways and the de novo synthesis. At rest, T lymphocytes meet their metabolic requirements by the salvage pathway. Activated lymphocytes need to expand their pyrimidine pool 7- to 8-fold, while the purine pool is expanded only 2- to 3-fold. To meet the need for more pyrimidines, activated T cells use the de novo pathway for pyrimidine synthesis. Therefore, activated T cells, which are dependent on de novo pyrimidine synthesis, will be more affected by leflunomide's inhibition of dihydroorotate dehydrogenase than other cell types that use the salvage pathway of pyrimidine synthesis.","Absorption":"Well absorbed, peak plasma concentrations appear 6-12 hours after dosing","Interactions":[{"ID":"DB01281"},{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00098"},{"ID":"DB06681"},{"ID":"DB08879"},{"ID":"DB00290"},{"ID":"DB00958"},{"ID":"DB00262"},{"ID":"DB00291"},{"ID":"DB00515"},{"ID":"DB00242"},{"ID":"DB00631"},{"ID":"DB00930"},{"ID":"DB01285"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB00005"},{"ID":"DB00056"},{"ID":"DB05259"},{"ID":"DB00078"},{"ID":"DB00065"},{"ID":"DB08935"},{"ID":"DB00043"},{"ID":"DB00059"},{"ID":"DB01045"},{"ID":"DB06372"},{"ID":"DB08880"},{"ID":"DB08895"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01098","Name":"Rosuvastatin","DrugType":"small molecule","HalfLife":"19 hours","Description":"Rosuvastatin is an antilipemic agent that competitively inhibits hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase. HMG-CoA reducuase catalyzes the conversion of HMG-CoA to mevalonic acid, the rate-limiting step in cholesterol biosynthesis. Rosuvastatin belongs to a class of medications called statins and is used to reduce plasma cholesterol levels and prevent cardiovascular disease.","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Used as an adjunct to dietary therapy to treat primary hyperlipidemia (heterozygous familial and nonfamilial), mixed dyslipidemia and hypertriglyceridemia. Also indicated for homozygous familial hypercholesterolemia as an adjunct to other lipid-lowering therapies or when other such therapies are not available. Furthermore, it is used to slow the progression of atherosclerosis and for primary prevention of cardiovascular disease. ","Toxicity":"Generally well-tolerated. Side effects may include myalgia, constipation, asthenia, abdominal pain, and nausea. Other possible side effects include myotoxicity (myopathy, myositis, rhabdomyolysis) and hepatotoxicity. To avoid toxicity in Asian patients, lower doses should be considered. Pharmacokinetic studies show an approximately two-fold increase in peak plasma concentration and AUC in Asian patients (Philippino, Chinese, Japanese, Korean, Vietnamese, or Asian-Indian descent) compared to Caucasians patients. ","MechanismOfAction":"Rosuvastatin is a competitive inhibitor of HMG-CoA reductase. HMG-CoA reductase catalyzes the conversion of HMG-CoA to mevalonate, an early rate-limiting step in cholesterol biosynthesis. Rosuvastatin acts primarily in the liver. Decreased hepatic cholesterol concentrations stimulate the upregulation of hepatic low density lipoprotein (LDL) receptors which increases hepatic uptake of LDL. Rosuvastatin also inhibits hepatic synthesis of very low density lipoprotein (VLDL). The overall effect is a decrease in plasma LDL and VLDL. \r\nIn vitro and in vivo animal studies also demonstrate that rosuvastatin exerts vasculoprotective effects independent of its lipid-lowering properties. Rosuvastatin exerts an anti-inflammatory effect on rat mesenteric microvascular endothelium by attenuating leukocyte rolling, adherence and transmigration (PMID: 11375257). The drug also modulates nitric oxide synthase (NOS) expression and reduces ischemic-reperfusion injuries in rat hearts (PMID: 15914111). Rosuvastatin increases the bioavailability of nitric oxide (PMID: 11375257, 12031849, 15914111) by upregulating NOS (PMID: 12354446) and by increasing the stability of NOS through post-transcriptional polyadenylation (PMID: 17916773). It is unclear as to how rosuvastatin brings about these effects though they may be due to decreased concentrations of mevalonic acid. \r\n\r\n","Pharmacodynamics":"Rosuvastatin is a synthetic, enantiomerically pure antilipemic agent. It is used to lower total cholesterol, low density lipoprotein-cholesterol (LDL-C), apolipoprotein B (apoB), non-high density lipoprotein-cholesterol (non-HDL-C), and trigleride (TG) plasma concentrations while increasing HDL-C concentrations. High LDL-C, low HDL-C and high TG concentrations in the plasma are associated with increased risk of atherosclerosis and cardiovascular disease. The total cholesterol to HDL-C ratio is a strong predictor of coronary artery disease and high ratios are associated with higher risk of disease. Increased levels of HDL-C are associated with lower cardiovascular risk. By decreasing LDL-C and TG and increasing HDL-C, rosuvastatin reduces the risk of cardiovascular morbidity and mortality. ","Absorption":"Bioavailability is approximately 20%. Peak plasma concentrations were reached 3 to 5 hours following oral dosing. Both Cmax and AUC increased in approximate proportion to CRESTOR dose. Food has no effect on the AUC of rosuvastatin. ","Interactions":[{"ID":"DB01394"},{"ID":"DB00091"},{"ID":"DB01039"},{"ID":"DB01241"},{"ID":"DB01378"},{"ID":"DB00932"}],"Salts":[{"ID":"DBSALT000154","Name":"Rosuvastatin Calcium "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00092","Drugs":["DB00169","DB01098","DB01592","DB02552","DB04540"]}]},{"ID":"DB01099","Name":"Flucytosine","DrugType":"small molecule","HalfLife":"2.4 to 4.8 hours.","Description":"A fluorinated cytosine analog that is used as an antifungal agent. [PubChem]","Classification":{"Description":"This compound belongs to the halopyrimidines. These are aromatic compounds containing an halogen atom linked to a pyrimidine ring.","DirectParent":"Halopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the treatment (in combination with amphotericin B) of serious infections caused by susceptible strains of Candida (septicemia, endocarditis and urinary system infections) and/or Cryptococcus (meningitis and pulmonary infections).","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = \u003e15 gm/kg.","MechanismOfAction":"Although the exact mode of action is unknown, it has been proposed that flucytosine acts directly on fungal organisms by competitive inhibition of purine and pyrimidine uptake and indirectly by intracellular metabolism to 5-fluorouracil. Flucytosine enters the fungal cell via cytosine permease; thus, flucytosine is metabolized to 5-fluorouracil within fungal organisms. The 5-fluorouracil is extensively incorporated into fungal RNA and inhibits synthesis of both DNA and RNA. The result is unbalanced growth and death of the fungal organism. It also appears to be an inhibitor of fungal thymidylate synthase.","Pharmacodynamics":"Flucytosine is an antimetabolite that acts as an antifungal agent with \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e activity against Candida and Cryptococcus. Flucytosine enters the fungal cell via cytosine permease; thus, flucytosine is metabolized to 5-fluorouracil within fungal organisms. The 5-fluorouracil is extensively incorporated into fungal RNA and inhibits synthesis of both DNA and RNA. The result is unbalanced growth and death of the fungal organism. Antifungal synergism between Ancobon and polyene antibiotics, particularly amphotericin B, has been reported.","Absorption":"Rapidly and virtually completely absorbed following oral administration. Bioavailability 78% to 89%.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01100","Name":"Pimozide","DrugType":"small molecule","HalfLife":"29 \u0026plusmn; 10 hours (single-dose study of healthy volunteers).","Description":"A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to haloperidol for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403)","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Used for the suppression of motor and phonic tics in patients with Tourette's Disorder who have failed to respond satisfactorily to standard treatment.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e = 1100 mg/kg (rat, oral), 228 mg/kg (mouse, oral)","MechanismOfAction":"The ability of pimozide to suppress motor and phonic tics in Tourette's Disorder is thought to be primarily a function of its dopaminergic blocking activity. Pimozide binds and inhibits the dopamine D2 receptor in the CNS. ","Pharmacodynamics":"Pimozide is an orally active antipsychotic drug product which shares with other antipsychotics the ability to blockade dopaminergic receptors on neurons in the central nervous system. However, receptor blockade is often accompanied by a series of secondary alterations in central dopamine metabolism and function which may contribute to both pimozide's therapeutic and untoward effects. In addition, pimozide, in common with other antipsychotic drugs, has various effects on other central nervous system receptor systems which are not fully characterized. Pimozide also has less potential for inducing sedation and hypotension as it has more specific dopamine receptor blocking activity than other neuroleptic agents (and is therefore a suitable alternative to haloperidol).","Absorption":"Greater than 50% absorption after oral administration. Serum peak appears 6-8 hours post ingestion.","Interactions":[{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB08873"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB00843"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB00674"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00715"},{"ID":"DB01263"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01232"},{"ID":"DB01104"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB05521"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00208"},{"ID":"DB00932"},{"ID":"DB00539"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB01361"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00744"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01101","Name":"Capecitabine","DrugType":"small molecule","HalfLife":"45-60 minutes for capecitabine and its metabolites.","Description":"Capecitabine is an orally-administered chemotherapeutic agent used in the treatment of metastatic breast and colorectal cancers. Capecitabine is a prodrug, that is enzymatically converted to fluorouracil (antimetabolite) in the tumor, where it inhibits DNA synthesis and slows growth of tumor tissue.","Classification":{"Description":"This compound belongs to the glycoamino acids and derivatives. These are saccharides attached to a single amino acid by any kind of covalent bond. A glycosyl-amino-acid is a compound consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.","DirectParent":"Glycoamino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of patients with metastatic breast cancer resistant to both paclitaxel and an anthracycline-containing chemotherapy regimen. May also be used in combination with docetaxel for the treatment of metastatic breast cancer in patients who have failed to respond to, or recurred or relasped during or following anthracycline-containing chemotherapy. Capecitabine is used alone as an adjuvant therapy following the complete resection of primary tumor in patients with stage III colon cancer when monotherapy with fluroprymidine is preferred. The use or capecitabine in combination regimens for advanced gastric cancer is currently being investigated.","Toxicity":"","MechanismOfAction":"Capecitabine is a prodrug that is selectively tumour-activated to its cytotoxic moiety, fluorouracil, by thymidine phosphorylase, an enzyme found in higher concentrations in many tumors compared to normal tissues or plasma. Fluorouracil is further metabolized to two active metabolites, 5-fluoro-2'-deoxyuridine 5'-monophosphate (FdUMP) and 5-fluorouridine triphosphate (FUTP), within normal and tumour cells. These metabolites cause cell injury by two different mechanisms. First, FdUMP and the folate cofactor, N5-10-methylenetetrahydrofolate, bind to thymidylate synthase (TS) to form a covalently bound ternary complex. This binding inhibits the formation of thymidylate from 2'-deaxyuridylate. Thymidylate is the necessary precursor of thymidine triphosphate, which is essential for the synthesis of DNA, therefore a deficiency of this compound can inhibit cell division. Secondly, nuclear transcriptional enzymes can mistakenly incorporate FUTP in place of uridine triphosphate (UTP) during the synthesis of RNA. This metabolic error can interfere with RNA processing and protein synthesis through the production of fraudulent RNA.","Pharmacodynamics":"Capecitabine is a fluoropyrimidine carbamate with antineoplastic activity indicated for the treatment of metastatic breast cancer and colon cancer. It is an orally administered systemic prodrug that has little pharmacologic activity until it is converted to fluorouracil by enzymes that are expressed in higher concentrations in many tumors. Fluorouracil it then metabolized both normal and tumor cells to 5-fluoro-2′-deoxyuridine 5′-monophosphate (FdUMP) and 5-fluorouridine triphosphate (FUTP).","Absorption":"Readily absorbed through the GI tract (~70%)","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB00252"},{"ID":"DB00675"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00072"},{"ID":"DB00440"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00607","Drugs":["DB00371","DB00544","DB01101"]},{"ID":"SMP00469","Drugs":["DB00371","DB00544","DB01101"]}]},{"ID":"DB01102","Name":"Arbutamine","DrugType":"small molecule","HalfLife":"Elimination half-life is approximately 8 minutes.","Description":"Arbutamine, administered through a closed-loop, computer-controlled drug-delivery system, is indicated to elicit acute cardiovascular responses, similar to those produced by exercise, in order to aid in diagnosing the presence or absence of coronary artery disease in patients who cannot exercise adequately .","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"Used to elicit acute cardiovascular responses (cardiac stumulant), similar to those produced by exercise, in order to aid in diagnosing the presence or absence of coronary artery disease (CAD) in patients who cannot exercise adequately.","Toxicity":"","MechanismOfAction":"Arbutamine is a synthetic catecholamine with positive chronotropic and inotropic properties. The chronotropic (increase in heart rate) and inotropic (increase in force of contraction) effects of arbutamine serve to mimic exercise by increasing cardiac work (producing stress) and provoke myocardial ischemia in patients with compromised coronary arteries. The increase in heart rate caused by arbutamine is thought to limit regional subendocardial perfusion, thereby limiting tissue oxygenation. In functional assays, arbutamine is more selective for beta-adrenergic receptors than for alpha-adrenergic receptors. The beta-agonist activity of arbutamine provides cardiac stress by increasing heart rate, cardiac contractility, and systolic blood pressure. The degree of hypotension that occurs for a given chronotropic activity is less with arbutamine than, for example, with isoproterenol because alpha receptor activity is retained.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00664","Drugs":["DB01102","DB01345","DB01373"]}]},{"ID":"DB01103","Name":"Quinacrine","DrugType":"small molecule","HalfLife":"5 to 14 days","Description":"An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2. [PubChem]","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"For the treatment of giardiasis and cutaneous leishmaniasis and the management of malignant effusions.","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 900 mg/kg; Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 1000 mg/kg. Symptoms of overdose include seizures, hypotension, cardiac arrhythmias, and cardiovascular collapse.","MechanismOfAction":"The exact mechanism of antiparasitic action is unknown; however, quinacrine binds to deoxyribonucleic acid (DNA) in vitro by intercalation between adjacent base pairs, inhibiting transcription and translation to ribonucleic acid (RNA). Quinacrine does not appear to localize to the nucleus of Giaridia trophozoites, suggesting that DNA binding may not be the primary mechanism of its antimicrobial action. Fluorescence studies using Giardia suggest that the outer membranes may be involved. Quinacrine inhibits succinate oxidation and interferes with electron transport. In addition, by binding to nucleoproteins, quinacrine suppress the lupus erythematous cell factor and acts as a strong inhibitor of cholinesterase.","Pharmacodynamics":"Quinacrine has been used as an antimalarial drug and as an antibiotic. It is used to treat giardiasis, a protozoal infection of the intestinal tract, and certain types of lupus erythematosus, an inflammatory disease that affects the joints, tendons, and other connective tissues and organs. Quinacrine may be injected into the space surrounding the lungs to prevent reoccurrence of pneumothorax. The exact way in which quinacrine works is unknown. It appears to interfere with the parasite's metabolism.","Absorption":"Absorbed rapidly from the gastrointestinal tract following oral administration.","Interactions":[{"ID":"DB00289"}],"Salts":[{"ID":"DBSALT000420","Name":"Quinacrine Dihydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01104","Name":"Sertraline","DrugType":"small molecule","HalfLife":"The elimination half-life of sertraline is approximately 25-26 hours. The elimination half-life of desmethylsertraline is approximately 62-104 hours. ","Description":"Sertraline hydrochloride belongs to a class of antidepressant agents known as selective serotonin-reuptake inhibitors (SSRIs). Despite distinct structural differences between compounds in this class, SSRIs possess similar pharmacological activity. As with other antidepressant agents, several weeks of therapy may be required before a clinical effect is seen. SSRIs are potent inhibitors of neuronal serotonin reuptake. They have little to no effect on norepinephrine or dopamine reuptake and do not antagonize \u0026alpha;- or \u0026beta;-adrenergic, dopamine D\u003csub\u003e2\u003c/sub\u003e or histamine H\u003csub\u003e1\u003c/sub\u003e receptors. During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. Chronic use leads to desensitization of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. The overall clinical effect of increased mood and decreased anxiety is thought to be due to adaptive changes in neuronal function that leads to enhanced serotonergic neurotransmission. Side effects include dry mouth, nausea, dizziness, drowsiness, sexual dysfunction and headache (see Toxicity section below for a more detailed listing of side effects). Compared to other agents in this class, sertraline may cause greater diarrheal and male sexual dysfunction effects. Side effects generally occur within the first two weeks of therapy and are usually less severe and frequent than those observed with tricyclic antidepressants. Sertraline may be used to treat major depressive disorder, obsessive-compulsive disorder (OCD), panic disorder, post-traumatic stress disorder (PTSD), premenstrual dysphoric disorder (PMDD) and social anxiety disorder (social phobia). ","Classification":{"Description":"This compound belongs to the tametralines. These are compounds containing a tametraline moiety, which consists of a tetrahydronaphthalene linked to a phenyl group to form N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine skeleton.","DirectParent":"Tametralines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":"Tametralines"},"Indication":"For the management of major depressive disorder, posttraumatic stress disorder, obsessive-compulsive disorder, panic disorder with or without agoraphobia, premenstrual dysphoric disorder, social phobia, premature ejaculation, and vascular headaches.","Toxicity":"Symptoms of toxicity include alopecia, decreased libido, diarrhea, ejaculation disorder, fatigue, insomnia, somnolence and serotonin syndrome. The most frequently observed side effects include: GI effects such as nausea, diarrhea or loose stools, dyspepsia, and dry mouth; nervous system effects such as somnolence, dizziness, insomnia, and tremor; sexual dysfunction in males (principally ejaculatory delay); and sweating.","MechanismOfAction":"The exact mechanism of action sertraline is not fully known, but the drug appears to selectively inhibit the reuptake of serotonin at the presynaptic membrane. This results in an increased synaptic concentration of serotonin in the CNS, which leads to numerous functional changes associated with enhanced serotonergic neurotransmission. It is suggested that these modifications are responsible for the antidepressant action observed during long term administration of antidepressants. It has also been hypothesized that obsessive-compulsive disorder is caused by the dysregulation of serotonin, as it is treated by sertraline, and the drug corrects this imbalance.","Pharmacodynamics":"Sertraline, an antidepressant drug similar to citalopram, fluoxetine, and paroxetine, is of the selective serotonin reuptake inhibitor (SSRI) type. Sertraline has one active metabolite and, like the other SSRIs, have less sedative, anticholinergic, and cardiovascular effects than the tricyclic antidepressant drugs because it does not have clinically important anticholinergic, antihistamine, or adrenergic blocking activity.","Absorption":"The effects of food on the bioavailability of the sertraline tablet and oral concentrate were studied in subjects administered a single dose with and without food. For the tablet, AUC was slightly increased when drug was administered with food but the Cmax was 25% greater, while the time to reach peak plasma concentration (Tmax) decreased from 8 hours post-dosing to 5.5 hours. For the oral concentrate, Tmax was slightly prolonged from 5.9 hours to 7.0 hours with food.","Interactions":[{"ID":"DB00918"},{"ID":"DB00564"},{"ID":"DB01136"},{"ID":"DB01166"},{"ID":"DB01211"},{"ID":"DB00363"},{"ID":"DB06700"},{"ID":"DB00843"},{"ID":"DB00216"},{"ID":"DB00199"},{"ID":"DB01320"},{"ID":"DB00998"},{"ID":"DB00674"},{"ID":"DB01381"},{"ID":"DB01247"},{"ID":"DB01009"},{"ID":"DB00601"},{"ID":"DB00264"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB00497"},{"ID":"DB00780"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB01367"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00857"},{"ID":"DB01600"},{"ID":"DB00932"},{"ID":"DB00500"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000808","Name":"Sertraline Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01105","Name":"Sibutramine","DrugType":"small molecule","HalfLife":"1.1 hours","Description":"Sibutramine (trade name Meridia in the USA, Reductil in Europe and other countries), usually as sibutramide hydrochloride monohydrate, is an orally administered agent for the treatment of obesity. It is a centrally acting stimulant chemically related to amphetamines. Sibutramine is classified as a Schedule IV controlled substance in the United States. In October 2010, Sibutramine was withdrawn from Canadian and U.S. markets due to concerns that the drug increases the risk of heart attack and stroke in patients with a history of heart disease.","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For the treatment of obesity.","Toxicity":"Side effects include dry mouth, anorexia, insomnia, constipation and headache.","MechanismOfAction":"Sibutramine produces its therapeutic effects by inhibition of norepinephrine (NE), serotonin (5-hydroxytryptamine, 5-HT), and to a lesser extent, dopamine reuptake at the neuronal synapse. By inhibiting the reuptake of these neurotransmitters, sibutramine promotes a sense of satiety and decrease in appetite, thereby reducing food intake. Data from animal studies also suggest that sibutramine may also increase energy expenditure through thermogenic effects in both the basal and fed states, but this has not been confirmed in humans. Sibutramine and its major pharmacologically active metabolites (M1 and M2) do not act via release of monoamines. ","Pharmacodynamics":"Sibutramine is an orally administered agent for the treatment of obesity. Sibutramine exerts its pharmacological actions predominantly via its secondary (M1) and primary (M2) amine metabolites. The parent compound, sibutramine, is a potent inhibitor of serotonin and norepinephrine reuptake \u003ci\u003ein vivo\u003c/i\u003e, but not \u003ci\u003ein vitro\u003c/i\u003e. However, metabolites M1 and M2 inhibit the reuptake of these neurotransmitters both \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e. In human brain tissue, M1 and M2 also inhibit dopamine reuptake \u003ci\u003ein vitro\u003c/i\u003e, but with ~3-fold lower potency than for the reuptake inhibition of serotonin or norepinephrine. Sibutramine, M1 and M2 exhibit no evidence of anticholinergic or antihistaminergic actions. In addition, receptor binding profiles show that sibutramine, M1 and M2 have low affinity for serotonin (5-HT\u003csub\u003e1\u003c/sub\u003e, 5-HT\u003csub\u003e1A\u003c/sub\u003e, 5-HT\u003csub\u003e1B\u003c/sub\u003e, 5-HT\u003csub\u003e2A\u003c/sub\u003e, 5-HT\u003csub\u003e2C\u003c/sub\u003e), norepinephrine (b, b1, b3, a1 and a2), dopamine (D1 and D2), benzodiazepine, and glutamate (NMDA) receptors. These compounds also lack monoamine oxidase inhibitory activity \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e.","Absorption":"Rapid absorption following oral administration. Absolute bioavailability is not known, but at least 77% of a single oral dose of sibutramine is absorbed.","Interactions":[{"ID":"DB00918"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00215"},{"ID":"DB01242"},{"ID":"DB00091"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB00514"},{"ID":"DB00320"},{"ID":"DB01142"},{"ID":"DB00696"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00998"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB01026"},{"ID":"DB01356"},{"ID":"DB00247"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00540"},{"ID":"DB00715"},{"ID":"DB00454"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00976"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true,"illicit":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB01106","Name":"Levocabastine","DrugType":"small molecule","HalfLife":"36 hours (after oral administration)","Description":"Levocabastine is a selective second-generation H1-receptor antagonist used for allergic conjunctivitis. Levocabastine was discovered at Janssen Pharmaceutica in 1979.","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"As an ophthalmic for the temporary relief of the signs and symptoms of seasonal allergic conjunctivitis. Also used as a nasal spray for allergic rhinitis.","Toxicity":"Adverse effects include visual disturbances, dry mouth, cough, nausea, eyelid edema and lacrimation.","MechanismOfAction":"Levocabastine is a potent, selective histamine H1-receptor antagonist. It works by competing with histamine for H1-receptor sites on effector cells. It thereby prevents, but does not reverse, responses mediated by histamine alone. Levocabastine does not block histamine release but, rather, prevents histamine binding and activity. Levocabastine also binds neurotensin 2 receptors and serves as a neurotensin agonist. This can induce some degree of analgesia.","Pharmacodynamics":"Levocabastine is a selective histamine H1-receptor antagonist exerting inhibitory effects on the release of chemical mediators from mast cells and on the chemotaxis of polymorphonuclear leukocytes and eosinophils. Both histamine and antigens induced conjunctivitis can be inhibited by levocabastine. Levocabastine can also reduce symptoms of allergic rhinitis by preventing an increase in vascular permeability of nasal mucosa.","Absorption":"After instillation in the eye, levocabastine is systemically absorbed, albeit at low levels.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01107","Name":"Methyprylon","DrugType":"small molecule","HalfLife":"6-16 hours","Description":"Methyprylon is a sedative of the piperidinedione derivative family. This medicine was used for treating insomnia, but is now rarely used as it has been replaced by newer drugs with less side effects, such as benzodiazepines. Methyprylon was withdrawn from the US market in June 1965 and the Canadian market in September 1990. [Wikipedia]","Classification":{"Description":"This compound belongs to the piperidinediones. These are compounds containing a piperidine ring which bears two ketones.","DirectParent":"Piperidinediones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Piperidinones"},"Indication":"For the treatment of insomnia.","Toxicity":"Symptoms of overdose include excitation and convulsions.","MechanismOfAction":"Methyprylon binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Methyprylon, a piperidinedione CNS depressant, is close to barbituric acid in structure, but different enough to be called a \"non-barbiturate\" sedative-hynotic. Methyprylon is used for insomnia and daytime tension. Methyprylon depresses the activity of muscle tissues, the heart, and the respiratory system.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB01108","Name":"Trilostane","DrugType":"small molecule","HalfLife":"8 hours.","Description":"Trilostane is an inhibitor of 3 beta-hydroxysteroid dehydrogenase used in the treatment of Cushing's syndrome. It was withdrawn from the United States market in April 1994. [Wikipedia]","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"Used in the treatment of Cushing's syndrome. It is normally used in short-term treatment until permanent therapy is possible.","Toxicity":"Symptoms of overdose include darkening of skin, drowsiness or tiredness, loss of appetite, mental depression, skin rash, and/or vomiting.","MechanismOfAction":"Trilostane produces suppression of the adrenal cortex by inhibiting enzymatic conversion of steroids by 3-beta-hydroxysteroid dehydrogenase/delta 5,4 ketosteroid isomerase, thus blocking synthesis of adrenal steroids.","Pharmacodynamics":"Trilostane blocks an enzyme involved in the production of several steroids including cortisol. Inhibiting this enzyme inhibits the production of cortisol. In Cushing's syndrome, the adrenal gland overproduces steroids. Although steroids are important for various functions of the body, too much can cause problems. Trilostane reduces the amount of steroids produced by the adrenal gland. This product was withdrawn from the U.S. market in April 1994.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB01109","Name":"Heparin","DrugType":"small molecule","HalfLife":"1.5 hours. \r\n\r\nThe plasma half-life of heparin increases from about 60 minutes with a 100 unit/kg dose to about 150 minutes with a 400 unit/kg dose. ","Description":"Unfractionated heparin (UH) is a heterogenous preparation of anionic, sulfated glycosaminoglycan polymers with weights ranging from 3000 to 30,000 Da. It is a naturally occurring anticoagulant released from mast cells. It binds reversibly to antithrombin III (ATIII) and greatly accelerates the rate at which ATIII inactivates coagulation enzymes thrombin (factor IIa) and factor Xa. UH is different from low molecular weight heparin (LMWH) in the following ways: the average molecular weight of LMWH is about 4.5 kDa whereas it is 15 kDa for UH; UH requires continuous infusions; activated partial prothrombin time (aPTT) monitoring is required when using UH; and UH has a higher risk of bleeding and higher risk of osteoporosis in long term use. Unfractionated heparin is more specific than LMWH for thrombin. Furthermore, the effects of UH can typically be reversed by using protamine sulfate.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Unfractionated heparin is indicated for prophylaxis and treatment of venous thrombosis and its extension, prevention of post-operative deep venous thrombosis and pulmonary embolism and prevention of clotting in arterial and cardiac surgery. In cardiology, it is used to prevent embolisms in patients with atrial fibrillation and as an adjunct antithrombin therapy in patients with unstable angina and/or non-Q wave myocardial infarctions (i.e. non-ST elevated acute coronary artery syndrome) who are on platelet glycoprotein (IIb/IIIa) receptor inhibitors. Additionally, it is used to prevent clotting during dialysis and surgical procedures, maintain the patency of intravenous injection devices and prevent in vitro coagulation of blood transfusions and in blood samples drawn for laboratory values.","Toxicity":"In mouse, the median lethal dose is greater than 5000 mg/kg. Another side effect is heparin-induced thrombocytopenia (HIT syndrome). Platelet counts usually do not fall until between days 5 and 12 of heparin therapy. HIT is caused by an immunological reaction that makes platelets form clots within the blood vessels, thereby using up coagulation factors. It can progress to thrombotic complications such as arterial thrombosis, gangrene, stroke, myocardial infarction and disseminated intravascular coagulation. Symptoms of overdose may show excessive prolongation of aPTT or by bleeding, which may be internal or external, major or minor. Therapeutic doses of heparin give for at least 4 months have been associated with osteoporosis and spontaneous vertebral fractures. Osteoporosis may be reversible once heparin is discontinued. Although a causal relationship has not been established, administration of injections preserved with benzyl alcohol has been associated with toxicity in neonates. Toxicity appears to have resulted from administration of large amounts (i.e., about 100–400 mg/kg daily) of benzyl alcohol in these neonates. Its use is principally associated with the use of bacteriostatic 0.9% sodium chloride intravascular flush or endotracheal tube lavage solutions.","MechanismOfAction":"Under normal circumstances, antithrombin III (ATIII) inactivates thrombin (factor IIa) and factor Xa. This process occurs at a slow rate. Administered heparin binds reversibly to ATIII and leads to almost instantaneous inactivation of factors IIa and Xa The heparin-ATIII complex can also inactivate factors IX, XI, XII and plasmin. The mechanism of action of heparin is ATIII-dependent. It acts mainly by accelerating the rate of the neutralization of certain activated coagulation factors by antithrombin, but other mechanisms may also be involved. The antithrombotic effect of heparin is well correlated to the inhibition of factor Xa. Heparin is not a thrombolytic or fibrinolytic. It prevents progression of existing clots by inhibiting further clotting. The lysis of existing clots relies on endogenous thrombolytics.","Pharmacodynamics":"Unfractionated heparin is a highly acidic mucopolysaccharide formed of equal parts of sulfated D-glucosamine and D-glucuronic acid with sulfaminic bridges. The molecular weight ranges from 3000 to 30,000 daltons. Heparin is obtained from liver, lung, mast cells, and other cells of vertebrates. Heparin is a well-known and commonly used anticoagulant which has antithrombotic properties. Heparin inhibits reactions that lead to the clotting of blood and the formation of fibrin clots both in vitro and in vivo. Small amounts of heparin in combination with antithrombin III, a heparin cofactor,) can inhibit thrombosis by inactivating Factor Xa and thrombin. Once active thrombosis has developed, larger amounts of heparin can inhibit further coagulation by inactivating thrombin and preventing the conversion of fibrinogen to fibrin. Heparin also prevents the formation of a stable fibrin clot by inhibiting the activation of the fibrin stabilizing factor. Heparin prolongs several coagulation tests. Of all the coagulation tests, activated partial prothrombin time (aPTT) is the most clinically important value.","Absorption":"Heparin must be given parenterally as it is not absorbed through the gastrointestinal mucosa. It is usually given by iv infusion or deep sc injection. The onset of action is immediate after iv injection but can be delayed 20 to 60 minutes following sc injection.\r\n\r\nPlasma heparin concentrations may be increased and activated partial thromboplastin times (aPTTs) may be more prolonged in geriatric adults (older than 60 years of age) compared with younger adults.","Interactions":[{"ID":"DB00945"},{"ID":"DB09026"},{"ID":"DB06692"},{"ID":"DB05394"},{"ID":"DB01395"},{"ID":"DB00055"},{"ID":"DB01381"},{"ID":"DB00208"},{"ID":"DB00684"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000417","Name":"Heparin sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00274","Drugs":["DB01109","DB01373"]},{"ID":"SMP00358","Drugs":["DB01109","DB01373","DB01593","DB04557"]}]},{"ID":"DB01110","Name":"Miconazole","DrugType":"small molecule","HalfLife":"","Description":"An imidazole antifungal agent that is used topically and by intravenous infusion. [PubChem]","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"For topical application in the treatment of tinea pedis (athlete\u0026rsquo;s foot), tinea cruris, and tinea corporis caused by \u003ci\u003eTrichophyton rubrum\u003c/i\u003e, \u003ci\u003eTrichophyton mentagrophytes\u003c/i\u003e, and \u003ci\u003eEpidermophyton floccosum\u003c/i\u003e, in the treatment of cutaneous candidiasis (moniliasis), and in the treatment of tinea versicolor.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 3800 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 3 gm/kg. Ingestion of the amounts of the components contained in a tube of cream are unlikely to produce overdosage and toxic effects.","MechanismOfAction":"Miconazole interacts with 14-\u0026alpha; demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Miconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis.","Pharmacodynamics":"Miconazole is an anti-fungal medication related to fluconazole (Diflucan), ketoconazole (Nizoral), itraconazole (Sporanox), and clotrimazole (Lotrimin, Mycelex). It is used either on the skin or in the vagina for fungal infections. Miconazole was approved by the FDA in 1974. Miconazole prevents fungal organisms from producing vital substances required for growth and function. This medication is effective only for infections caused by fungal organisms. It will not work for bacterial or viral infections.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB06210"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00906"},{"ID":"DB00697"},{"ID":"DB01124"},{"ID":"DB01036"},{"ID":"DB00214"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01111","Name":"Colistimethate","DrugType":"small molecule","HalfLife":"2-3 hours following either intravenous or intramuscular administration in adults and in the pediatric population, including premature infants.","Description":"Colistimethate is an antibiotic that has been shown to have bactericidal activity against aerobic gram-negative microorganisms. Colistimethate is particularly indicated when the infection is caused by sensitive strains of Pseudomonas aeruginosa. ","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of acute or chronic infections due to sensitive strains of certain gram-negative bacilli, particularly \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is 5450 mg/kg. Overdosage with colistimethate can cause neuromuscular blockade characterized by paresthesia, lethargy, confusion, dizziness, ataxia, nystagmus, disorders of speech and apnea. Respiratory muscle paralysis may lead to apnea, respiratory arrest and death.","MechanismOfAction":"Colistimethate is a surface active agent which penetrates into and disrupts the bacterial cell membrane. Colistimethate is polycationic and has both hydrophobic and lipophilic moieties. It interacts with the bacterial cytoplasmic membrane, changing its permeability. This effect is bactericidal. There is also evidence that polymyxins enter the cell and precipitate cytoplasmic components, primarily ribosomes.","Pharmacodynamics":"Colistimethate is a polymyxin antibiotic agent. Originally, colistimethate sodium was thought to be less toxic than polymyxin B; however, if the drugs are administered at comparable doses, their toxicities may be similar. Polymyxins are cationic polypeptides that disrupt the bacterial cell membrane through a detergentlike mechanism. With the development of less toxic agents, such as extended-spectrum penicillins and cephalosporins, parenteral polymyxin use was largely abandoned, except for the treatment of multidrug-resistant pulmonary infections in patients with cystic fibrosis. More recently, however, the emergence of multidrug-resistant gram-negative bacteria, such as \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e and \u003ci\u003eAcinetobacter baumannii\u003c/i\u003e, and the lack of new antimicrobial agents have led to the revived use of the polymyxins.","Absorption":"Very poor absorption from gastrointestinal tract.","Interactions":[{"ID":"DB00479"},{"ID":"DB00681"},{"ID":"DB00732"},{"ID":"DB00565"},{"ID":"DB00798"},{"ID":"DB01172"},{"ID":"DB00994"},{"ID":"DB01337"},{"ID":"DB00728"},{"ID":"DB01082"},{"ID":"DB00684"},{"ID":"DB00512"},{"ID":"DB01339"}],"Salts":[{"ID":"DBSALT000415","Name":"Colistimethate sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01112","Name":"Cefuroxime","DrugType":"small molecule","HalfLife":"Approximately 80 minutes following intramuscular or intravenous injection.","Description":"Broad-spectrum cephalosporin antibiotic resistant to beta-lactamase. It has been proposed for infections with gram-negative and gram-positive organisms, gonorrhea, and haemophilus. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of many different types of bacterial infections such as bronchitis, sinusitis, tonsillitis, ear infections, skin infections, gonorrhea, and urinary tract infections.","Toxicity":"Allergic reactions might be expected, including rash, nasal congestion, cough, dry throat, eye irritation, or anaphylactic shock. Overdosage of cephalosporins can cause cerebral irritation leading to convulsions.","MechanismOfAction":"Cefuroxime, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cefuroxime interferes with an autolysin inhibitor.","Pharmacodynamics":"Cefuroxime is a \u0026beta;-lactam type antibiotic. More specifically, it is a second-generation cephalosporin. Cephalosporins work the same way as penicillins: they interfere with the peptidoglycan synthesis of the bacterial wall by inhibiting the final transpeptidation needed for the cross-links. This effect is bactericidal. Cefuroxime is effective against the following organisms: Aerobic Gram-positive Microorganisms: \u003ci\u003eStaphylococcus aureus\u003c/i\u003e, \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e. Aerobic Gram-negative Microorganisms: \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e (including beta-lactamase-producing strains), \u003ci\u003eHaemophilus parainfluenzae\u003c/i\u003e, \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e (including beta-lactamase-producing strains), \u003ci\u003eNeisseria gonorrhoeae\u003c/i\u003e (including beta-lactamase-producing strains). Spirochetes: \u003ci\u003eBorrelia burgdorferi\u003c/i\u003e. Cefuroxime axetil is the prodrug ","Absorption":"Absorbed from the gastrointestinal tract. Absorption is greater when taken after food (absolute bioavailability increases from 37% to 52%).","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01113","Name":"Papaverine","DrugType":"small molecule","HalfLife":"0.5-2 hours","Description":"An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels. [PubChem]","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"For the treatment of impotence and vasospasms.","Toxicity":"","MechanismOfAction":"Perhaps by its direct vasodilating action on cerebral blood vessels, Papaverine increases cerebral blood flow and decreases cerebral vascular resistance in normal subjects; oxygen consumption is unaltered. These effects may explain the benefit reported from the drug in cerebral vascular encephalopathy.","Pharmacodynamics":"Papaverine is a nonxanthine phosphodiesterase inhibitor for the relief of cerebral and peripheral ischemia associated with arterial spasm and myocardial ischemia complicated by arrhythmias. The main actions of Papaverine are exerted on cardiac and smooth muscle. Like qathidine, Papaverine acts directly on the heart muscle to depress conduction and prolong the refractory period. Papaverine relaxes various smooth muscles. This relaxation may be prominent if spasm exists. The muscle cell is not paralyzed by Papaverine and still responds to drugs and other stimuli causing contraction. The antispasmodic effect is a direct one, and unrelated to muscle innervation. Papaverine is practically devoid of effects on the central nervous system. Papaverine relaxes the smooth musculature of the larger blood vessels, especially coronary, systemic peripheral, and pulmonary arteries.","Absorption":"","Interactions":[{"ID":"DB06274"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000784","Name":"Papaverine Codecarboxylate"},{"ID":"DBSALT000412","Name":"Papaverine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01114","Name":"Chlorphenamine","DrugType":"small molecule","HalfLife":"21-27 hours","Description":"A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than promethazine. [PubChem]","Classification":{"Description":"This compound belongs to the pheniramines. These are compounds containing a pheniramine moiety, which is structurally characterized by the presence of a 2-benzylpyridine linked to an dimethyl(propyl)amine to form a dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine skeleton.","DirectParent":"Pheniramines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pheniramines"},"Indication":"For the treatment of rhinitis, urticaria, allergy, common cold, asthma and hay fever.","Toxicity":"Oral LD50 (rat): 306 mg/kg; Oral LD50 (mice): 130 mg/kg; Oral LD50 (guinea pig): 198 mg/kg [Registry of Toxic Effects of Chemical Substances. Ed. D. Sweet, US Dept. of Health \u0026 Human Services: Cincinatti, 2010.] \r\nAlso a mild reproductive toxin to women of childbearing age.","MechanismOfAction":"Chlorpheniramine binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"In allergic reactions an allergen interacts with and cross-links surface IgE antibodies on mast cells and basophils. Once the mast cell-antibody-antigen complex is formed, a complex series of events occurs that eventually leads to cell-degranulation and the release of histamine (and other chemical mediators) from the mast cell or basophil. Once released, histamine can react with local or widespread tissues through histamine receptors. Histamine, acting on H\u003csub\u003e1\u003c/sub\u003e-receptors, produces pruritis, vasodilatation, hypotension, flushing, headache, tachycardia, and bronchoconstriction. Histamine also increases vascular permeability and potentiates pain. Chlorpheniramine, is a histamine H1 antagonist (or more correctly, an inverse histamine agonist) of the alkylamine class. It competes with histamine for the normal H\u003csub\u003e1\u003c/sub\u003e-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.","Absorption":"Well absorbed in the gastrointestinal tract.","Interactions":[{"ID":"DB00843"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00674"},{"ID":"DB00532"},{"ID":"DB00252"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00976"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000987","Name":"Chlorpheniramine maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01115","Name":"Nifedipine","DrugType":"small molecule","HalfLife":"2 hours","Description":"Nifedipine has been formulated as both a long- and short-acting 1,4-dihydropyridine calcium channel blocker. It acts primarily on vascular smooth muscle cells by stabilizing voltage-gated L-type calcium channels in their inactive conformation. By inhibiting the influx of calcium in smooth muscle cells, nifedipine prevents calcium-dependent myocyte contraction and vasoconstriction. A second proposed mechanism for the drug’s vasodilatory effects involves pH-dependent inhibition of calcium influx via inhibition of smooth muscle carbonic anhydrase. Nifedipine is used to treat hypertension and chronic stable angina.","Classification":{"Description":"This compound belongs to the dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.","DirectParent":"Dihydropyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"For the management of vasospastic angina, chronic stable angina, hypertension, and Raynaud's phenomenon. May be used as a first line agent for left ventricular hypertrophy and isolated systolic hypertension (long-acting agents). ","Toxicity":"Symptoms of overdose include dizziness, drowsiness, nausea, severe drop in blood pressure, slurred speech, and weakness. LD\u003csub\u003e50\u003c/sub\u003e=494 mg/kg (orally in mice); LD\u003csub\u003e50\u003c/sub\u003e=1022 mg/kg (orally in rats)","MechanismOfAction":"Nifedipine decreases arterial smooth muscle contractility and subsequent vasoconstriction by inhibiting the influx of calcium ions through L-type calcium channels. Calcium ions entering the cell through these channels bind to calmodulin. Calcium-bound calmodulin then binds to and activates myosin light chain kinase (MLCK). Activated MLCK catalyzes the phosphorylation of the regulatory light chain subunit of myosin, a key step in muscle contraction. Signal amplification is achieved by calcium-induced calcium release from the sarcoplasmic reticulum through ryanodine receptors. Inhibition of the initial influx of calcium inhibits the contractile processes of smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload. The vasodilatory effects of nifedipine result in an overall decrease in blood pressure. ","Pharmacodynamics":"Nifedipine, the prototype of the dihydropyridine class of calcium channel blockers (CCBs), is similar to other dihydropyridines including amlodipine, felodipine, isradipine, and nicardipine. There are at least five different types of calcium channels in Homo sapiens: L-, N-, P/Q-, R- and T-type. CCBs target L-type calcium channels, the major channel in muscle cells that mediates contraction. Similar to other DHP CCBs, nifedipine binds directly to inactive calcium channels stabilizing their inactive conformation. Since arterial smooth muscle depolarizations are longer in duration than cardiac muscle depolarizations, inactive channels are more prevalent in smooth muscle cells. Alternative splicing of the alpha-1 subunit of the channel gives nifedipine additional arterial selectivity. At therapeutic sub-toxic concentrations, nifedipine has little effect on cardiac myocytes and conduction cells. By blocking the calcium channels, Nifedipine inhibits the spasm of the coronary artery and dilates the systemic arteries, results in a increase of myocardial oxygen supply and a decrease in systemic blood pressure.","Absorption":"Rapidly and fully absorbed following oral administration.","Interactions":[{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00091"},{"ID":"DB01341"},{"ID":"DB06414"},{"ID":"DB01404"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00619"},{"ID":"DB01065"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00794"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB01045"},{"ID":"DB00418"},{"ID":"DB01323"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00306"},{"ID":"DB00976"},{"ID":"DB00599"},{"ID":"DB00932"},{"ID":"DB00697"},{"ID":"DB00374"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00379","Drugs":["DB01115","DB01345","DB01373"]}]},{"ID":"DB01116","Name":"Trimethaphan","DrugType":"small molecule","HalfLife":"","Description":"A nicotinic antagonist that has been used as a ganglionic blocker in hypertension, as an adjunct to anesthesia, and to induce hypotension during surgery. [PubChem]","Classification":{"Description":"This compound belongs to the thienoimidazolidines. These are heterocyclic compounds containing a thiophene ring fused to an imidazolidine ring.","DirectParent":"Thienoimidazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienoimidazolidines","SubClass":""},"Indication":"For the controlled reduction of blood pressure during surgery and in the treatment of hypertensive emergencies.","Toxicity":"","MechanismOfAction":"Trimethaphan is a ganglionic blocking agent prevents stimulation of postsynaptic receptors by competing with acetylcholine for these receptor sites. Additional effects may include direct peripheral vasodilation and release of histamine. Trimethaphan's hypotensive effect is due to reduction in sympathetic tone and vasodilation, and is primarily postural.","Pharmacodynamics":"Trimethaphan is indicated for production of controlled hypotension during surgery to reduce bleeding into the surgical field and also for rapid reduction of blood pressure in the treatment of hypertensive emergencies, especially in patients with acute dissecting aneurysm, and in the emergency treatment of pulmonary edema in patients with pulmonary hypertension associated with systemic hypertension.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01117","Name":"Atovaquone","DrugType":"small molecule","HalfLife":"2.2 to 3.2 days","Description":"A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols. [PubChem]","Classification":{"Description":"This compound belongs to the naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring fused to a bezene-1,4-dione (quinone).","DirectParent":"Naphthoquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For the treatment or prevention of \u003ci\u003ePneumocystis carinii\u003c/i\u003e pneumonia in patients who are intolerant to trimethoprim-sulfamethoxazole (TMP-SMX). Also indicated for the acute oral treatment of mild to moderate PCP in patients who are intolerant to TMP-SMX.","Toxicity":"The median lethal dose is higher than the maximum oral dose tested in mice and rats (1825 mg/kg per day). Overdoses up to 31,500 mg of atovaquone have been reported. In one such patient who also took an unspecified dose of dapsone, methemoglobinemia occurred. Rash has also been reported after overdose.","MechanismOfAction":"Atovaquone is a hydroxy- 1, 4- naphthoquinone, an analog of ubiquinone, with antipneumocystis activity. The mechanism of action against \u003ci\u003ePneumocystis carinii\u003c/i\u003e has not been fully elucidated. In Plasmodium species, the site of action appears to be the cytochrome bc1 complex (Complex III). Several metabolic enzymes are linked to the mitochondrial electron transport chain via ubiquinone. Inhibition of electron transport by atovaquone will result in indirect inhibition of these enzymes. The ultimate metabolic effects of such blockade may include inhibition of nucleic acid and ATP synthesis. Atovaquone also has been shown to have good \u003ci\u003ein vitro\u003c/i\u003e activity against \u003ci\u003eToxoplasma gondii\u003c/i\u003e.","Pharmacodynamics":"Atovaquone is a highly lipophilic drug that closely resembles the structure ubiquinone. Its inhibitory effect being comparable to ubiquinone, in sensitive parasites atovaquone can act by selectively affecting mitochondrial electron transport and parallel processes such as ATP and pyrimidine biosynthesis. For illustration, cytochrome bc1 complex (complex III) seems to serve as a highly discriminating molecular target for atovaquone in Plasmodia\r\natovaquone has the advantage of not causing myelosuppression, which is an important issue in patients who have undergone bone marrow transplantation.","Absorption":"The bioavailability of atovaquone is low and variable and is highly dependent on formulation and diet. Bioavailability of the suspension increases two-fold when administered with meals. When administered with food, bioavailability is approximately 47%. Without food, the bioavailability is 23%.","Interactions":[{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00759"},{"ID":"DB00495"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01118","Name":"Amiodarone","DrugType":"small molecule","HalfLife":"58 days (range 15-142 days)","Description":"An antianginal and antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting Na,K-activated myocardial adenosine triphosphatase. There is a resulting decrease in heart rate and in vascular resistance. [PubChem]","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Intravenously, for initiation of treatment and prophylaxis of frequently recurring ventricular fibrillation and hemodynamically unstable ventricular tachycardia in patients refractory to other therapy. Orally, for the treatment of life-threatening recurrent ventricular arrhythmias such as recurrent ventricular fibrillation and recurrent hemodynamically unstable ventricular tachycardia.","Toxicity":"Intravenous, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 178 mg/kg. Some side effects have a significant mortality rate: specifically, hepatitis, exacerbation of asthma and congestive failure, and pneumonitis.","MechanismOfAction":"The antiarrhythmic effect of amiodarone may be due to at least two major actions. It prolongs the myocardial cell-action potential (phase 3) duration and refractory period and acts as a noncompetitive a- and b-adrenergic inhibitor.","Pharmacodynamics":"Amiodarone belongs to a class of drugs called Vaughan-Williams Class III antiarrhythmic agents. It is used in the treatment of a wide range of cardiac tachyarhthmias, including both ventricular and supraventricular (atrial) arrhythmias. After intravenous administration in man, amiodarone relaxes vascular smooth muscle, reduces peripheral vascular resistance (afterload), and slightly increases cardiac index. Amiodarone prolongs phase 3 of the cardiac action potential. It has numerous other effects however, including actions that are similar to those of antiarrhythmic classes Ia, II, and IV. Amiodarone shows beta blocker-like and calcium channel blocker-like actions on the SA and AV nodes, increases the refractory period via sodium- and potassium-channel effects, and slows intra-cardiac conduction of the cardiac action potential, via sodium-channel effects.","Absorption":"Slow and variable (about 20 to 55% of an oral dose is absorbed).","Interactions":[{"ID":"DB01418"},{"ID":"DB06274"},{"ID":"DB00701"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00289"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB06695"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB01341"},{"ID":"DB00343"},{"ID":"DB06210"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB06414"},{"ID":"DB06414"},{"ID":"DB00813"},{"ID":"DB08868"},{"ID":"DB01195"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB05039"},{"ID":"DB00224"},{"ID":"DB01362"},{"ID":"DB01137"},{"ID":"DB06708"},{"ID":"DB00532"},{"ID":"DB00933"},{"ID":"DB00218"},{"ID":"DB00220"},{"ID":"DB00252"},{"ID":"DB01035"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00243"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01656"},{"ID":"DB01232"},{"ID":"DB00641"},{"ID":"DB01208"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB00342"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB00697"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000355","Name":"Amiodarone Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00665","Drugs":["DB01118","DB01345","DB01373"]}]},{"ID":"DB01119","Name":"Diazoxide","DrugType":"small molecule","HalfLife":"28 \u0026plusmn;8.3 hours in normal adults.","Description":"A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group. [PubChem]","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"Used parentally to treat hypertensive emergencies. Also used to treat hypoglycemia secondary to insulinoma.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat and mouse: 980 mg/kg and 444 mg/kg, respectively.","MechanismOfAction":"As a diuretic, diazoxide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like diazoxide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of diazoxide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle. As a antihypoglycemic, diazoxide inhibits insulin release from the pancreas, probably by opening potassium channels in the beta cell membrane.","Pharmacodynamics":"Diazoxide is a potassium channel activator, which causes local relaxation in smooth muscle by increasing membrane permeability to potassium ions. This switches off voltage-gated calcium ion channels which inhibits the generation of an action potential.","Absorption":"Readily absorbed following oral administration.","Interactions":[{"ID":"DB09026"},{"ID":"DB00436"},{"ID":"DB00672"},{"ID":"DB00310"},{"ID":"DB01320"},{"ID":"DB01016"},{"ID":"DB00999"},{"ID":"DB00808"},{"ID":"DB00252"},{"ID":"DB00519"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01120","Name":"Gliclazide","DrugType":"small molecule","HalfLife":"10.4 hours. Duration of action is 10-24 hours. ","Description":"Gliclazide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating \u0026beta; cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic \u0026beta; cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Gliclazide has been shown to decrease fasting plasma glucose, postprandial blood glucose and glycosolated hemoglobin (HbA1c) levels (reflective of the last 8-10 weeks of glucose control). Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70%) and feces (10-20%).","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of NIDDM in conjunction with diet and exercise. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=3000 mg/kg (orally in mice). Gliclazide and its metabolites may accumulate in those with severe hepatic and/or renal dysfunction. Symptoms of hypoglycemia include: dizziness, lack of energy, drowsiness, headache and sweating.","MechanismOfAction":"Gliclazide binds to the \u0026beta; cell sulfonyl urea receptor (SUR1). This binding subsequently blocks the ATP sensitive potassium channels. The binding results in closure of the channels and leads to a resulting decrease in potassium efflux leads to depolarization of the \u0026beta; cells. This opens voltage-dependent calcium channels in the \u0026beta; cell resulting in calmodulin activation, which in turn leads to exocytosis of insulin containing secretorty granules.","Pharmacodynamics":"Gliclazide is a second generation sulphonylurea which acts as a hypoglycemic agent. It stimulates \u0026beta; cells of the islet of Langerhans in the pancreas to release insulin. It also enhances peripheral insulin sensitivity. Overall, it potentiates insulin release and improves insulin dynamics.","Absorption":"Rapidly and well absorbed but may have wide inter- and intra-individual variability. Peak plasma concentrations occur within 4-6 hours of oral administration. ","Interactions":[{"ID":"DB01193"},{"ID":"DB00945"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB01294"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB00446"},{"ID":"DB00636"},{"ID":"DB00266"},{"ID":"DB00187"},{"ID":"DB01296"},{"ID":"DB00598"},{"ID":"DB01397"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00812"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB01398"},{"ID":"DB01399"},{"ID":"DB00052"},{"ID":"DB00489"},{"ID":"DB00373"},{"ID":"DB01401"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00461","Drugs":["DB01120","DB01345","DB01373"]}]},{"ID":"DB01121","Name":"Phenacemide","DrugType":"small molecule","HalfLife":"22-25 hours.","Description":"Phenacemide is used to control certain seizures in the treatment of epilepsy. This medicine acts on the central nervous system (CNS) to reduce the number and severity of seizures.","Classification":{"Description":"This compound belongs to the n-acyl ureas. These are compounds containing an urea bearing a N-acyl group.","DirectParent":"N-Acyl Ureas","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Carbonic Acids and Derivatives","SubClass":"Ureas"},"Indication":"Used to control certain seizures in the treatment of epilepsy.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 987 mg/kg; Oral, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = 2500 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 1600 mg/kg","MechanismOfAction":"Phenacemide binds to and blocks neuronal sodium channels or voltage sensitive calcium channels. This blocks or suppresses neuronal depolarization and hypersynchronization. Hypersynchronization is what often causes seizures.","Pharmacodynamics":"Phenacemide is a ureal anticonvulsant indicated for control of severe epilepsy, particularly mixed forms of complex partial (psychomotor or temporal lobe) seizures, refractory to other anticonvulsants. Phenacemide elevates the threshold for minimal electroshock convulsions and abolishes the tonic phase of maximal electroshock seizures. It also prevents or modifies seizures induced by pentylenetetrazol or other convulsants.","Absorption":"Almost completely absorbed.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01122","Name":"Ambenonium","DrugType":"small molecule","HalfLife":"","Description":"Ambenonium is a cholinesterase inhibitor used in the management of myasthenia gravis. [Wikipedia]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Ambenonium is used to treat muscle weakness due to muscle disease (myasthenia gravis).","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=150\u0026plusmn;44 mg/kg (orally in mice). Symptoms of overdose include muscle twitching, weakness and paralysis of voluntary muscles including the tongue, shoulders, neck and arms, blood pressure increase (with or without a slowing of heart rate), a sensation of internal trembling, severe anxiety, and panic. Death may occur rapidly if untreated.","MechanismOfAction":"Ambenonium exerts its actions against myasthenia gravis by competitive, reversible inhibition of acetylcholinesterase. The disease myasthenia gravis occurs when the body inappropriately produces antibodies against acetylcholine receptors, and thus inhibits proper acetylcholine signal transmission (when acetylcholine binds to acetylcholine receptors of striated muscle fibers, it stimulates those fibers to contract). Ambenonium reversibly binds acetylcholinesterase at the anionic site, which results in the blockage of the site of acetycholine binding, thereby inhibiting acetylcholine hydrolysis and enhancing cholinergic function through the accumulation of acetycholine at cholinergic synpases. In turn this facilitates transmission of impulses across the myoneural junction and effectively treats the disease.","Pharmacodynamics":"Ambenonium, similar to pyridostigmine and neostigmine, is used for the treatment of muscle weakness and fatigue in people with myasthenia gravis. It is postulated to exert its therapeutic effect by enhancing cholinergic function through the inhibition of the acetylcholine hydrolysis by acetylcholinesterase. Increased levels of acetylcholine has peripheral effects, as acetylcholine is also used in the brain, where it tends to cause excitatory actions. The glands that receive impulses from the parasympathetic part of the autonomic nervous system are also stimulated in the same way. This is why an increase in acetylcholine causes a decreased heart rate and increased production of saliva. Ambenonium is used less commonly than neostigmine or pyridostigmine but may be preferred in patients hypersensitive to the bromide ion. Ambenonium produces fewer muscarinic side effects than neostigmine, but more than pyridostigmine.","Absorption":"Oral - poorly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00443"},{"ID":"DB01234"},{"ID":"DB00687"},{"ID":"DB00741"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00382"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01123","Name":"Proflavine","DrugType":"small molecule","HalfLife":"","Description":"3,6-Diaminoacridine. Topical antiseptic used mainly in wound dressings. [PubChem]","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"Topical antiseptic used mainly in wound dressings.","Toxicity":"","MechanismOfAction":"Proflavine acts by interchelating DNA (intercalation), thereby disrupting DNA synthesis and leading to high levels of mutation in the copied DNA strands. This prevents bacterial reproduction.","Pharmacodynamics":"Proflavine is an acriflavine derivative which is a disinfectant bacteriostatic against many gram-positive bacteria. Proflavine is toxic and carcinogenic in mammals and so it is used only as a surface disinfectant or for treating superficial wounds.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01124","Name":"Tolbutamide","DrugType":"small molecule","HalfLife":"Approximately 7 hours with interindividual variations ranging from 4-25 hours. Tolbutamide has the shortest duration of action, 6-12 hours, of the antidiabetic sulfonylureas.","Description":"Tolbutamide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It is structurally similar to acetohexamide, chlorpropamide and tolazamide and belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating β cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic β cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Tolbutamide appears to be metabolized in the liver. Tolbutamide and its metabolites are excreted in urine (75-85%) and feces. ","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For treatment of NIDDM (non-insulin-dependent diabetes mellitus) in conjunction with diet and exercise.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 2600 mg/kg","MechanismOfAction":"Sulfonylureas lower blood glucose in patients with NIDDM by directly stimulating the acute release of insulin from functioning beta cells of pancreatic islet tissue by an unknown process that involves a sulfonylurea receptor (receptor 1) on the beta cell. Sulfonylureas inhibit the ATP-potassium channels on the beta cell membrane and potassium efflux, which results in depolarization and calcium influx, calcium-calmodulin binding, kinase activation, and release of insulin-containing granules by exocytosis, an effect similar to that of glucose.","Pharmacodynamics":"Tolbutamide, a first-generation sulfonylurea antidiabetic agent, is used with diet to lower blood glucose levels in patients with diabetes mellitus type II. Tolbutamide is twice as potent as the related second-generation agent glipizide. Tolbutamide lowers blood sugar by stimulating the pancreas to secrete insulin and helping the body use insulin efficiently. The pancreas must be able to produce insulin for this drug to work.","Absorption":"Readily absorbed following oral administration. Tolbutamide is detectable in plasma 30-60 minutes following oral administration of a single dose with peak plasma concentrations occurring within 3-5 hours. \r\n\r\nAbsorption is unaltered if taken with food but is increased with high pH.","Interactions":[{"ID":"DB01193"},{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB00559"},{"ID":"DB01101"},{"ID":"DB01136"},{"ID":"DB00482"},{"ID":"DB00446"},{"ID":"DB00636"},{"ID":"DB00250"},{"ID":"DB00705"},{"ID":"DB00390"},{"ID":"DB00187"},{"ID":"DB00322"},{"ID":"DB00196"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB00712"},{"ID":"DB01320"},{"ID":"DB01241"},{"ID":"DB00222"},{"ID":"DB01067"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01221"},{"ID":"DB01026"},{"ID":"DB00598"},{"ID":"DB00678"},{"ID":"DB01283"},{"ID":"DB00784"},{"ID":"DB01357"},{"ID":"DB00264"},{"ID":"DB01110"},{"ID":"DB00471"},{"ID":"DB01203"},{"ID":"DB00731"},{"ID":"DB00622"},{"ID":"DB01580"},{"ID":"DB01229"},{"ID":"DB00812"},{"ID":"DB00252"},{"ID":"DB00960"},{"ID":"DB00554"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB06268"},{"ID":"DB00052"},{"ID":"DB00359"},{"ID":"DB01015"},{"ID":"DB01138"},{"ID":"DB00263"},{"ID":"DB00675"},{"ID":"DB00373"},{"ID":"DB00214"},{"ID":"DB00440"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"},{"ID":"DB01198"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01125","Name":"Anisindione","DrugType":"small molecule","HalfLife":"Not Known","Description":"Anisindione is a synthetic anticoagulant and an indanedione derivative. It prevents the formation of active procoagulation factors II, VII, IX, and X, as well as the anticoagulant proteins C and S, in the liver by inhibiting the vitamin K-mediated gamma-carboxylation of precursor proteins.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the prophylaxis and treatment of venous thrombosis and its extension, the treatment of atrial fibrillation with embolization, the prophylaxis and treatment of pulmonary embolism, and as an adjunct in the treatment of coronary occlusion.","Toxicity":"An overdose is likely to cause abnormal bleeding, for which the symptoms include: bleeding from gums or nose, blood in urine or stools, excessive bleeding from minor cuts, patches of discoloration or bruises on the skin.","MechanismOfAction":"Like phenindione, to which it is related chemically, anisindione exercises its therapeutic action by reducing the prothrombin activity of the blood. Anisindione prevents the formation of active procoagulation factors II, VII, IX, and X, as well as the anticoagulant proteins C and S, in the liver by inhibiting the vitamin K\u0026ndash;mediated gamma-carboxylation of precursor proteins. Anisindione has no direct thrombolytic effect and does not reverse ischemic tissue damage, although it may limit extension of existing thrombi and prevent secondary thromboembolic complications.","Pharmacodynamics":"Anisindione is a synthetic anticoagulant and an indanedione derivative. It is prescribed only if you cannot take coumarin-type anticoagulants such as coumadin as anisindione is a powerful drug with serious potential side effects. Anticoagulants decrease the clotting ability of the blood and therefore help to prevent harmful clots from forming in the blood vessels. These medicines are sometimes called blood thinners, although they do not actually thin the blood. They also will not dissolve clots that already have formed, but they may prevent the clots from becoming larger and causing more serious problems.","Absorption":"Accumulation does not occur with repeated dosing.","Interactions":[{"ID":"DB00316"},{"ID":"DB00945"},{"ID":"DB00437"},{"ID":"DB00357"},{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00993"},{"ID":"DB00207"},{"ID":"DB00443"},{"ID":"DB00559"},{"ID":"DB01101"},{"ID":"DB00564"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB01212"},{"ID":"DB00482"},{"ID":"DB01432"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB00636"},{"ID":"DB00375"},{"ID":"DB00531"},{"ID":"DB01406"},{"ID":"DB00618"},{"ID":"DB01234"},{"ID":"DB00647"},{"ID":"DB00509"},{"ID":"DB00586"},{"ID":"DB00485"},{"ID":"DB00861"},{"ID":"DB00822"},{"ID":"DB00254"},{"ID":"DB00199"},{"ID":"DB00189"},{"ID":"DB00977"},{"ID":"DB00749"},{"ID":"DB01628"},{"ID":"DB01039"},{"ID":"DB00573"},{"ID":"DB00196"},{"ID":"DB00687"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB01185"},{"ID":"DB00712"},{"ID":"DB01095"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00317"},{"ID":"DB00441"},{"ID":"DB01241"},{"ID":"DB01437"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB01050"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00328"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB01097"},{"ID":"DB00848"},{"ID":"DB01137"},{"ID":"DB00451"},{"ID":"DB00227"},{"ID":"DB01283"},{"ID":"DB00603"},{"ID":"DB00784"},{"ID":"DB00358"},{"ID":"DB00814"},{"ID":"DB01033"},{"ID":"DB00763"},{"ID":"DB00916"},{"ID":"DB01110"},{"ID":"DB01017"},{"ID":"DB00648"},{"ID":"DB00218"},{"ID":"DB00461"},{"ID":"DB00779"},{"ID":"DB00788"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB01083"},{"ID":"DB00991"},{"ID":"DB03585"},{"ID":"DB00715"},{"ID":"DB00806"},{"ID":"DB01174"},{"ID":"DB00812"},{"ID":"DB00252"},{"ID":"DB00554"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB01182"},{"ID":"DB00550"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00863"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00976"},{"ID":"DB00469"},{"ID":"DB00624"},{"ID":"DB00759"},{"ID":"DB00560"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01126","Name":"Dutasteride","DrugType":"small molecule","HalfLife":"5 weeks","Description":"Dutasteride belongs to a class of drugs called 5-alpha-reductase inhibitors, which block the action of the 5-alpha-reductase enzymes that convert testosterone into dihydrotestosterone (DHT). Finasteride also belongs to this group, but while dutasteride inhibits both isoforms of 5-alpha reductase, finasteride inhibits only one. Even so, a clinical study done by GlaxoSmithKline, the EPICS trial, did not find dutasteride to be more effective than finasteride in treating BPH. [Wikipedia]","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"For the treatment of symptomatic benign prostatic hyperplasia (BPH) in men with an enlarged prostate gland to improve symptoms, and reduce the risk of acute urinary retention and the need for surgery.","Toxicity":"","MechanismOfAction":"Dutasteride inhibits the conversion of testosterone to 5 alpha-dihydrotestosterone (DHT), which is the androgen primarily responsible for the initial development and subsequent enlargement of the prostate gland. Testosterone is converted to DHT by the enzyme 5 alpha-reductase, which exists as 2 isoforms, type 1 and type 2. Dutasteride is a competitive and specific inhibitor of both type 1 and type 2 5 alpha-reductase isoenzymes, with which it forms a stable enzyme complex. Dissociation from this complex has been evaluated under \u003ci\u003ein vitro\u003c/i\u003e and \u003ci\u003ein vivo\u003c/i\u003e conditions and is extremely slow. Dutasteride does not bind to the human androgen receptor.","Pharmacodynamics":"Dutasteride is a synthetic 4-azasteroid compound that is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5 alpha-reductase (5AR), intracellular enzymes that convert testosterone to 5 alpha-dihydrotestosterone (DHT). Type I 5a-reductase is predominant in the sebaceous glands of most regions of skin, including scalp, and liver. Type I 5a-reductase is responsible for approximately one-third of circulating DHT. The Type II 5a-reductase isozyme is primarily found in prostate, seminal vesicles, epididymides, and hair follicles as well as liver, and is responsible for two-thirds of circulating DHT.","Absorption":"60%","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01127","Name":"Econazole","DrugType":"small molecule","HalfLife":"","Description":"A broad spectrum antimycotic with some action against Gram positive bacteria. It is used topically in dermatomycoses also orally and parenterally. [PubChem]","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"For topical application in the treatment of tinea pedis, tinea cruris, and tinea corporis caused by \u003ci\u003eTrichophyton rubrum\u003c/i\u003e, \u003ci\u003eTrichophyton mentagrophytes\u003c/i\u003e, \u003ci\u003eTrichophyton tonsurans\u003c/i\u003e, \u003ci\u003eMicrosporum canis\u003c/i\u003e, \u003ci\u003eMicrosporum audouini\u003c/i\u003e, \u003ci\u003eMicrosporum gypseum\u003c/i\u003e, and \u003ci\u003eEpidermophyton floccosum\u003c/i\u003e, in the treatment of cutaneous candidiasis, and in the treatment of tinea versicolor.","Toxicity":"Overdosage of econazole in humans has not been reported to date. In mice, rats guinea pigs and dogs, the oral LD 50 values were found to be 462, 668, 272, and \u003e 160 mg/kg, respectively.","MechanismOfAction":"Econazole interacts with 14-\u0026alpha; demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Econazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis.","Pharmacodynamics":"Econazole is an antifungal medication related to fluconazole (Diflucan), ketoconazole (Nizoral), itraconazole (Sporanox), and clotrimazole (Lotrimin, Mycelex). Econazole prevents fungal organisms from producing vital substances required for growth and function. This medication is effective only for infections caused by fungal organisms. It will not work for bacterial or viral infections.","Absorption":"After topical application to the skin of normal subjects, systemic absorption of econazole nitrate is extremely low. Although most of the applied drug remains on the skin surface, drug concentrations were found in the stratum corneum which, by far, exceeded the minimum inhibitory concentration for dermatophytes.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01128","Name":"Bicalutamide","DrugType":"small molecule","HalfLife":"5.9 days","Description":"Bicalutamide is an oral non-steroidal anti-androgen for prostate cancer. It binds to the androgen receptor.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For treatment (together with surgery or LHRH analogue) of advanced prostatic cancer.","Toxicity":"","MechanismOfAction":"Bicalutamide competes with androgen for the binding of androgen receptors, consequently blocking the action of androgens of adrenal and testicular origin which stimulate the growth of normal and malignant prostatic tissue.","Pharmacodynamics":"Bicalutamide is an antineoplastic hormonal agent primarily used in the treatment of prostate cancer. Bicalutamide is a pure, nonsteroidal anti-androgen with affinity for androgen receptors (but not for progestogen, estrogen, or glucocorticoid receptors). Consequently, Bicalutamide blocks the action of androgens of adrenal and testicular origin which stimulate the growth of normal and malignant prostatic tissue. Prostate cancer is mostly androgen-dependent and can be treated with surgical or chemical castration. To date, antiandrogen monotherapy has not consistently been shown to be equivalent to castration.","Absorption":"Bicalutamide is well-absorbed following oral administration, although the absolute bioavailability is unknown.","Interactions":[{"ID":"DB01222"},{"ID":"DB01394"},{"ID":"DB00700"},{"ID":"DB01590"},{"ID":"DB00813"},{"ID":"DB01218"},{"ID":"DB08815"},{"ID":"DB00243"},{"ID":"DB06212"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01129","Name":"Rabeprazole","DrugType":"small molecule","HalfLife":"1-2 hours (in plasma)","Description":"Rabeprazole is an antiulcer drug in the class of proton pump inhibitors. It is a prodrug - in the acid environment of the parietal cells it turns into active sulphenamide form. Rabeprazole inhibits the H+, K+ATPase of the coating gastric cells and dose-dependent oppresses basal and stimulated gastric acid secretion.","Classification":{"Description":"This compound belongs to the sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.","DirectParent":"Sulfinylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Sulfinylbenzimidazoles"},"Indication":"For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use.","Toxicity":"","MechanismOfAction":"Rabeprazole belongs to a class of antisecretory compounds (substituted benzimidazole proton-pump inhibitors) that do not exhibit anticholinergic or histamine H2-receptor antagonist properties, but suppress gastric acid secretion by inhibiting the gastric H\u003csup\u003e+\u003c/sup\u003e/K\u003csup\u003e+\u003c/sup\u003eATPase (hydrogen-potassium adenosine triphosphatase) at the secretory surface of the gastric parietal cell. Because this enzyme is regarded as the acid (proton) pump within the parietal cell, rabeprazole has been characterized as a gastric proton-pump inhibitor. Rabeprazole blocks the final step of gastric acid secretion. In gastric parietal cells, rabeprazole is protonated, accumulates, and is transformed to an active sulfenamide. When studied in vitro, rabeprazole is chemically activated at pH 1.2 with a half-life of 78 seconds.","Pharmacodynamics":"Rabeprazole prevents the production of acid in the stomach. It reduces symptoms and prevents injury to the esophagus or stomach in patients with gastroesophageal reflux disease (GERD) or ulcers. Rabeprazole is also useful in conditions that produce too much stomach acid such as Zollinger-Ellison syndrome. Rabeprazole may also be used with antibiotics to get rid of bacteria that are associated with some ulcers. Rabeprazole is a selective and irreversible proton pump inhibitor, suppresses gastric acid secretion by specific inhibition of the H\u003csup\u003e+\u003c/sup\u003e, K\u003csup\u003e+\u003c/sup\u003e -ATPase, which is found at the secretory surface of parietal cells. In doing so, it inhibits the final transport of hydrogen ions (via exchange with potassium ions) into the gastric lumen.","Absorption":"Absolute bioavailability is approximately 52%.","Interactions":[{"ID":"DB01072"},{"ID":"DB01066"},{"ID":"DB00758"},{"ID":"DB01254"},{"ID":"DB00390"},{"ID":"DB00467"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB08864"},{"ID":"DB00755"}],"Salts":[{"ID":"DBSALT000552","Name":"Rabeprazole Sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01130","Name":"Prednicarbate","DrugType":"small molecule","HalfLife":"","Description":"Prednicarbate is a relatively new topical corticosteroid drug. It is similar in potency to hydrocortisone. It is used in the treatment of inflammatory skin diseases, such as atopic dermatitis. It has a favorable benefit-risk ratio, with an inflammatory action similar to that of a medium potency corticosteroid, but with a low potential to cause skin atrophy. The anti-inflammation action of corticosteroids is associated with the inhibition of the interleukin 1-alpha cytokine within keratinocytes. IL-1a is also found in fibroblasts, where it is responsible for proliferation, collagenase induction and IL-6 synthesis, which are related to skin thickness.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses.","Toxicity":"","MechanismOfAction":"In common with other topical corticosteroids, prednicarbate has anti-inflammatory, antipruritic, and vasoconstrictive properties. In general, the mechanism of the anti-inflammatory activity of topical steroids is unclear. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2.","Pharmacodynamics":"Corticosteroids diffuse across cell membranes and complex with specific cytoplasmic receptors. These complexes then enter the cell nucleus, bind to DNA (chromatin), and stimulate transcription of messenger RNA (mRNA) and subsequent protein synthesis of various inhibitory enzymes responsible for the anti-inflammatory effects of topical corticosteroids. These anti-inflammatory effects include inhibition of early processes such as edema, fibrin deposition, capillary dilatation, movement of phagocytes into the area, and phagocytic activities. Later processes, such as capillary production, collagen deposition, and keloid formation also are inhibited by corticosteroids.","Absorption":"Absorbed systemically across the stratum corneum.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01131","Name":"Proguanil","DrugType":"small molecule","HalfLife":"Approximately 20 hours","Description":"Proguanil is a prophylactic antimalarial drug, which works by stopping the malaria parasite, Plasmodium falciparum and Plasmodium vivax, from reproducing once it is in the red blood cells. It does this by inhibiting the enzyme, dihydrofolate reductase, which is involved in the reproduction of the parasite.","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For the causal prevention and suppression of malaria caused by susceptible strains of \u003ci\u003eP. falciparum\u003c/i\u003e and other species of Plasmodium found in some geographical areas of the world.","Toxicity":"","MechanismOfAction":"Proguanil inhibits the dihydrofolate reductase of plasmodia and thereby blocks the biosynthesis of purines and pyrimidines, which are essential for DNA synthesis and cell multiplication. This leads to failure of nuclear division at the time of schizont formation in erythrocytes and liver.","Pharmacodynamics":"Proguanil is a biguanide derivative that is converted to an active metabolite called cycloguanil. It exerts its antimalarial action by inhibiting parasitic dihydrofolate reductase enzyme. It has causal prophylactic and suppressive activity against \u003ci\u003eP. falciparum\u003c/i\u003e and cures the acute infection. It is also effective in suppressing the clinical attacks of vivax malaria. However it is slower compared to 4-aminoquinolines.","Absorption":"Rapidly and well absorbed in humans following oral doses ranging from 50 to 500 mg.","Interactions":[{"ID":"DB06697"},{"ID":"DB06708"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01132","Name":"Pioglitazone","DrugType":"small molecule","HalfLife":"3-7 hours","Description":"Pioglitazone is used for the treatment of diabetes mellitus type 2. Pioglitazone selectively stimulates nuclear receptor peroxisone proliferator-activated receptor gamma (PPAR-gamma). It modulates the transcription of the insulin-sensitive genes involved in the control of glucose and lipid metabolism in the lipidic, muscular tissues and in the liver.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Treatment of Type II diabetes mellitus","Toxicity":"Hypogycemia; LD\u003csub\u003e50\u003c/sub\u003e=mg/kg (orally in rat)","MechanismOfAction":"Pioglitazone acts as an agonist at peroxisome proliferator activated receptors (PPAR) in target tissues for insulin action such as adipose tissue, skeletal muscle, and liver. Activation of PPAR-gamma receptors increases the transcription of insulin-responsive genes involved in the control of glucose production, transport, and utilization. In this way, pioglitazone both enhances tissue sensitivity to insulin and reduces hepatic gluconeogenesis. Thus, insulin resistance associated with type 2 diabetes mellitus is improved without an increase in insulin secretion by pancreatic β cells.","Pharmacodynamics":"Pioglitazone, a member of the drug group known as the thiazolidinediones or \"insulin sensitizers\", is not chemically or functionally related to the alpha-glucosidase inhibitors, the biguanides, or the sulfonylureas. Pioglitazone targets insulin resistance and, hence, is used alone or in combination with insulin, metformin, or asulfonylurea as an antidiabetic agent.","Absorption":"Following oral administration, in the fasting state, pioglitazone is first measurable in serum within 30 minutes, with peak concentrations observed within 2 hours. Food slightly delays the time to peak serum concentration to 3 to 4 hours, but does not alter the extent of absorption.","Interactions":[{"ID":"DB00930"},{"ID":"DB01241"},{"ID":"DB01296"},{"ID":"DB01026"},{"ID":"DB01357"},{"ID":"DB00717"},{"ID":"DB00052"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00193"},{"ID":"DB00755"}],"Salts":[{"ID":"DBSALT000555","Name":"Pioglitazone Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01133","Name":"Tiludronate","DrugType":"small molecule","HalfLife":"Half-life in healthy subjects is 50 hours following administration of a 400 mg single oral dose. Half-life in pagetic patients is about 150 hours following administration of 400 mg tiludronate a day for 12 days. In patients with renal insufficiency (creatinine clearance between 11 and 18 mL per minute [mL/min]), half-life is 205 hours from plasma after administration of a single, oral dose equivalent to 400 mg tiludronate.","Description":"Tiludronate is a bisphosphonate characterized by a (4-chlorophenylthio) group on the carbon atom of the basic P-C-P structure common to all bisphosphonates.","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For treatment of Paget's disease of bone (osteitis deformans).","Toxicity":"Based on the known action of tiludronate, hypocalcemia is a potential consequence of overdose. In one patient with hypercalcemia of malignancy, intravenous administration of high doses (800 mg/day total dose, 6 mg/kg/day for 2 days) was associated with acute renal failure and death.","MechanismOfAction":"The bisphosphonate group binds strongly to the bone mineral, hydroxyapatite. This explains the specific pharmacological action of these compounds on mineralized tissues, especially bone. \u003ci\u003eIn vitro\u003c/i\u003e studies indicate that tiludronate acts primarily on bone through a mechanism that involves inhibition of osteoclastic activity with a probable reduction in the enzymatic and transport processes that lead to resorption of the mineralized matrix. Bone resorption occurs following recruitment, activation, and polarization of osteoclasts. Tiludronate appears to inhibit osteoclasts by at least two mechanisms: disruption of the cytoskeletal ring structure, possibly by inhibition of protein-tyrosine-phosphatase, thus leading to detachment of osteoclasts from the bone surface and the inhibition of the osteoclastic proton pump.","Pharmacodynamics":"Tiludronate is a first generation (non-nitrogenous) bisphosphonate in the same family as etidronate and clodronate. Tiludronate affects calcium metabolism and inhibits bone resorption and soft tissue calcification. Of the tiludronate that is resorbed (from oral preparation) or infused (for intravenous drugs), about 50% is excreted unchanged by the kidney. The remainder has a very high affinity for bone tissue, and is rapidly absorbed onto the bone surface.","Absorption":"The mean oral bioavailability in healthy male subjects is 6% after an oral dose equivalent to 400 mg tiludronic acid administered after an overnight fast and 4 hours before a standard breakfast. In single-dose studies, bioavailability was reduced by 90% when an oral dose equivalent to 400 mg tiludronic acid was administered with, or 2 hours after, a standard breakfast compared to the same dose administered after an overnight fast and 4 hours before a standard breakfast.","Interactions":[{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB01377"},{"ID":"DB00653"}],"Salts":[{"ID":"DBSALT000411","Name":"Tiludronate Disodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01134","Name":"Desoxycorticosterone Pivalate","DrugType":"small molecule","HalfLife":"","Description":"Desoxycorticosterone Pivalate is a mineralocorticoid hormone and an analog of desoxycorticosterone. It is white, odorless, and stable in air. It is practically insoluble in water, sparingly soluble in acetone, slightly soluble in methanol, ether and vegetable oils. Federal (U.S.A.) law restricts this drug to use by or on the order of a licensed veterinarian.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"Examined for treatment of adrenocortical insufficiency especially in multiple sclerosis, congenital cerebral palsy, polyarteritis nodosa, and rheumatoid arthritis. Currently only approved in treating cats and dogs for the treatment of Addison's disease.","Toxicity":"Symptoms of overdose include polyuria, polydipsia, increased blood volume, edema, and cardiac enlargement.","MechanismOfAction":"Desoxycorticosterone Pivalate binds to the mineralocorticoid receptor. Mineralocorticoids are a family of steroids, secreted by the adrenal cortex, necessary for the regulation of a number of metabolic processes including electrolyte regulation. Desoxycorticosterone pivalate exerts its effect through its interaction with the mineralocorticoid receptor (MR), whereby it reacts with the receptor proteins to form a steroid-receptor complex. This complex moves into the nucleus, where it binds to chromatin which results in genetic transcription of cellular DNA to messenger RNA. The steroid hormones appear to induce transcription and synthesis of specific proteins, which produce the physiological effects seen after administration.","Pharmacodynamics":"Used to treat adrenocortical insufficiency, desoxycorticosterone pivalate is a mineralocorticoid hormone and an analogue of desoxycorticosterone. It primarily acts on the metabolism of sodium, potassium and water. When the drug is given, there is decreased excretion of sodium accompanied by increased excretion of potassium; the concentration of sodium in the blood is thereby increased whereas that of potassium is decreased. There is a concomitant increase in the volume of blood and extracellular fluids, with a fall in hematocrit. It increases the rate of renal tubular absorption of sodium.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01135","Name":"Doxacurium chloride","DrugType":"small molecule","HalfLife":"99 minutes in normal healthy adults.","Description":"Doxacurium chloride is a long-acting, nondepolarizing skeletal muscle relaxant for intravenous administration.","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"Used to provide skeletal muscle relaxation as an adjunct to general anesthesia, for endotracheal intubation or to facilitate mechanical ventilation.","Toxicity":"Overdosage with neuromuscular blocking agents may result in neuromuscular block beyond the time needed for surgery and anesthesia.","MechanismOfAction":"Doxacurium chloride binds competitively to cholinergic receptors on the motor end-plate to antagonize the action of acetylcholine, resulting in a block of neuromuscular transmission (non-depolarizing). This action is antagonized by acetylcholinesterase inhibitors, such as neostigmine.","Pharmacodynamics":"Doxacurium chloride is a long-acting, nondepolarizing skeletal muscle relaxant. The neuromuscular block produced by doxacurium chloride may be antagonized by anticholinesterase agents. As with other nondepolarizing neuromuscular blocking agents, the more profound the neuromuscular block at reversal, the longer the time and the greater the dose of anticholinesterase required for recovery of neuromuscular function. Doxacurium chloride is approximately 2.5 to 3 times more potent than pancuronium and 10 to 12 times more potent than metocurine.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB01223"},{"ID":"DB00993"},{"ID":"DB00564"},{"ID":"DB01190"},{"ID":"DB01320"},{"ID":"DB00798"},{"ID":"DB01627"},{"ID":"DB01033"},{"ID":"DB00955"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB00277"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01136","Name":"Carvedilol","DrugType":"small molecule","HalfLife":"7-10 hours","Description":"Carvedilol is a non-selective beta blocker indicated in the treatment of mild to moderate congestive heart failure (CHF). It blocks beta-1 and beta-2 adrenergic receptors as well as the alpha-1 adrenergic receptors.","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"For the treatment of mild or moderate (NYHA class II or III) heart failure of ischemic or cardiomyopathic origin.","Toxicity":"Not expected to be toxic following ingestion.","MechanismOfAction":"Carvedilol is a racemic mixture in which nonselective beta-adrenoreceptor blocking activity is present in the S(-) enantiomer and alpha-adrenergic blocking activity is present in both R(+) and S(-) enantiomers at equal potency. Carvedilol's beta-adrenergic receptor blocking ability decreases the heart rate, myocardial contractility, and myocardial oxygen demand. Carvedilol also decreases systemic vascular resistance via its alpha adrenergic receptor blocking properties. Carvedilol and its metabolite BM-910228 (a less potent beta blocker, but more potent antioxidant) have been shown to restore the inotropic responsiveness to Ca\u003csup\u003e2+\u003c/sup\u003e in OH\u003csup\u003e-\u003c/sup\u003e free radical-treated myocardium. Carvedilol and its metabolites also prevent OH\u003csup\u003e-\u003c/sup\u003e radical-induced decrease in sarcoplasmic reticulum Ca\u003csup\u003e2+\u003c/sup\u003e-ATPase activity. Therefore, carvedilol and its metabolites may be beneficial in chronic heart failure by preventing free radical damage.","Pharmacodynamics":"Carvedilol is a nonselective beta-adrenergic blocking agent with alpha1-blocking activity and is indicated for the treatment of hypertension and mild or moderate (NYHA class II or III) heart failure of ischemic or cardiomyopathic origin. Carvedilol is a racemic mixture in which nonselective b-adrenoreceptor blocking activity is present in the S(-) enantiomer and a-adrenergic blocking activity is present in both R(+) and S(-) enantiomers at equal potency. Carvedilol has no intrinsic sympathomimetic activity. The effect of carvedilol's b-adrenoreceptor blocking activity has been demonstrated in animal and human studies showing that carvedilol (1) reduces cardiac output in normal subjects; (2) reduces exercise-and/or isoproterenol-induced tachycardia and (3) reduces reflex orthostatic tachycardia.","Absorption":"Carvedilol is rapidly and extensively absorbed following oral administration, with an absolute bioavailability of approximately 25% to 35% due to a significant degree of first-pass metabolism.","Interactions":[{"ID":"DB00414"},{"ID":"DB00672"},{"ID":"DB00215"},{"ID":"DB00575"},{"ID":"DB00091"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB06414"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01306"},{"ID":"DB01307"},{"ID":"DB00047"},{"ID":"DB01309"},{"ID":"DB00046"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB00715"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB01366"},{"ID":"DB00912"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB01104"},{"ID":"DB01162"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB01030"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00367","Drugs":["DB01136","DB01345","DB01373"]}]},{"ID":"DB01137","Name":"Levofloxacin","DrugType":"small molecule","HalfLife":"6-8 hours","Description":"A synthetic fluoroquinolone (fluoroquinolones) antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. [PubChem]","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of bacterial conjunctivitis caused by susceptible strains of the following organisms: \u003ci\u003eCorynebacterium\u003c/i\u003e species, \u003ci\u003eStaphylococus aureus\u003c/i\u003e, \u003ci\u003eStaphylococcus epidermidis\u003c/i\u003e, \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, \u003ci\u003eStreptococcus\u003c/i\u003e (Groups C/F/G), Viridans group streptococci, \u003ci\u003eAcinetobacter lwoffii\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e, \u003ci\u003eSerratia marcescens\u003c/i\u003e.","Toxicity":"Side effects include disorientation, dizziness, drowsiness, hot and cold flashes, nausea, slurring of speech, swelling and numbness in the face","MechanismOfAction":"Levofloxacin inhibits bacterial type II topoisomerases, topoisomerase IV and DNA gyrase. Levofloxacin, like other fluoroquinolones, inhibits the A subunits of DNA gyrase, two subunits encoded by the gyrA gene. This results in strand breakage on a bacterial chromosome, supercoiling, and resealing; DNA replication and transcription is inhibited.","Pharmacodynamics":"Levofloxacin, a fluoroquinolone antiinfective, is the optically active L-isomer of ofloxacin. Levofloxacin is used to treat bacterial conjunctivitis, sinusitis, chronic bronchitis, community-acquired pneumonia and pneumonia caused by penicillin-resistant strains of \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, skin and skin structure infections, complicated urinary tract infections and acute pyelonephritis.","Absorption":"Absorption of ofloxacin after single or multiple doses of 200 to 400 mg is predictable, and the amount of drug absorbed increases proportionately with the dose.","Interactions":[{"ID":"DB01418"},{"ID":"DB01370"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB01244"},{"ID":"DB01158"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB00477"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB00280"},{"ID":"DB00199"},{"ID":"DB00623"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01321"},{"ID":"DB06708"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00850"},{"ID":"DB01035"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB00777"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00489"},{"ID":"DB00364"},{"ID":"DB00864"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB01593"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT001001","Name":"Levofloxacin hemihydrate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01138","Name":"Sulfinpyrazone","DrugType":"small molecule","HalfLife":"Approximately 4-6 hours","Description":"A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties. [PubChem]","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the treatment of gout and gouty arthritis.","Toxicity":"Symptoms of overdose include nausea, vomiting, diarrhea, epigastric pain, ataxia, labored respiration, convulsions, coma. Possible symptoms, seen after overdosage with other pyrazolone derivatives: anemia, jaundice, and ulceration.","MechanismOfAction":"Sulfinpyrazone is an oral uricosuric agent (pyrazolone derivative) used to treat chronic or intermittent gouty arthritis. Sulfinpyrazone competitively inhibits the reabsorption of uric acid at the proximal convoluted tubule, thereby facilitating urinary excretion of uric acid and decreasing plasma urate concentrations. This is likely done through inhibition of the urate anion transporter (hURAT1) as well as the human organic anion transporter 4 (hOAT4). Sulfinpyrazone is not intended for the treatment of acute attacks because it lacks therapeutically useful analgesic and anti-inflammatory effects. Sulfinpyrazone and its sulfide metabolite possess COX inhibitory effects. Sulfinpyrazone has also been shown to be a UDP-glucuronsyltransferase inhibitor and a very potent CYP2C9 inhibitor. Sulfinpyrazone is also known to be a cystic fibrosis transmembrane conductance regulator (CFTR) inhibitor as well as an inhibitor of several multridrug resistance proteins (MRPs). ","Pharmacodynamics":"Sulfinpyrazone's pharmacologic activity is the potentiation of the urinary excretion of uric acid. It is useful for reducing the blood urate levels in patients with chronic tophaceous gout and acute intermittent gout, and for promoting the resorption of tophi.","Absorption":"","Interactions":[{"ID":"DB00091"},{"ID":"DB01124"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01139","Name":"Cefapirin","DrugType":"small molecule","HalfLife":"","Description":"Cefapirin (INN, also spelled cephapirin) is an injectable, first-generation cephalosporin antibiotic. It is marketed under the trade name Cefadyl. Production for use in humans has been discontinued in the United States. Cefapirin is partly plasma-bound and is effective against gram-negative and gram-positive organisms.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For treatment of infections caused by susceptible bacteria.","Toxicity":"Rats exposed via the oral route to cephapirin displayed low acute toxicity (LD\u003csub\u003e50\u003c/sub\u003e = 14000 mg/kg). The most common adverse reactions are hypersensitivity reactions and alterations to liver function. Evidence of white blood cell disorders and anaemia were noted in some subjects.","MechanismOfAction":"The bactericidal activity of cephapirin results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs).","Pharmacodynamics":"Cephapirin is a first-generation cephalosporin that has a wide spectrum of activity against gram-positive and gram-negative organisms. Cephapirin is more resistant to beta-lactamases than are the penicillins and so is effective against staphylococci, with the exception of methicillin-resistant staphylococci.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000264","Name":"Cefapirin Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01140","Name":"Cefadroxil","DrugType":"small molecule","HalfLife":"1.5 hours","Description":"Long-acting, broad-spectrum, water-soluble, cephalexin derivative. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of the following infections (skin, UTI, ENT) caused by; \u003ci\u003eS. pneumoniae, H. influenzae, staphylococci, S. pyogenes\u003c/i\u003e (group A beta-hemolytic streptococci), \u003ci\u003eE. coli, P. mirabilis, Klebsiella\u003c/i\u003e sp, coagulase-negative staphylococci and \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e","Toxicity":"Nausea, vomiting, diarrhoea, allergic rashes may occur","MechanismOfAction":"Like all beta-lactam antibiotics, cefadroxil binds to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, causing the inhibition of the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cefadroxil interferes with an autolysin inhibitor.","Pharmacodynamics":"Cefadroxil, a first-generation cephalosporin antibiotic, is used to treat urinary tract infections, skin and skin structure infections, pharyngitis, and tonsillitis.","Absorption":"Cefadroxil is well absorbed on oral administration; food does not interfere with its absorption.","Interactions":[{"ID":"DB01032"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB01141","Name":"Micafungin","DrugType":"small molecule","HalfLife":"14-17 hours","Description":"Micafungin is an antifungal drug. It belongs to the antifungal class of compounds known as echinocandins and exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use in the treatment of candidemia, acute disseminated candidiasis, and certain other invasive \u003ci\u003eCandida\u003c/i\u003e infections, as well as esophageal candidiasis, and prophylaxis of \u003ci\u003eCandida\u003c/i\u003e infections in patients undergoing hematopoietic stem cell transplantation. Micafungin is also used as an alternative for the treatment of oropharyngeal candidiases and has been used with some success as primary or salvage therapy, alone or in combination with other antifungals, for the treatment of invasive aspergillosis.","Toxicity":"Intravenous LD\u003csub\u003e50\u003c/sub\u003e in rats is 125mg/kg. In dogs it is \u003e200mg/kg. No cases of overdosage have been reported. Repeated daily doses up to 8 mg/kg (maximum total dose of 896 mg) in adult patients have been administered in clinical trials with no reported dose-limiting toxicity. The minimum lethal dose is 125 mg/kg in rats, equivalent to 8.1 times the recommended human clinical dose for esophageal candidiasis based on body surface area comparisons.","MechanismOfAction":"Micafungin inhibits the synthesis of beta-1,3-D-glucan, an essential component of fungal cell walls which is not present in mammalian cells. It does this by inhibiting beta-1,3-D-glucan synthase.","Pharmacodynamics":"Formerly known as FK463, micafungin is a semisynthetic lipopeptide synthesized from a fermentation product of \u003ci\u003eColeophoma empetri\u003c/i\u003e that works as an antifungal agent. It is a glucan synthesis inhibitor of the echinocandin structural class. The U.S. Food and Drug Administration approved micafungin in March 2005. Micafungin inhibits an enzyme essential for fungal cell-wall synthesis. Depending on its concentration, micafungin may be fungicidal against some \u003ci\u003eCandida\u003c/i\u003e, but is usually fungistatic against \u003ci\u003eApergillus\u003c/i\u003e. Micafungin can be used concomitantly with a variety of other drugs, including the HIV protease inhibitor ritonavir and the transplant medications cyclosporine and tacrolimus.","Absorption":"Not absorbed orally","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01142","Name":"Doxepin","DrugType":"small molecule","HalfLife":"6 - 24.5 hours","Description":"Doxepin hydrochloride is a dibenzoxepin-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, doxepin does not affect mood or arousal, but may cause sedation. In depressed individuals, doxepin exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as doxepin and amitriptyline, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline and desipramine. TCAs also down-regulate cerebral cortical \u0026beta;-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine H\u003csub\u003e1\u003c/sub\u003e receptors, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. Doxepin has less sedative and anticholinergic effects than amitriptyline. See toxicity section below for a complete listing of side effects. Doxepin may be used to treat depression and insomnia. Unlabeled indications include chronic and neuropathic pain, and anxiety. Doxepin may also be used as a second line agent to treat idiopathic urticaria. ","Classification":{"Description":"This compound belongs to the dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.","DirectParent":"Dibenzoxepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxepines","SubClass":"Dibenzoxepines"},"Indication":"Doxepin is used for the treatment of depression and/or anxiety. It can also be used for chronic urticaria and in the management of pain. ","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=26 (mg/kg) (in mice, iv); LD\u003csub\u003e50\u003c/sub\u003e=16 (mg/kg) (in rats, iv); Cardiac dysrhythmias, severe hypotension, convulsions, and CNS depression, including coma. Changes in the electrocardiogram, particularly in QRS axis or width, are clinically significant indicators of tricyclic antidepressant toxicity. \r\nSide effects include: sedation, hypotension, blurred vision, dry mouth, constipation, urinary retention, postural hypotension, tachycardia, hypertension, ECG changes, heart failure, impaired memory and delirium, and precipitation of hypomanic or manic episodes in bipolar depression. \r\nWithdrawal symptoms include gastrointestinal disturbances, anxiety, and insomnia. \r\n","MechanismOfAction":"The mechanism of action of doxepin is not completely understood. It is thought that like amitriptyline, doxepin enhances the actions of norepinephrine and serotonin by blocking their reuptake at the neuronal membrane. However, doxepin weakly inhibits the reuptake of dopamine. Doxepin may also act on histamine H\u003csub\u003e1\u003c/sub\u003e-receptors, resulting in sedative effects, and \u0026beta;-adrenergic receptors. It is also an antagonist of 5-hydroxytryptamine (serotonin) receptors, alpha-1 adrenergic receptor, and muscarinic cholinergic receptors. ","Pharmacodynamics":"Doxepin, a tricyclic antidepressant of the dibenzoxepin type, is used to treat depression and anxiety and, topically, pruritus associated with eczema. Doxepin has substantial anticholinergic and sedative effects. The E (trans)-isomer is more active as a serotonin reuptake inhibitor while the Z-isomer acts as a sedative. ","Absorption":"Well-absorbed from the GI tract. Peak plasma concentrations occur within 2 hours of oral administration. ","Interactions":[{"ID":"DB00488"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB01341"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB01064"},{"ID":"DB06708"},{"ID":"DB01365"},{"ID":"DB00933"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB01171"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB00780"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01001"},{"ID":"DB01105"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB00730"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000059","Name":"Doxepin Hydrochloride "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00641","Drugs":["DB01142"]}]},{"ID":"DB01143","Name":"Amifostine","DrugType":"small molecule","HalfLife":"8 minutes","Description":"A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For reduction in the cumulative renal toxicity in patients with ovarian cancer (using cisplatin) and moderate to severe xerostomia in patients undergoing post-operative radiation treatment for head and neck cancer.","Toxicity":"Rat LD\u003csub\u003e50\u003c/sub\u003e: 826 mg/kg","MechanismOfAction":"The thiol metabolite is responsible for most of the cytoprotective and radioprotective properties of amifostine. It is readily taken up by cells where it binds to and detoxifies reactive metabolites of platinum and alkylating agents as well as scavenges free radicals. Other possible effects include inhibition of apoptosis, alteration of gene expression and modification of enzyme activity.","Pharmacodynamics":"Amifostine is an organic thiophosphate cytoprotective agent indicated to reduce the cumulative renal toxicity associated with repeated administration of cisplatin in patients with advanced ovarian cancer or non-small cell lung cancer and also to reduce the incidence of moderate to severe xerostomia in patients undergoing post-operative radiation treatment for head and neck cancer. Amifostine is a prodrug that is dephosphorylated by alkaline phosphatase in tissues to a pharmacologically active free thiol metabolite, believed to be responsible for the reduction of the cumulative renal toxicity of cisplatin and for the reduction of the toxic effects of radiation on normal oral tissues. Healthy cells are preferentially protected because amifostine and metabolites are present in healthy cells at 100-fold greater concentrations than in tumour cells.","Absorption":"","Interactions":[{"ID":"DB09026"},{"ID":"DB08822"},{"ID":"DB00880"},{"ID":"DB00966"},{"ID":"DB01162"},{"ID":"DB00839"},{"ID":"DB00214"},{"ID":"DB00519"},{"ID":"DB01021"},{"ID":"DB00177"},{"ID":"DB00661"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01144","Name":"Diclofenamide","DrugType":"small molecule","HalfLife":"","Description":"A carbonic anhydrase inhibitor that is used in the treatment of glaucoma. [PubChem]","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For adjunctive treatment of: chronic simple (open-angle) glaucoma, secondary glaucoma, and preoperatively in acute angle-closure glaucoma where delay of surgery is desired in order to lower intraocular pressure","Toxicity":"","MechanismOfAction":"Carbonic anhydrase inhibitors reduce intraocular pressure by partially suppressing the secretion of aqueous humor (inflow), although the mechanism by which they do this is not fully understood. Evidence suggests that HCO\u003csup\u003e3-\u003c/sup\u003e ions are produced in the ciliary body by hydration of carbon dioxide under the influence of carbonic anhydrase and diffuse into the posterior chamber which contains more Na\u003csup\u003e+\u003c/sup\u003e and HCO\u003csup\u003e3-\u003c/sup\u003e ions than does plasma and consequently is hypertonic. Water is then attracted to the posterior chamber by osmosis, resulting in a drop in pressure.","Pharmacodynamics":"Dichlorphenamide is an oral carbonic anhydrase inhibitor indicated for adjunctive treatment of: chronic simple (open-angle) glaucoma, secondary glaucoma, and preoperatively in acute angle-closure glaucoma where delay of surgery is desired in order to lower intraocular pressure. Carbonic anhydrase inhibitors reduce intraocular pressure by partially suppressing the secretion of aqueous humor (inflow).","Absorption":"","Interactions":[{"ID":"DB00945"},{"ID":"DB01194"},{"ID":"DB01043"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01145","Name":"Sulfoxone","DrugType":"small molecule","HalfLife":"3-8 hours","Description":"Sulfoxone is a water-soluble sulfone used as an antileprosy drug. It has been used with limited success in the treatment of dermatitis herpetiformis.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the treatment of leprosy and dermatitis herpetiformis","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 7000 mg/kg","MechanismOfAction":"Sulfoxone is a competitive inhibitor of bacterial enzyme dihydropteroate synthetase. The normal substrate for the enzyme, para-aminobenzoic acid (PABA) cannot bind as usual. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Pharmacodynamics":"Sulfoxone is a sulfonamide antibiotic. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"Rapidly absorbed.","Interactions":null,"Salts":[{"ID":"DBSALT000408","Name":"Sulfoxone Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01146","Name":"Diphenylpyraline","DrugType":"small molecule","HalfLife":"","Description":"Diphenylpyraline is an antihistamine. Antihistamines used in the treatment of allergy act by competing with histamine for H 1-receptor sites on effector cells. Antihistamines prevent, but do not reverse, responses mediated by histamine alone. Antihistamines antagonize, in varying degrees, most of the pharmacological effects of histamine, including urticaria and pruritus.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For use in the treatment of allergic rhinitis, hay fever, and allergic skin disorders.","Toxicity":"","MechanismOfAction":"Antihistamines such as diphenylpyraline used in the treatment of allergy act by competing with histamine for H1-receptor sites on effector cells. This reduces the effects of histamine, leading to a temporary reduction of allergy symptoms.","Pharmacodynamics":"Diphenylpyraline is an antihistamine that prevents, but does not reverse, responses mediated by histamine alone. Diphenylpyraline antagonizes most of the pharmacological effects of histamine, including urticaria and pruritus. Also, diphenylpyraline may exhibit anticholinergic actions (as do most of the antihistamines) and may thus provide a drying effect on the nasal mucosa.","Absorption":"Well absorbed after oral administration.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"}],"Salts":[{"ID":"DBSALT000807","Name":"Diphenylpyraline Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01147","Name":"Cloxacillin","DrugType":"small molecule","HalfLife":"","Description":"A semi-synthetic antibiotic that is a chlorinated derivative of oxacillin. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to treat infections caused by penicillinase-producing staphylococci, including pneumococci, group A beta-hemolytic streptococci, and penicillin G-sensitive and penicillin G-resistant staphylococci.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat and mouse is 5000 mg/kg. Intravenous LD\u003csub\u003e50\u003c/sub\u003e in rat is 1660 mg/kg. Symptoms of overdose include wheezing, tightness in the chest, fever, itching, bad cough, blue skin color, fits, and swelling of face, lips, tongue, or throat.","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, cloxacillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cloxacillin interferes with an autolysin inhibitor.","Pharmacodynamics":"Cloxacillin is a semisynthetic antibiotic in the same class as penicillin. Cloxacillin is for use against staphylococci that produce beta-lactamase.","Absorption":"Well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT000249","Name":"Cloxacillin Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01148","Name":"Flavoxate","DrugType":"small molecule","HalfLife":"","Description":"A drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist. [PubChem]","Classification":{"Description":"This compound belongs to the flavones. These are flavonoids whose structure is based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).","DirectParent":"Flavones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"For symptomatic relief of dysuria, urgency, nocturia, suprapubic pain, frequency and incontinence as may occur in cystitis, prostatitis, urethritis, urethrocystitis/urethrotrigonitis.","Toxicity":"The oral LD50 for flavoxate HCl in rats is 4273 mg/kg. The oral LD50 for flavoxate HCl in mice is 1837 mg/kg. Symptoms of overdose include convulsions, decreased ability to sweat, (warm, red skin, dry mouth, and increased body temperature), hallucinations, increased heart rate and blood pressure, and mental confusion.","MechanismOfAction":"Flavoxate acts as a direct antagonist at muscarinic acetylcholine receptors in cholinergically innervated organs. Its anticholinergic-parasympatholytic action reduces the tonus of smooth muscle in the bladder, effectively reducing the number of required voids, urge incontinence episodes, urge severity and improving retention, facilitating increased volume per void.","Pharmacodynamics":"Flavoxate is a spasmolytic flavone derivative that acts by relaxing the smooth muscle in the urinary tract. Flavoxate is a competitive muscarinic receptor antagonist indicated for the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and urinary frequency. Muscarinic receptors play an important role in several major cholin-ergically mediated functions, including contractions of urinary bladder smooth muscle and stimulation of salivary secretion.","Absorption":"Well absorbed from gastrointestinal tract.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000407","Name":"Flavoxate Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01149","Name":"Nefazodone","DrugType":"small molecule","HalfLife":"2-4 hours","Description":"Nefazodone hydrochloride (trade name Serzone) is an antidepressant drug marketed by Bristol-Myers Squibb. Its sale was discontinued in 2003 in some countries, due to the small possibility of hepatic (liver) injury, which could lead to the need for a liver transplant, or even death. The incidence of severe liver damage is approximately 1 in 250,000 to 300,000 patient-years. On May 20, 2004, Bristol-Myers Squibb discontinued the sale of Serzone in the United States. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"For the treatment of depression.","Toxicity":"Cases of life-threatening hepatic failure have been reported in patients treated\r\nwith nefazodone.","MechanismOfAction":"Within the serotonergic system, nefazodone acts as an antagonist at type 2 serotonin (5-HT\u003csub\u003e2\u003c/sub\u003e) post-synaptic receptors and, like fluoxetine-type antidepressants, inhibits pre-synaptic serotonin (5-HT) reuptake. These mechanisms increase the amount of serotonin available to interact with 5-HT receptors. Within the noradrenergic system, nefazodone inhibits norepinephrine uptake minimally. Nefazodone also antagonizes alpha(1)-adrenergic receptors, producing sedation, muscle relaxation, and a variety of cardiovascular effects. Nefazodone's affinity for benzodiazepine, cholinergic, dopaminergic, histaminic, and beta or alpha(2)-adrenergic receptors is not significant.","Pharmacodynamics":"Nefazodone, an antidepressant synthetically derived phenylpiperazine, is used to treat major depression. Although it is structurally similar to trazodone, nefazodone has a mechanism of action different from other antidepressants and, hence, lacks the risk for major cardiovascular toxicity seen with tricyclics and insomnia and inhibition of REM sleep seen with the selective serotonin reuptake inhibitors.","Absorption":"Nefazodone is rapidly and completely absorbed. Its absolute bioavailability is low (about 20%).","Interactions":[{"ID":"DB05812"},{"ID":"DB00918"},{"ID":"DB00673"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB01558"},{"ID":"DB00490"},{"ID":"DB06772"},{"ID":"DB00564"},{"ID":"DB00439"},{"ID":"DB01166"},{"ID":"DB00604"},{"ID":"DB00091"},{"ID":"DB06695"},{"ID":"DB08912"},{"ID":"DB01219"},{"ID":"DB00496"},{"ID":"DB06700"},{"ID":"DB00320"},{"ID":"DB04855"},{"ID":"DB00216"},{"ID":"DB00700"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB00998"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00455"},{"ID":"DB00227"},{"ID":"DB00952"},{"ID":"DB06589"},{"ID":"DB00780"},{"ID":"DB01100"},{"ID":"DB08901"},{"ID":"DB01367"},{"ID":"DB00953"},{"ID":"DB06335"},{"ID":"DB01105"},{"ID":"DB00641"},{"ID":"DB01591"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB00906"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00315"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":[{"ID":"DBSALT000406","Name":"Nefazodone Hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB01150","Name":"Cefprozil","DrugType":"small molecule","HalfLife":"1.3 hours","Description":"Cefprozil is a cephalosporin antibiotic. It can be used to treat bronchitis, ear infections, skin infections, and other bacterial infections.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of the following infections (respiratory, skin, soft tissue, UTI, ENT) caused by; S. pneumoniae, H. influenzae, staphylococci, S. pyogenes (group A beta-hemolytic streptococci), E. coli, P. mirabilis, Klebsiella sp, coagulase-negative staph","Toxicity":"Single 5000 mg/kg oral doses of cefprozil caused no mortality or signs of toxicity in adult, weaning or neonatal rats, or adult mice. A single oral dose of 3000 mg/kg caused diarrhea and loss of appetite in cynomolgus monkeys, but no mortality.","MechanismOfAction":"Cefprozil, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cefprozil interferes with an autolysin inhibitor.","Pharmacodynamics":"Cefprozil, a semisynthetic, second-generation cephalosporin, is used to treat otitis media, soft-tissue infections, and respiratory tract infections.","Absorption":"Oral bioavailability is approximately 95%.","Interactions":[{"ID":"DB01032"}],"Salts":[{"ID":"DBSALT001051","Name":"Cefprozil monohydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01151","Name":"Desipramine","DrugType":"small molecule","HalfLife":"7-60+ hours; 70% eliminated renally","Description":"Desipramine hydrochloride is a dibenzazepine-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, desipramine does not affect mood or arousal, but may cause sedation. In depressed individuals, desipramine exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Secondary amine TCAs, such as desipramine and nortriptyline, are more potent inhibitors of norepinephrine reuptake than tertiary amine TCAs, such as amitriptyline and doxepine. TCAs also down-regulate cerebral cortical \u0026beta;-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H\u003csub\u003e1\u003c/sub\u003e receptors, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Desipramine exerts less anticholinergic and sedative side effects compared to tertiary amine TCAs, such as amitriptyline and clomipramine. Desipramine may be used to treat depression, neuropathic pain (unlabeled use), agitation and insomnia (unlabeled use) and attention-deficit hyperactivity disorder (unlabeled use). ","Classification":{"Description":"This compound belongs to the dibenzazepines. These are compounds with two benzene rings connected by an azepine ring.","DirectParent":"Dibenzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":"Dibenzazepines"},"Indication":"For relief of symptoms in various depressive syndromes, especially endogenous depression. It has also been used to manage chronic peripheral neuropathic pain, as a second line agent for the management of anxiety disorders (e.g. panic disorder, generalized anxiety disorder), and as a second or third line agent in the ADHD management. ","Toxicity":"Male mice: LD50 = 290 mg/kg, female rats: LD50 = 320 mg/kg. Antagonism of the histamine H\u003csub\u003e1\u003c/sub\u003e and \u0026alpha;\u003csub\u003e1\u003c/sub\u003e receptors can lead to sedation and hypotension. Antimuscarinic activity confers anticholinergic side effects such as blurred vision, dry mouth, constipation and urine retention may occur. Cardiotoxicity may occur with high doses of desipramine. Cardiovascular side effects in postural hypotension, tachycardia, hypertension, ECG changes and congestive heart failure. Psychotoxic effects include impaired memory and delirium. Induction of hypomanic or manic episodes may occur in patients with a history of bipolar disorder. Withdrawal symptoms include GI disturbances (e.g. nausea, vomiting, abdominal pain, diarrhea), anxiety, insomnia, nervousness, headache and malaise.","MechanismOfAction":"Desipramine is a tricyclic antidepressant (TCA) that selectively blocks reuptake of norepinephrine (noradrenaline) from the neuronal synapse. It also inhibits serotonin reuptake, but to a lesser extent compared to tertiary amine TCAs such as imipramine. Inhibition of neurotransmitter reuptake increases stimulation of the post-synaptic neuron. Chronic use of desipramine also leads to down-regulation of beta-adrenergic receptors in the cerebral cortex and sensitization of serotonergic receptors. An overall increase in serotonergic transmission likely confers desipramine its antidepressant effects. Desipramine also possesses minor anticholinergic activity, through its affinity for muscarinic receptors. TCAs are believed to act by restoring normal levels of neurotransmitters via synaptic reuptake inhibition and by increasing serotonergic neurotransmission via serotonergic receptor sensitization in the central nervous system.","Pharmacodynamics":"Desipramine, a secondary amine tricyclic antidepressant, is structurally related to both the skeletal muscle relaxant cyclobenzaprine and the thioxanthene antipsychotics such as thiothixene. It is the active metabolite of imipramine, a tertiary amine TCA. The acute effects of desipramine include inhibition of noradrenaline re-uptake at noradrenergic nerve endings and inhibition of serotonin (5-hydroxy tryptamine, 5HT) re-uptake at the serotoninergic nerve endings in the central nervous system. Desipramine exhibits greater noradrenergic re-uptake inhibition compared to the tertiary amine TCA imipramine. In addition to inhibiting neurotransmitter re-uptake, desipramine down-regulates beta-adrenergic receptors in the cerebral cortex and sensitizes serotonergic receptors with chronic use. The overall effect is increased serotonergic transmission. Antidepressant effects are typically observed 2 - 4 weeks following the onset of therapy though some patients may require up to 8 weeks of therapy prior to symptom improvement. Patients experiencing more severe depressive episodes may respond quicker than those with mild depressive symptoms.","Absorption":"Desipramine hydrochloride is rapidly and almost completely absorbed from the gastrointestinal tract. It undergoes extensive first-pass metabolism. Peak plasma concentrations are attained 4 - 6 hours following oral administration. ","Interactions":[{"ID":"DB00488"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB06237"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB01341"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB00476"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB05039"},{"ID":"DB01247"},{"ID":"DB01064"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB08893"},{"ID":"DB01171"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB00780"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01001"},{"ID":"DB01105"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000042","Name":"Desipramine Hydrochloride "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00625","Drugs":["DB01151"]},{"ID":"SMP00626","Drugs":["DB01151"]},{"ID":"SMP00423","Drugs":["DB00368","DB00988","DB01151","DB01345","DB01373"]},{"ID":"SMP00422","Drugs":["DB00368","DB00988","DB01151","DB01345","DB01373"]}]},{"ID":"DB01152","Name":"Candicidin","DrugType":"small molecule","HalfLife":"","Description":"Candicidin is an antibiotic obtained from a streptomyces (Streptomyces griseus) and active against some fungi of the genus Candida (C. albicans). Candicidin is administered intravaginally in the treatment of vulvovaginal candidiasis.","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"Used in the topical treatment of vulvovaginal candidiasis.","Toxicity":"","MechanismOfAction":"Ergosterol, the principal sterol in the fungal cytoplasmic membrane, is the target site of action of Candicidin. Candicidin binds irreversibly to ergosterol, resulting in disruption of membrane integrity and ultimately cell death. There is some evidence that the binding site in the cell wall may be to fatty acids or fatty acid esters and that this binding capacity must be satisfied before candicidin can bring about its lethal effect by binding to sterol in the cell membrane.","Pharmacodynamics":"Candicidin is a polyene antifungal antibiotic produced by a strain of \u003ci\u003eStreptomyces griseus\u003c/i\u003e. It is especially effective against \u003ci\u003eCandida albicans\u003c/i\u003e (more effective than amphotericin B), and is administered intravaginally in the treatment of vulvovaginal candidiasis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB01153","Name":"Sertaconazole","DrugType":"small molecule","HalfLife":"","Description":"Sertaconazole nitrate is an antifungal medication of the imidazole class. It is available as a cream to treat skin infections such as athlete's foot. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"For the topical treatment of interdigital tinea pedis in immunocompetent patients 12 years of age and older, caused by \u003ci\u003eTrichophyton rubrum\u003c/i\u003e, \u003ci\u003eTrichophyton mentagrophytes\u003c/i\u003e, and \u003ci\u003eEpidermophyton floccosum\u003c/i\u003e.","Toxicity":"","MechanismOfAction":"Sertaconazole interacts with 14-\u0026alpha; demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Sertaconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis.","Pharmacodynamics":"Sertaconazole is an imidazole/triazole type antifungal agent. Sertaconazole is a highly selective inhibitor of fungal cytochrome P-450 sterol C-14 \u0026alpha;-demethylation via the inhibition of the enzyme cytochrome P450 14\u0026alpha;-demethylase. This enzyme converts lanosterol to ergosterol, and is required in fungal cell wall synthesis. The subsequent loss of normal sterols correlates with the accumulation of 14 \u0026alpha;-methyl sterols in fungi and may be partly responsible for the fungistatic activity of fluconazole. Mammalian cell demethylation is much less sensitive to fluconazole inhibition. Sertaconazole exhibits \u003ci\u003ein vitro\u003c/i\u003e activity against \u003ci\u003eCryptococcus neoformans\u003c/i\u003e and \u003ci\u003eCandida spp.\u003c/i\u003e Fungistatic activity has also been demonstrated in normal and immunocompromised animal models for systemic and intracranial fungal infections due to \u003ci\u003eCryptococcus neoformans\u003c/i\u003e and for systemic infections due to Candida albicans.","Absorption":"Bioavailability is negligible.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01154","Name":"Thiamylal","DrugType":"small molecule","HalfLife":"Although no studies have been performed on humans, the half-life in cats is 14.3 hours.","Description":"A barbiturate that is administered intravenously for the production of complete anesthesia of short duration, for the induction of general anesthesia, or for inducing a hypnotic state. (From Martindale, The Extra Pharmacopoeia, 30th ed, p919)","Classification":{"Description":"This compound belongs to the thiobarbituric acid derivatives. These are organic compounds containing a 2-thioxodihydropyrimidine-4,6(1H,5H)-dione skeleton.","DirectParent":"Thiobarbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Used for the production of complete anaesthesia of short duration, for the induction of general anaesthesia, and for inducing a hypnotic state.","Toxicity":"Intravenous LD50 in rat is 51 mg/kg.","MechanismOfAction":"Thiamylal binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Thiamylal, a barbiturate, is used in combination with acetaminophen or aspirin and caffeine for its sedative and relaxant effects in the treatment of tension headaches, migraines, and pain. Barbiturates act as nonselective depressants of the central nervous system (CNS), capable of producing all levels of CNS mood alteration from excitation to mild sedation, hypnosis, and deep coma. In sufficiently high therapeutic doses, barbiturates induce anesthesia.","Absorption":"Rapidly absorbed (high lipid solubility).","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01155","Name":"Gemifloxacin","DrugType":"small molecule","HalfLife":"7 (\u0026plusmn; 2) hours","Description":"Gemifloxacin is an oral broad-spectrum quinolone antibacterial agent used in the treatment of acute bacterial exacerbation of chronic bronchitis and mild-to-moderate pneumonia. Gemifloxacin acts by inhibiting DNA synthesis through the inhibition of both DNA gyrase and topoisomerase IV, which are essential for bacterial growth.","Classification":{"Description":"This compound belongs to the naphthyridine carboxylic acids and derivatives. These are compounds containing a naphthyridine moiety, where one of the ring atoms bears a carboxylic acid group.","DirectParent":"Naphthyridine Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Naphthyridine Carboxylic Acids and Derivatives"},"Indication":"For the treatment of bacterial infection caused by susceptible strains such as \u003ci\u003eS. pneumoniae\u003c/i\u003e, \u003ci\u003eH. influenzae\u003c/i\u003e, \u003ci\u003eH. parainfluenzae\u003c/i\u003e, or \u003ci\u003eM. catarrhalis\u003c/i\u003e, \u003ci\u003eS. pneumoniae\u003c/i\u003e (including multi-drug resistant strains [MDRSP]), \u003ci\u003eM. pneumoniae\u003c/i\u003e, \u003ci\u003eC. pneumoniae\u003c/i\u003e, or \u003ci\u003eK. pneumoniae\u003c/i\u003e.","Toxicity":"","MechanismOfAction":"The bactericidal action of gemifloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, and recombination.","Pharmacodynamics":"Gemifloxacin is a quinolone/fluoroquinolone antibiotic. Gemifloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase, which allows the untwisting required to replicate one DNA double helix into two. Notably the drug has 100 times higher affinity for bacterial DNA gyrase than for mammalian. Gemifloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria.","Absorption":"Rapidly absorbed from the gastrointestinal tract. The absolute bioavailability averages approximately 71%.","Interactions":[{"ID":"DB01370"},{"ID":"DB00258"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB01397"},{"ID":"DB00364"},{"ID":"DB01593"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01156","Name":"Bupropion","DrugType":"small molecule","HalfLife":"24 hours","Description":"A unicyclic, aminoketone antidepressant. The mechanism of its therapeutic actions is not well understood, but it does appear to block dopamine uptake. The hydrochloride is available as an aid to smoking cessation treatment. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment of depression and as aid to smoking cessation.","Toxicity":"Symptoms of overdose include seizures, hallucinations, loss of consciousness, tachycardia, and cardiac arrest.","MechanismOfAction":"Bupropion selectively inhibits the neuronal reuptake of dopamine, norepinephrine, and serotonin; actions on dopaminergic systems are more significant than imipramine or amitriptyline whereas the blockade of norepinephrine and serotonin reuptake at the neuronal membrane is weaker for bupropion than for tricyclic antidepressants. The increase in norepinephrine may attenuate nicotine withdrawal symptoms and the increase in dopamine at neuronal sites may reduce nicotine cravings and the urge to smoke. Bupropion exhibits moderate anticholinergic effects.","Pharmacodynamics":"Bupropion, an antidepressant of the aminoketone class and a non-nicotine aid to smoking cessation, is chemically unrelated to tricyclic, tetracyclic, selective serotonin re-uptake inhibitor, or other known antidepressant agents. Compared to classical tricyclic antidepressants, Bupropion is a relatively weak inhibitor of the neuronal uptake of norepinephrine, serotonin, and dopamine. In addition, Bupropion does not inhibit monoamine oxidase. Bupropion produces dose-related central nervous system (CNS) stimulant effects in animals, as evidenced by increased locomotor activity, increased rates of responding in various schedule-controlled operant behavior tasks, and, at high doses, induction of mild stereotyped behavior.","Absorption":"For sustained release, peak plasma concentrations are achieved within 3 hours.","Interactions":[{"ID":"DB00564"},{"ID":"DB00091"},{"ID":"DB01247"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00679"},{"ID":"DB04572"},{"ID":"DB00752"},{"ID":"DB00427"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000199","Name":"Bupropion Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01157","Name":"Trimetrexate","DrugType":"small molecule","HalfLife":"11 to 20 hours","Description":"A nonclassical folic acid inhibitor through its inhibition of the enzyme dihydrofolate reductase. It is being tested for efficacy as an antineoplastic agent and as an antiparasitic agent against pneumocystis pneumonia in AIDS patients. Myelosuppression is its dose-limiting toxic effect. [PubChem]","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For use, with concurrent leucovorin administration (leucovorin protection), as an alternative therapy for the treatment of moderate-to-severe \u003ci\u003ePneumocystis carinii\u003c/i\u003e pneumonia (PCP) in immunocompromised patients, including patients with the acquired immunodeficiency syndrome (AIDS). Also used to treat several types of cancer including colon cancer.","Toxicity":"The LD\u003csub\u003e50\u003c/sub\u003e of intravenous trimetrexate in mice is 62 mg/kg (186 mg/m\u003csup\u003e2\u003c/sup\u003e). Myelosuppression is a dose-limiting toxic effect.","MechanismOfAction":"In vitro studies have shown that trimetrexate is a competitive inhibitor of dihydrofolate reductase (DHFR) from bacterial, protozoan, and mammalian sources. DHFR catalyzes the reduction of intracellular dihydrofolate to the active coenzyme tetrahydrofolate. Inhibition of DHFR results in the depletion of this coenzyme, leading directly to interference with thymidylate biosynthesis, as well as inhibition of folate-dependent formyltransferases, and indirectly to inhibition of p.r.n. biosynthesis. The end result is disruption of DNA, RNA, and protein synthesis, with consequent cell death.","Pharmacodynamics":"Trimetrexate, a non-classical folate antagonist, is a synthetic inhibitor of the enzyme dihydrofolate reductase (DHFR). During DNA synthesis and cellular reproduction, folic acid is reduced to tetrahydrofolic acid by the enzyme folic acid reductase. By interfering with the reduction of folic acid, trimetrexate interferes with tissue cell reproduction. Generally, the most sensitive cells to the antimetabolite effect of trimetrexate are those cells which are most actively proliferating such as malignant cells, dermal epithelium, buccal and intestinal mucosa, bone marrow, fetal cells, and cells of the urinary bladder. Because the proliferation of cells in malignant tissues is greater than in most normal tissues, trimetrexate may impair the growth of the malignant tissues without causing irreversible damage to normal tissues. Due to very serious and potentially life-threatening side-effects of this drug, leucovorin must be co-administered for at least 72 hours after the last dose.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB00390"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01158","Name":"Bretylium","DrugType":"small molecule","HalfLife":"The terminal half-life in four normal volunteers averaged 7.8\u0026plusmn;0.6 hours (range 6.9-8.1). During hemodialysis, this patient's arterial and venous bretylium concentrations declined rapidly, resulting in a half-life of 13 hours.","Description":"Bretylium blocks the release of noradrenaline from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation. The primary mode of action for bretylium is thought to be inhibition of voltage-gated K(+) channels. Recent evidence has shown that bretylium may also inhibit the Na,K-ATPase by binding to the extracellular K-site.","Classification":{"Description":"This compound belongs to the bromobenzenes. These are organic compounds containing a chlorine atom attached to a benzene ring.","DirectParent":"Bromobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For use in the prophylaxis and therapy of ventricular fibrillation. Also used in the treatment of life-threatening ventricular arrhythmias, such as ventricular tachycardia, that have failed to respond to adequate doses of a first-line antiarrhythmic agent, such as lidocaine.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 400 mg/kg. In the presence of life-threatening arrhythmias, underdosing with bretylium probably presents a greater risk to the patient than potential overdosage. However, one case of accidental overdose has been reported in which a rapidly injected intravenous bolus of 30 mg/kg was given instead of an intended 10 mg/kg dose during an episode of ventricular tachycardia. Marked hypertension resulted, followed by protracted refractory hypotension. The patient expired 18 hours later in asystole, complicated by renal failure and aspiration pneumonitis. Bretylium serum levels were 8000 ng/mL.","MechanismOfAction":"Bretylium inhibits norepinephrine release by depressing adrenergic nerve terminal excitability. The mechanisms of the antifibrillatory and antiarrhythmic actions of bretylium are not established. In efforts to define these mechanisms, the following electrophysiologic actions of bretylium have been demonstrated in animal experiments: increase in ventricular fibrillation threshold, increase in action potential duration and effective refractory period without changes in heart rate, little effect on the rate of rise or amplitude of the cardiac action potential (Phase 0) or in resting membrane potential (Phase 4) in normal myocardium, decrease in the disparity in action potential duration between normal and infarcted regions, and increase in impulse formation and spontaneous firing rate of pacemaker tissue as well as increase ventricular conduction velocity.","Pharmacodynamics":"Bretylium is a bromobenzyl quaternary ammonium compound which selectively accumulates in sympathetic ganglia and their postganglionic adrenergic neurons where it inhibits norepinephrine release by depressing adrenergic nerve terminal excitability. Bretylium also suppresses ventricular fibrillation and ventricular arrhythmias.","Absorption":"","Interactions":[{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB00199"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01137"},{"ID":"DB00933"},{"ID":"DB00218"},{"ID":"DB00243"},{"ID":"DB00976"},{"ID":"DB00679"}],"Salts":[{"ID":"DBSALT001050","Name":"Bretylium tosylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01159","Name":"Halothane","DrugType":"small molecule","HalfLife":"","Description":"A nonflammable, halogenated, hydrocarbon anesthetic that provides relatively rapid induction with little or no excitement. Analgesia may not be adequate. nitrous oxide is often given concomitantly. Because halothane may not produce sufficient muscle relaxation, supplemental neuromuscular blocking agents may be required. (From AMA Drug Evaluations Annual, 1994, p178)","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For the induction and maintenance of general anesthesia","Toxicity":"Toxic effects of halothane include malignant hyperthermia and hepatitis.","MechanismOfAction":"Halothane causes general anaethesia due to its actions on multiple ion channels, which ultimately depresses nerve conduction, breathing, cardiac contractility. Its immobilizing effects have been attributed to its binding to potassium channels in cholinergic neurons. Halothane's effect are also likely due to binding to NMDA and calcium channels, causing hyperpolarization.","Pharmacodynamics":"Halothane is a general inhalation anesthetic used for induction and maintenance of general anesthesia. It reduces the blood pressure and frequently decreases the pulse rate and depresses respiration. It induces muscle relaxation and reduces pains sensitivity by altering tissue excitability. It does so by decreasing the extent of gap junction mediated cell-cell coupling and altering the activity of the channels that underlie the action potential.","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00598"},{"ID":"DB01303"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01160","Name":"Dinoprost Tromethamine","DrugType":"small molecule","HalfLife":"The half-life of dinoprost in amniotic fluid is 3 to 6 hours. The plasma half-life of dinoprost after intravenous administration is reported to be less than 1 minute.","Description":"The tromethamine (THAM) salt of the naturally occurring prostaglandin F2 alpha, dinoprost tromethamine occurs as a white to off-white, very hygroscopic, crystalline powder. Dinoprost tromethamine may also be known as dinoprost trometamol, PGF2 alpha THAM, or prostaglandin F2 alpha tromethamine.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used for aborting second-trimester pregnancy (between the twelfth to eighteenth week of gestation) and in incomplete abortion or for therapeutic abortion in cases of intrauterine fetal death and congenital abnormalities incompatible with life. Also used at low-doses for medically indicated induction of labor at term. Also injected intra-arterially for use as a vasodilator to assist in angiography.","Toxicity":"Although overdose by intra-amniotic administration of dinoprost has not been reported, exaggeration of the nausea, vomiting, and diarrhea that occur with normal doses would be expected.","MechanismOfAction":"Dinoprost tromethamine appears to act directly on the myometrium, but this has not been completely established. Dinoprost stimulates myometrial contractions (via its interaction with the prostaglandin receptors) in the gravid uterus that are similar to the contractions that occur in the term uterus during labor. These contractions are usually sufficient to cause abortion. Uterine response to prostaglandins increases gradually throughout pregnancy. Dinoprost also facilitates cervical dilatation and softening.","Pharmacodynamics":"Dinoprost tromethamine is the tromethamine (THAM) salt of the naturally occurring prostaglandin F2\u003csub\u003ealpha\u003c/sub\u003e. Prostaglandin F2\u003csub\u003ealpha\u003c/sub\u003e\u0026nbsp;has several pharmacologic effects on the female reproductive system, including stimulation of myometrial activity, relaxation of the cervix, inhibition of steroidogenesis by corpora lutea, and can potentially lyse corpora lutea.","Absorption":"Slowly absorbed from the amniotic fluid into systemic circulation.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01161","Name":"Chloroprocaine","DrugType":"small molecule","HalfLife":"21 +/- 2 seconds","Description":"Chloroprocaine hydrochloride is a local anesthetic given by injection during surgical procedures and labor and delivery. Chloroprocaine, like other local anesthetics, blocks the generation and the conduction of nerve impulses, presumably by increasing the threshold for electrical excitation in the nerve, by slowing the propagation of the nerve impulse and by reducing the rate of rise of the action potential.","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the production of local anesthesia by infiltration and peripheral nerve block. They are not to be used for lumbar or caudal epidural anesthesia.","Toxicity":"In mice, the intravenous LD\u003csub\u003e50\u003c/sub\u003e of chloroprocaine HCl is 97 mg/kg and the subcutaneous LD\u003csub\u003e50\u003c/sub\u003e of chloroprocaine HCl is 950 mg/kg.","MechanismOfAction":"Chloroprocaine acts mainly by inhibiting sodium influx through voltage gated sodium channels in the neuronal cell membrane of peripheral nerves. When the influx of sodium is interrupted, an action potential cannot arise and signal conduction is thus inhibited. The receptor site is thought to be located at the cytoplasmic (inner) portion of the sodium channel. It is hypothesized that Chloroprocaine binds or antagonizes the function of N-methyl-D-aspartate (NMDA) receptors as well as nicotinic acetylcholine receptors and the serotonin receptor-ion channel complex.","Pharmacodynamics":"Chloroprocaine is an anesthetic agent indicated for production of local or regional anesthesia, particularly for oral surgery. Chloroprocaine (like cocaine) has the advantage of constricting blood vessels which reduces bleeding, unlike other local anesthetics like lidocaine. Chloroprocaine is an ester anesthetic.","Absorption":"The rate of systemic absorption of local anesthetic drugs is dependent upon the total dose and concentration of drug administered, the route of administration, the vascularity of the administration site, and the presence or absence of epinephrine in the anesthetic injection.","Interactions":null,"Salts":[{"ID":"DBSALT000823","Name":"Chloroprocaine hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00394","Drugs":["DB00368","DB00988","DB01161","DB01345","DB01373"]}]},{"ID":"DB01162","Name":"Terazosin","DrugType":"small molecule","HalfLife":"12 hours","Description":"Terazosin is a selective alpha1-antagonist used for treatment of symptoms of benign prostatic hyperplasia (BPH). It also acts to lower blood pressure, so it is a drug of choice for men with hypertension and prostate enlargement. It works by blocking the action of adrenaline on smooth muscle of the bladder and the blood vessel walls.","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For the treatment of symptomatic BPH and mild to moderate hypertension.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=259.3mg/kg (IV in mice)","MechanismOfAction":"In general, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors mediate contraction and hypertrophic growth of smooth muscle cells. \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-Receptors are 7-transmembrane domain receptors coupled to G proteins, G\u003csub\u003eq/11\u003c/sub\u003e. Three \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-receptor subtypes, which share approximately 75% homology in their transmembrane domains, have been identified: \u0026alpha;\u003csub\u003e1A\u003c/sub\u003e (chromosome 8), \u0026alpha;\u003csub\u003e1B\u003c/sub\u003e (chromosome 5), and \u0026alpha;\u003csub\u003e1D\u003c/sub\u003e (chromosome 20). Terazosin is the first \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-receptor antagonist to demonstrate selectivity for the \u0026alpha;\u003csub\u003e1A\u003c/sub\u003e-receptor. All three receptor subtypes appear to be involved in maintaining vascular tone. The \u0026alpha;\u003csub\u003e1A\u003c/sub\u003e-receptor maintains basal vascular tone while the \u0026alpha;\u003csub\u003e1B\u003c/sub\u003e-receptor mediates the vasocontrictory effects of exogenous \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-agonists. Activation of \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-receptors activates G\u003csub\u003eq\u003c/sub\u003e-proteins, which results in intracellular stimulation of phospholipases C, A\u003csub\u003e2\u003c/sub\u003e, and D. This results in mobilization of Ca\u003csup\u003e2+\u003c/sup\u003e from intracellular stores, activation of mitogen-activated kinase and PI\u003csub\u003e3\u003c/sub\u003e kinase pathways and subsequent vasoconstriction. Terozosin produces its pharmacological effects by inhibiting \u0026alpha;\u003csub\u003e1A\u003c/sub\u003e-receptor activation. Inhibition of these receptors in the vasculature and prostate results in muscle relaxation, decreased blood pressure and improved urinary outflow in symptomatic benign prostatic hyperplasia.","Pharmacodynamics":"Terazosin, classified as a quinazoline, is similar to doxazosin and prazosin. As an \u0026alpha;-adrenergic blocking agent, terazosin is used to treat hypertension and BPH. Terazosin produces vasodilation and reduces peripheral resistance but in general has only a slight effect on cardiac output. The antihypertensive effect with chronic dosing is not usually accompanied by reflex tachycardia.","Absorption":"Essentially completely absorbed in man (90% bioavailability).","Interactions":[{"ID":"DB01193"},{"ID":"DB00346"},{"ID":"DB01143"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB04846"},{"ID":"DB00187"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB04861"},{"ID":"DB01580"},{"ID":"DB01359"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB00073"},{"ID":"DB00203"},{"ID":"DB06207"},{"ID":"DB00489"},{"ID":"DB00820"},{"ID":"DB00706"},{"ID":"DB00373"},{"ID":"DB00374"},{"ID":"DB00862"}],"Salts":[{"ID":"DBSALT000326","Name":"Terazosin Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01163","Name":"Amdinocillin","DrugType":"small molecule","HalfLife":"Approximately 1 hour in patients with normal renal function. Increases to 3 to 6 hours in anephric patients.","Description":"Amidinopenicillanic acid derivative with broad spectrum antibacterial action. It is poorly absorbed if given orally and is used in urinary infections and typhus. Amdinocillin is not available in the United States.","Classification":{"Description":"This compound belongs to the penams. These are an organic heterocyclic compound containing the 4-thia-1-azabicyclo[3.2.0]heptan-7-one structure.","DirectParent":"Penams","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used in the treatment of urinary tract infections caused by some strains of E. coli and klebsiella and enterobacter species. Used mainly against Gram negative organisms.","Toxicity":"","MechanismOfAction":"Amdinocillin is a stong and specific antagonist of Penicillin Binding Protein-2 (PBP 2). It is active against gram negative bacteria, preventing cell wall synthesis by inhibiting the activity of PBP2. PBP2 is a peptidoglycan elongation initiating enzyme. Peptidoglycan is a polymer of sugars and amino acids that is the main component of bacterial cell walls. ","Pharmacodynamics":"Amdinocillin is a novel, semisynthetic penicillin effective against many gram-negative bacteria. The antibacterial activity of amdinocillin is derived from its ability to bind specifically and avidly to Penicillin Binding Protein-2 (PBP 2). Amdinocillin is active alone against many gram-negative organisms. Pseudomonas and non-fermenting gram-negative bacteria, however, are usually resistant. Amdinocillin, in combination with many beta-lactams, exhibits marked synergy against many enterobacteriaceae. No such synergy can be demonstrated for gram-positive organisms or pseudomonas species. Amdinocillin is not beta-lactamase stable. Organisms which produce high levels of plasma-mediated beta-lactamase are resistant to the drug. Co-administration of probenecid results in markedly elevated plasma levels of amdinocillin and delays its excretion.","Absorption":"Poorly absorbed if given orally.","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB01164","Name":"Calcium Chloride","DrugType":"small molecule","HalfLife":"","Description":"Calcium chloride is an ionic compound of calcium and chlorine. It is highly soluble in water and it is deliquescent. It is a salt that is solid at room temperature, and it behaves as a typical ionic halide. It has several common applications such as brine for refrigeration plants, ice and dust control on roads, and in cement. It can be produced directly from limestone, but large amounts are also produced as a by-product of the Solvay process. Because of its hygroscopic nature, it must be kept in tightly-sealed containers. [Wikipedia]","Classification":{"Description":"This compound belongs to the alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.","DirectParent":"Alkaline Earth Metal Chlorides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Alkaline Earth Metal Salts","SubClass":"Alkaline Earth Metal Chlorides"},"Indication":"For the treatment of hypocalcemia in those conditions requiring a prompt increase in blood plasma calcium levels, for the treatment of magnesium intoxication due to overdosage of magnesium sulfate, and used to combat the deleterious effects of hyperkalemia as measured by electrocardiographic (ECG), pending correction of the increased potassium level in the extracellular fluid.","Toxicity":"Too rapid injection may produce lowering of blood pressure and cardiac syncope. Persistent hypercalcemia from overdosage of calcium is unlikely because of rapid excretion.","MechanismOfAction":"Calcium chloride in water dissociates to provide calcium (Ca\u003csup\u003e2+\u003c/sup\u003e) and chloride (Cl\u003csup\u003e-\u003c/sup\u003e) ions. They are normal constituents of the body fluids and are dependent on various physiological mechanisms for maintenance of balance between intake and output. For hyperkalemia, the influx of calcium helps restore the normal gradient between threshold potential and resting membrane potential.","Pharmacodynamics":"Calcium is the fifth most abundant element in the body and the major fraction is in the bony structure. Calcium plays important physiological roles, many of which are poorly understood. It is essential for the functional integrity of the nervous and muscular systems. It is necessary for normal cardiac function and is one of the factors that operates in the mechanisms involved in the coagulation of blood.","Absorption":"","Interactions":[{"ID":"DB00630"},{"ID":"DB00258"},{"ID":"DB06724"},{"ID":"DB01212"},{"ID":"DB00720"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB06210"},{"ID":"DB01077"},{"ID":"DB00710"},{"ID":"DB00451"},{"ID":"DB00279"},{"ID":"DB01017"},{"ID":"DB00884"},{"ID":"DB00759"},{"ID":"DB01133"},{"ID":"DB06824"},{"ID":"DB00685"}],"Salts":[{"ID":"DBSALT000772","Name":"Calcium chloride dihydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01165","Name":"Ofloxacin","DrugType":"small molecule","HalfLife":"9 hours","Description":"A synthetic fluoroquinolone (fluoroquinolones) antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. [PubChem]","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of infections (respiratory tract, kidney, skin, soft tissue, UTI), urethral and cervical gonorrhoea.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=5450 mg/kg (orally in mice)","MechanismOfAction":"Ofloxacin acts on DNA gyrase and toposiomerase IV, enzymes which, like human topoisomerase, prevents the excessive supercoiling of DNA during replication or transcription. By inhibiting their function, the drug thereby inhibits normal cell division.","Pharmacodynamics":"Ofloxacin is a quinolone/fluoroquinolone antibiotic. Ofloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase, which allows the untwisting required to replicate one DNA double helix into two. Notably the drug has 100 times higher affinity for bacterial DNA gyrase than for mammalian. Ofloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria.","Absorption":"Bioavailability of ofloxacin in the tablet formulation is approximately 98%","Interactions":[{"ID":"DB01418"},{"ID":"DB01370"},{"ID":"DB01125"},{"ID":"DB01373"},{"ID":"DB00258"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB00529"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB01035"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00364"},{"ID":"DB00382"},{"ID":"DB01623"},{"ID":"DB00697"},{"ID":"DB00682"},{"ID":"DB01593"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01166","Name":"Cilostazol","DrugType":"small molecule","HalfLife":"11-13 hours.","Description":"Cilostazol is a medication used in the alleviation of the symptom of intermittent claudication in individuals with peripheral vascular disease. It is manufactured by Otsuka Pharmaceutical Co. under the trade name Pletal. Although drugs similar to cilostazol have increased the risk of death in patients with congestive heart failure, studies of significant size have not addressed people without the disease. [Wikipedia]","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"For the reduction of symptoms of intermittent claudication (pain in the legs that occurs with walking and disappears with rest).","Toxicity":"Information on acute overdosage with cilostazol in humans is limited. The signs and symptoms of an acute overdose can be anticipated to be those of excessive pharmacologic effect: severe headache, diarrhea, hypotension, tachycardia, and possibly cardiac arrhythmias. The oral LD\u003csub\u003e50\u003c/sub\u003e of cilostazol is \u003e5.0 g/kg in mice and rats and \u003e2.0 g/kg in dogs.","MechanismOfAction":"Cilostazol and several of its metabolites are cyclic AMP (cAMP) phosphodiesterase III inhibitors (PDE III inhibitors), inhibiting phosphodiesterase activity and suppressing cAMP degradation with a resultant increase in cAMP in platelets and blood vessels, leading to inhibition of platelet aggregation and vasodilation.","Pharmacodynamics":"Cilostazol is a quinolinone derivative indicated for the reduction of symptoms of intermittent claudication, as indicated by an increased walking distance. Intermittent claudication is pain in the legs that occurs with walking and disappears with rest. The pain occurs due to reduced blood flow to the legs.","Absorption":"Cilostazol is absorbed after oral administration. A high fat meal increases absorption, with an approximately 90% increase in C\u003csub\u003emax\u003c/sub\u003e and a 25% increase in AUC. Absolute bioavailability is not known.","Interactions":[{"ID":"DB00343"},{"ID":"DB00199"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01381"},{"ID":"DB01167"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB01149"},{"ID":"DB00338"},{"ID":"DB01104"},{"ID":"DB00976"},{"ID":"DB00208"},{"ID":"DB00374"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00263","Drugs":["DB01166","DB01593"]}]},{"ID":"DB01167","Name":"Itraconazole","DrugType":"small molecule","HalfLife":"21 hours","Description":"One of the triazole antifungal agents that inhibits cytochrome P-450-dependent enzymes resulting in impairment of ergosterol synthesis. It has been used against histoplasmosis, blastomycosis, cryptococcal meningitis \u0026 aspergillosis. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"For the treatment of the following fungal infections in immunocompromised and non-immunocompromised patients: pulmonary and extrapulmonary blastomycosis, histoplasmosis, aspergillosis, and onychomycosis.","Toxicity":"No significant lethality was observed when itraconazole was administered orally to mice and rats at dosage levels of 320 mg/kg or to dogs at 200 mg/kg.","MechanismOfAction":"Itraconazole interacts with 14-\u0026alpha; demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Itraconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis.","Pharmacodynamics":"Itraconazole is an imidazole/triazole type antifungal agent. Itraconazole is a highly selective inhibitor of fungal cytochrome P-450 sterol C-14 \u0026alpha;-demethylation via the inhibition of the enzyme cytochrome P450 14\u0026alpha;-demethylase. This enzyme converts lanosterol to ergosterol, and is required in fungal cell wall synthesis. The subsequent loss of normal sterols correlates with the accumulation of 14 \u0026alpha;-methyl sterols in fungi and may be partly responsible for the fungistatic activity of fluconazole. Mammalian cell demethylation is much less sensitive to fluconazole inhibition. Itraconazole exhibits \u003ci\u003ein vitro\u003c/i\u003e activity against \u003ci\u003eCryptococcus neoformans\u003c/i\u003e and \u003ci\u003eCandida spp.\u003c/i\u003e Fungistatic activity has also been demonstrated in normal and immunocompromised animal models for systemic and intracranial fungal infections due to \u003ci\u003eCryptococcus neoformans\u003c/i\u003e and for systemic infections due to \u003ci\u003eCandida albicans\u003c/i\u003e.","Absorption":"The absolute oral bioavailability of itraconazole is 55%, and is maximal when taken with a full meal.","Interactions":[{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB00802"},{"ID":"DB00346"},{"ID":"DB09026"},{"ID":"DB00918"},{"ID":"DB00404"},{"ID":"DB01370"},{"ID":"DB01125"},{"ID":"DB06605"},{"ID":"DB00673"},{"ID":"DB01238"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB00559"},{"ID":"DB01558"},{"ID":"DB01222"},{"ID":"DB01008"},{"ID":"DB06772"},{"ID":"DB01373"},{"ID":"DB06724"},{"ID":"DB00564"},{"ID":"DB04846"},{"ID":"DB00439"},{"ID":"DB00475"},{"ID":"DB01410"},{"ID":"DB01166"},{"ID":"DB00501"},{"ID":"DB01012"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB00496"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB00204"},{"ID":"DB04855"},{"ID":"DB00216"},{"ID":"DB00700"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB00199"},{"ID":"DB00736"},{"ID":"DB01215"},{"ID":"DB00754"},{"ID":"DB01590"},{"ID":"DB00927"},{"ID":"DB01023"},{"ID":"DB00813"},{"ID":"DB00690"},{"ID":"DB01320"},{"ID":"DB00317"},{"ID":"DB00801"},{"ID":"DB00502"},{"ID":"DB00619"},{"ID":"DB08820"},{"ID":"DB01321"},{"ID":"DB00448"},{"ID":"DB01227"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB01377"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00959"},{"ID":"DB00683"},{"ID":"DB00585"},{"ID":"DB00338"},{"ID":"DB00213"},{"ID":"DB06589"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB08901"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01589"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01129"},{"ID":"DB00863"},{"ID":"DB00243"},{"ID":"DB08896"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00734"},{"ID":"DB00503"},{"ID":"DB06228"},{"ID":"DB08877"},{"ID":"DB00203"},{"ID":"DB06207"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB01591"},{"ID":"DB00364"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB01030"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB08867"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00682"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01168","Name":"Procarbazine","DrugType":"small molecule","HalfLife":"10 minutes","Description":"An antineoplastic agent used primarily in combination with mechlorethamine, vincristine, and prednisone (the MOPP protocol) in the treatment of Hodgkin's disease. [PubChem]","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"For use with other anticancer drugs for the treatment of stage III and stage IV Hodgkin's disease.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=785 mg/kg (orally in rats)","MechanismOfAction":"The precise mode of cytotoxic action of procarbazine has not been clearly defined. There is evidence that the drug may act by inhibition of protein, RNA and DNA synthesis. Studies have suggested that procarbazine may inhibit transmethylation of methyl groups of methionine into t-RNA. The absence of functional t-RNA could cause the cessation of protein synthesis and consequently DNA and RNA synthesis. In addition, procarbazine may directly damage DNA. Hydrogen peroxide, formed during the auto-oxidation of the drug, may attack protein sulfhydryl groups contained in residual protein which is tightly bound to DNA.","Pharmacodynamics":"Procarbazine is an antineoplastic in the class of alkylating agents and is used to treat various forms of cancer. Alkylating agents are so named because of their ability to add alkyl groups to many electronegative groups under conditions present in cells. They stop tumor growth by cross-linking guanine bases in DNA double-helix strands - directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. In addition, these drugs add methyl or other alkyl groups onto molecules where they do not belong which in turn inhibits their correct utilization by base pairing and causes a miscoding of DNA. Procarbazine is cell-phase specific for the S phase of cell division.","Absorption":"Procarbazine is rapidly and completely absorbed.","Interactions":[{"ID":"DB01393"},{"ID":"DB00484"},{"ID":"DB00921"},{"ID":"DB06700"},{"ID":"DB00390"},{"ID":"DB00563"},{"ID":"DB04896"},{"ID":"DB04844"},{"ID":"DB00323"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00072"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000731","Name":"Procarbazine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01169","Name":"Arsenic trioxide","DrugType":"small molecule","HalfLife":"","Description":"Arsenic trioxide is a chemotheraputic agent of idiopathic function used to treat leukemia that is unresponsive to first line agents. It is suspected that arsenic trisulfide induces cancer cells to undergo apoptosis. Due to the toxic nature of arsenic, this drug carries significant health risks. The enzyme thioredoxin reductase has recently been identified as a target for arsenic trioxide.","Classification":{"Description":"This compound belongs to the metalloid oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a metalloid.","DirectParent":"Metalloid Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Metalloid Organides","SubClass":"Metalloid Oxides"},"Indication":"For induction of remission and consolidation in patients with acute promyelocytic leukemia (APL), and whose APL is characterized by the presence of the t(15;17) translocation or PML/RAR-alpha gene expression","Toxicity":"Symptoms of overdose include convulsions, muscle weakness and confusion.","MechanismOfAction":"The mechanism of action of Arsenic Trioxide is not completely understood. Arsenic trioxide causes morphological changes and DNA fragmentation characteristic of apoptosis in NB4 human promyelocytic leukemia cells \u003ci\u003ein vitro\u003c/i\u003e. Arsenic trioxide also causes damage or degradation of the fusion protein PML/RAR-alpha. It is suspected that arsenic trioxide induces cancer cells to undergo apoptosis.","Pharmacodynamics":"Arsenic Trioxide is indicated for induction of remission and consolidation in patients with acute promyelocytic leukemia (APL) who are refractory to, or have relapsed from, retinoid and anthracycline chemotherapy.","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB06708"},{"ID":"DB01369"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01170","Name":"Guanethidine","DrugType":"small molecule","HalfLife":"1.5 days","Description":"An antihypertensive agent that acts by inhibiting selectively transmission in post-ganglionic adrenergic nerves. It is believed to act mainly by preventing the release of norepinephrine at nerve endings and causes depletion of norepinephrine in peripheral sympathetic nerve terminals as well as in tissues. [PubChem]","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"For the treatment of moderate and severe hypertension, either alone or as an adjunct, and for the treatment of renal hypertension.","Toxicity":"Side effects include drowsiness, dizziness, tiredness or confusion. LD\u003csub\u003e50\u003c/sub\u003e=1000 mg/kg (mouse, oral)","MechanismOfAction":"Guanethidine acts at the sympathetic neuroeffector junction by inhibiting or interfering with the release and/or distribution of norepinephrine, rather than acting at the effector cell by inhibiting the association of norepinephrine with its receptors. It is taken up by norepinephrine transporters. It becomes concentrated in NE transmitter vesicles, replacing NE in these vesicles. This leads to a gradual depletion of NE stores in the nerve endings. Once inside the terminal it blocks the release of noradrenaline in response to arrival of an action potential. In contrast to ganglionic blocking agents, Guanethidine suppresses equally the responses mediated by alpha-and beta-adrenergic receptors but does not produce parasympathetic blockade. Since sympathetic blockade results in modest decreases in peripheral resistance and cardiac output, Guanethidine lowers blood pressure in the supine position. It further reduces blood pressure by decreasing the degree of vasoconstriction that normally results from reflex sympathetic nervous activity upon assumption of the upright posture, thus reducing venous return and cardiac output more.","Pharmacodynamics":"High blood pressure can cause the heart and arteries to not function properly. This can damage the blood vessels of the brain, heart, and kidneys, resulting in a stroke, heart failure, or kidney failure. High blood pressure may also increase the risk of heart attacks. These problems may be less likely to occur if blood pressure is controlled. Guanethidine works by decreasing the heart rate and relaxing the blood vessels so that blood can flow more easily through the body, thereby reducing these risks. It is a postganglionic sympathetic nerve terminal blocker that prevents the release of norepinephrine from nerve terminals.","Absorption":"3-30% of oral dose (poor and highly variable)","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00182"},{"ID":"DB00865"},{"ID":"DB00477"},{"ID":"DB01239"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00841"},{"ID":"DB00988"},{"ID":"DB01142"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB00392"},{"ID":"DB00574"},{"ID":"DB00623"},{"ID":"DB00502"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00579"},{"ID":"DB00933"},{"ID":"DB00610"},{"ID":"DB01577"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00723"},{"ID":"DB00422"},{"ID":"DB00368"},{"ID":"DB00540"},{"ID":"DB01626"},{"ID":"DB00850"},{"ID":"DB01579"},{"ID":"DB00780"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB00777"},{"ID":"DB00344"},{"ID":"DB00852"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT001071","Name":"Guanethidine monosulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01171","Name":"Moclobemide","DrugType":"small molecule","HalfLife":"1-2 hours (4 hours in cirrhotic patients); metabolites are renally excreted","Description":"A reversible monoamine oxidase inhibitor (MAOI) selective for isoform A (RIMA) used to treat major depressive disorder.","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"For the treatment of depression.","Toxicity":"LD50 (mouse) is 730mg/kg and LD50 (rat) is 1,300mg/kg. Signs of toxicity include hypertension, drowsiness, dizziness, confusion, tremors, headache, agitation, muscle rigidity and seizures. ","MechanismOfAction":"The mechanism of action of moclobemide involves the selective, reversible inhibition of MAO-A. This inhibition leads to a decrease in the metabolism and destruction of monoamines in the neurotransmitters. This results in an increase in the monoamines, relieving depressive symptoms.","Pharmacodynamics":"Moclobemide belongs to a class of MAOI antidepressants known as reversible inhibitors of monoamine oxidase type-A (RIMAs). The primary role of monoamine oxidase MAO lies in the metabolism of and regulation of the levels of monoamines (serotonin, norepinephrine, and dopamine). Within neurons, MAO appears to regulate the levels of monoamines released upon synaptic firing. Since depression is associated with low levels of monoamines, the inhibition of MAO serves to ease depressive symptoms. RIMAs demonstrate transient inhibition of the substrate binding site of MAO-A as well as competitive displacement from this site by bioamines. The RIMAs are distinguished from the older monoamine oxidase inhibitors (MAOIs) by their selectivity and reversibility.","Absorption":"Well absorbed from the gastrointestinal tract (\u003e 95%). The presence of food reduces the rate but not the extent of absorption. Hepatic first pass metabolism reduces bioavailability to 45-70% following administration of a single dose, but increases to 80% with multiple dosing as a result of saturation of the first pass effect. Peak plasma concentrations are reached within 1 - 2 hours following oral administration.","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01393"},{"ID":"DB00484"},{"ID":"DB00921"},{"ID":"DB00501"},{"ID":"DB00215"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB00514"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB01142"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00458"},{"ID":"DB01064"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB04896"},{"ID":"DB00368"},{"ID":"DB00540"},{"ID":"DB00816"},{"ID":"DB00715"},{"ID":"DB00454"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00344"},{"ID":"DB00852"},{"ID":"DB00989"},{"ID":"DB00953"},{"ID":"DB01001"},{"ID":"DB01037"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB00382"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB04844"},{"ID":"DB00208"},{"ID":"DB00323"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB01831"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01172","Name":"Kanamycin","DrugType":"small molecule","HalfLife":"2.5 hours","Description":"Kanamycin (also known as kanamycin A) is an aminoglycoside bacteriocidal antibiotic, available in oral, intravenous, and intramuscular forms, and used to treat a wide variety of infections. Kanamycin is isolated from the bacterium Streptomyces kanamyceticus and its most commonly used form is kanamycin sulfate.","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For treatment of infections where one or more of the following are the known or suspected pathogens: \u003ci\u003eE. coli\u003c/i\u003e, \u003ci\u003eProteus\u003c/i\u003e species (both indole-positive and indole-negative), \u003ci\u003eE. aerogenes, K. pneumoniae, S. marcescens,\u003c/i\u003e and \u003ci\u003eAcinetobacter\u003c/i\u003e species.","Toxicity":"Mild and reversible nephrotoxicity may be observed in 5 - 25% of patients. Amikacin accumulates in proximal renal tubular cells. Tubular cell regeneration occurs despite continued drug exposure. Toxicity usually occurs several days following initiation of therapy. May cause irreversible ototoxicity. Otoxocity appears to be correlated to cumulative lifetime exposure. Drug accumulation in the endolymph and perilymph of the inner ear causes irreversible damage to hair cells of the cochlea or summit of ampullar cristae in the vestibular complex. High frequency hearing is lost first with progression leading to loss of low frequency hearing. Further toxicity may lead to retrograde degeneration of the 8th cranial (vestibulocochlear) nerve. Vestibular toxicity may cause vertigo, nausea, vomiting, dizziness and loss of balance.\r\nOral LD50 is 17500 mg/kg in mice, over 4 g/kg in rats, and over 3 g/kg in rabbits.","MechanismOfAction":"Aminoglycosides like kanamycin \"irreversibly\" bind to specific 30S-subunit proteins and 16S rRNA. Specifically Kanamycin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to interference with the initiation complex, misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes.","Pharmacodynamics":"Kanamycin is an aminoglycoside antibiotic. Aminoglycosides work by binding to the bacterial 30S ribosomal subunit, causing misreading of t-RNA, leaving the bacterium unable to synthesize proteins vital to its growth. Aminoglycosides are useful primarily in infections involving aerobic, Gram-negative bacteria, such as Pseudomonas, Acinetobacter, and Enterobacter. In addition, some mycobacteria, including the bacteria that cause tuberculosis, are susceptible to aminoglycosides. Infections caused by Gram-positive bacteria can also be treated with aminoglycosides, but other types of antibiotics are more potent and less damaging to the host. In the past the aminoglycosides have been used in conjunction with penicillin-related antibiotics in streptococcal infections for their synergistic effects, particularly in endocarditis. Aminoglycosides are mostly ineffective against anaerobic bacteria, fungi and viruses.","Absorption":"Kanamycin is rapidly absorbed after intramuscular injection and peak serum levels are generally reached within approximately one hour. Poor oral and topical absorption except with severe skin damage. ","Interactions":[{"ID":"DB00887"},{"ID":"DB00493"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB00438"},{"ID":"DB01212"},{"ID":"DB01111"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB01607"}],"Salts":[{"ID":"DBSALT000401","Name":"Kanamycin sulfate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00255","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01172","DB01972","DB02431","DB03685"]}]},{"ID":"DB01173","Name":"Orphenadrine","DrugType":"small molecule","HalfLife":"13-20 hours","Description":"A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Indicated for the treatment of Parkinson's disease.","Toxicity":"Oral, mouse LD\u003csub\u003e50\u003c/sub\u003e = 100 mg/kg; oral, rat LD\u003csub\u003e50\u003c/sub\u003e = 255 mg/kg","MechanismOfAction":"Orphenadrine binds and inhibits both histamine H1 receptors and NMDA receptors. It restores the motor disturbances induced by neuroleptics, in particular the hyperkinesia. The dopamine deficiency in the striatum increases the stimulating effects of the cholinergic system. This stimulation is counteracted by the anticholinergic effect of orphenadrine. It may have a relaxing effect on skeletal muscle spasms and it has a mood elevating effect.","Pharmacodynamics":"Orphenadrine is indicated as an adjunct to rest, physical therapy, and other measures for the relief of discomfort associated with acute painful musculoskeletal conditions. Orphenadrine is an anticholinergic with a predominantly central effect and only a weak peripheral effect. In addition, it has mild antihistaminic and local anaesthetic properties. Parkinson's syndrome is the consequence of a disturbed balance between cholinergic and dopaminergic neurotransmission in the basal ganglia caused by a decrease in dopamine. Orphenadrine restores the physiological equilibrium and has a favourable effect on the rigidity and tremor of Parkinson's disease and Parkinsonian syndromes. The effect is somewhat less on bradykinesia.","Absorption":"Orphenadrine is almost completely absorbed in the gastrointestinal tract.","Interactions":[{"ID":"DB01248"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000400","Name":"Orphenadrine citrate"},{"ID":"DBSALT001021","Name":"Orphenadrine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01174","Name":"Phenobarbital","DrugType":"small molecule","HalfLife":"53 to 118 hours (mean 79 hours)","Description":"A barbituric acid derivative that acts as a nonselective central nervous system depressant. It promotes binding to inhibitory gamma-aminobutyric acid subtype receptors, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations. [PubChem]","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the treatment of all types of seizures except absence seizures.","Toxicity":"CNS and respiratory depression which may progress to Cheyne-Stokes respiration, areflexia, constriction of the pupils to a slight degree (though in severe poisoning they may wshow paralytic dilation), oliguria, tachycardia, hypotension, lowered body temperature, and coma. Typical shock syndrome (apnea, circulatory collapse, respiratory arrest, and death) may occur.","MechanismOfAction":"Phenobarbital acts on GABAA receptors, increasing synaptic inhibition. This has the effect of elevating seizure threshold and reducing the spread of seizure activity from a seizure focus. Phenobarbital may also inhibit calcium channels, resulting in a decrease in excitatory transmitter release. The sedative-hypnotic effects of phenobarbital are likely the result of its effect on the polysynaptic midbrain reticular formation, which controls CNS arousal.","Pharmacodynamics":"Phenobarbital, the longest-acting barbiturate, is used for its anticonvulsant and sedative-hypnotic properties in the management of all seizure disorders except absence (petit mal).","Absorption":"Absorbed in varying degrees following oral, rectal or parenteral administration. The salts are more rapidly absorbed than are the acids. The rate of absorption is increased if the sodium salt is ingested as a dilute solution or taken on an empty stomach.","Interactions":[{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB01223"},{"ID":"DB01125"},{"ID":"DB06216"},{"ID":"DB06769"},{"ID":"DB00443"},{"ID":"DB08873"},{"ID":"DB06772"},{"ID":"DB08907"},{"ID":"DB00269"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB01380"},{"ID":"DB00091"},{"ID":"DB08912"},{"ID":"DB01254"},{"ID":"DB00705"},{"ID":"DB01234"},{"ID":"DB00266"},{"ID":"DB00255"},{"ID":"DB00280"},{"ID":"DB00254"},{"ID":"DB00651"},{"ID":"DB00783"},{"ID":"DB08866"},{"ID":"DB04573"},{"ID":"DB00655"},{"ID":"DB04574"},{"ID":"DB00977"},{"ID":"DB06414"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00619"},{"ID":"DB01167"},{"ID":"DB08820"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB01028"},{"ID":"DB00959"},{"ID":"DB00264"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB01384"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00571"},{"ID":"DB04575"},{"ID":"DB00908"},{"ID":"DB08896"},{"ID":"DB08864"},{"ID":"DB01656"},{"ID":"DB06201"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00277"},{"ID":"DB00208"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00620"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB08867"},{"ID":"DB05294"},{"ID":"DB08881"},{"ID":"DB00661"},{"ID":"DB01080"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01175","Name":"Escitalopram","DrugType":"small molecule","HalfLife":"27-32 hours","Description":"Escitalopram, the \u003ci\u003eS\u003c/i\u003e-enantiomer of citalopram, belongs to a class of antidepressant agents known as selective serotonin-reuptake inhibitors (SSRIs). Despite distinct structural differences between compounds in this class, SSRIs possess similar pharmacological activity. As with other antidepressant agents, several weeks of therapy may be required before a clinical effect is seen. SSRIs are potent inhibitors of neuronal serotonin reuptake. They have little to no effect on norepinephrine or dopamine reuptake and do not antagonize \u0026alpha;- or \u0026beta;-adrenergic, dopamine D\u003csub\u003e2\u003c/sub\u003e or histamine H\u003csub\u003e1\u003c/sub\u003e receptors. During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. Chronic use leads to desensitization of somatodendritic 5-HT\u003csub\u003e1A\u003c/sub\u003e and terminal autoreceptors. The overall clinical effect of increased mood and decreased anxiety is thought to be due to adaptive changes in neuronal function that leads to enhanced serotonergic neurotransmission. Side effects include dry mouth, nausea, dizziness, drowsiness, sexual dysfunction and headache. Side effects generally occur within the first two weeks of therapy and are usually less severe and frequent than those observed with tricyclic antidepressants. Escitalopram may be used to treat major depressive disorder (MDD) and generalized anxiety disorder (GAD). ","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"Labeled indications include major depressive disorder (MDD) and generalized anxiety disorder (GAD). Unlabeled indications include treatment of mild dementia-associated agitation in nonpsychotic patients. ","Toxicity":"Signs of overdose include convulsions, coma, dizziness, hypotension, insomnia, nausea, vomiting, sinus tachycardia, somnolence, and ECG changes (including QT prolongation). ","MechanismOfAction":"The antidepressant, antiobsessive-compulsive, and antibulimic actions of escitalopram are presumed to be linked to its inhibition of CNS neuronal uptake of serotonin. Escitalopram blocks the reuptake of serotonin at the serotonin reuptake pump of the neuronal membrane, enhancing the actions of serotonin on 5HT\u003csub\u003e1A\u003c/sub\u003e autoreceptors. SSRIs bind with significantly less affinity to histamine, acetylcholine, and norepinephrine receptors than tricyclic antidepressant drugs.","Pharmacodynamics":"Escitalopram is one of a class of antidepressants known as selective serotonin reuptake inhibitors (SSRIs). It is used to treat the depression associated with mood disorders. It is also used on occassion in the treatment of body dysmorphic disorder and anxiety. The antidepressant, antiobsessive-compulsive, and antibulimic actions of escitalopram are presumed to be linked to its inhibition of CNS neuronal uptake of serotonin. \u003ci\u003eIn vitro\u003c/i\u003e studies show that escitalopram is a potent and selective inhibitor of neuronal serotonin reuptake and has only very weak effects on norepinephrine and dopamine neuronal reuptake. Escitalopram has no significant affinity for adrenergic (alpha1, alpha2, beta), cholinergic, GABA, dopaminergic, histaminergic, serotonergic (5HT\u003csub\u003e1A\u003c/sub\u003e, 5HT\u003csub\u003e1B\u003c/sub\u003e, 5HT\u003csub\u003e2\u003c/sub\u003e), or benzodiazepine receptors; antagonism of such receptors has been hypothesized to be associated with various anticholinergic, sedative, and cardiovascular effects for other psychotropic drugs. The chronic administration of escitalopram was found to downregulate brain norepinephrine receptors, as has been observed with other drugs effective in the treatment of major depressive disorder. Escitalopram does not inhibit monoamine oxidase.","Absorption":"The absolute bioavailability of citalopram is about 80% relative to an intravenous dose.","Interactions":[{"ID":"DB00918"},{"ID":"DB06697"},{"ID":"DB01136"},{"ID":"DB06700"},{"ID":"DB00216"},{"ID":"DB00998"},{"ID":"DB01381"},{"ID":"DB01247"},{"ID":"DB01009"},{"ID":"DB00601"},{"ID":"DB06708"},{"ID":"DB00264"},{"ID":"DB00952"},{"ID":"DB00497"},{"ID":"DB00780"},{"ID":"DB01100"},{"ID":"DB00571"},{"ID":"DB01367"},{"ID":"DB00953"},{"ID":"DB01037"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB01600"},{"ID":"DB00208"},{"ID":"DB00500"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00374"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01176","Name":"Cyclizine","DrugType":"small molecule","HalfLife":"20 hours","Description":"A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935)","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For prevention and treatment of nausea, vomiting, and dizziness associated with motion sickness, and vertigo (dizziness caused by other medical problems).","Toxicity":"","MechanismOfAction":"Vomiting (emesis) is essentially a protective mechanism for removing irritant or otherwise harmful substances from the upper GI tract. Emesis or vomiting is controlled by the vomiting centre in the medulla region of the brain, an important part of which is the chemotrigger zone (CTZ). The vomiting centre possesses neurons which are rich in muscarinic cholinergic and histamine containing synapses. These types of neurons are especially involved in transmission from the vestibular apparatus to the vomiting centre. Motion sickness principally involves overstimulation of these pathways due to various sensory stimuli. Hence the action of cyclizine which acts to block the histamine receptors in the vomiting centre and thus reduce activity along these pathways. Furthermore since cyclizine possesses anti-cholinergic properties as well, the muscarinic receptors are similarly blocked.","Pharmacodynamics":"Cyclizine is a piperazine-derivative antihistamine used as an antivertigo/antiemetic agent. Cyclizine is used in the prevention and treatment of nausea, vomiting, and dizziness associated with motion sickness. Additionally, it has been used in the management of vertigo in diseases affecting the vestibular apparatus. Although the mechanism by which cyclizine exerts its antiemetic and antivertigo effects has not been fully elucidated, its central anticholinergic properties are partially responsible. The drug depresses labyrinth excitability and vestibular stimulation, and it may affect the medullary chemoreceptor trigger zone. It also possesses anticholinergic, antihistaminic, central nervous system depressant, and local anesthetic effects.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000399","Name":"Cyclizine Chloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01177","Name":"Idarubicin","DrugType":"small molecule","HalfLife":"22 hours","Description":"An orally administered anthracycline antineoplastic. The compound has shown activity against breast cancer, lymphomas and leukemias, together with the potential for reduced cardiac toxicity. [PubChem]","Classification":{"Description":"This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.","DirectParent":"Anthracyclines","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Anthracyclines","SubClass":""},"Indication":"For the treatment of acute myeloid leukemia (AML) in adults. This includes French-American-British (FAB) classifications M1 through M7.","Toxicity":"","MechanismOfAction":"Idarubicin has antimitotic and cytotoxic activity through a number of proposed mechanisms of action: Idarubicin forms complexes with DNA by intercalation between base pairs, and it inhibits topoisomerase II activity by stabilizing the DNA-topoisomerase II complex, preventing the religation portion of the ligation-religation reaction that topoisomerase II catalyzes.","Pharmacodynamics":"Idarubicin is an antineoplastic in the anthracycline class. General properties of drugs in this class include: interaction with DNA in a variety of different ways including intercalation (squeezing between the base pairs), DNA strand breakage and inhibition with the enzyme topoisomerase II. Most of these compounds have been isolated from natural sources and antibiotics. However, they lack the specificity of the antimicrobial antibiotics and thus produce significant toxicity. The anthracyclines are among the most important antitumor drugs available. Doxorubicin is widely used for the treatment of several solid tumors while daunorubicin and idarubicin are used exclusively for the treatment of leukemia. Idarubicin may also inhibit polymerase activity, affect regulation of gene expression, and produce free radical damage to DNA. Idarubicin possesses an antitumor effect against a wide spectrum of tumors, either grafted or spontaneous. The anthracyclines are cell cycle-nonspecific.","Absorption":"","Interactions":[{"ID":"DB00072"}],"Salts":[{"ID":"DBSALT000341","Name":"Idarubicin Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01178","Name":"Chlormezanone","DrugType":"small molecule","HalfLife":"","Description":"A non-benzodiazepine that is used in the management of anxiety. It has been suggested for use in the treatment of muscle spasm. [PubChem]","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"Used in the management of anxiety and in the treatment of muscle spasm.","Toxicity":"Symptoms of overdose include drowsiness, weakness, nausea, dizziness, abdominal pain, cerebral oedema and renal tubular necrosis, hyperglycaemia and hypoglycaemia, liver damage, encephalopathy, coma and death.","MechanismOfAction":"Chlormezanone binds to central benzodiazepine receptors which interact allosterically with GABA receptors. This potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways.","Pharmacodynamics":"Chlormezanone is a non-benzodiazepine muscle relaxant. It was discontinued worldwide in 1996 by its manufacturer due to confirmed serious and rare cutaneous reactions (toxic epidermal necrolysis).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB01179","Name":"Podofilox","DrugType":"small molecule","HalfLife":"1.0 to 4.5 hours.","Description":"A lignan (lignans) found in podophyllin resin from the roots of podophyllum plants. It is a potent spindle poison, toxic if taken internally, and has been used as a cathartic. It is very irritating to skin and mucous membranes, has keratolytic actions, has been used to treat warts and keratoses, and may have antineoplastic properties, as do some of its congeners and derivatives. [PubChem]","Classification":{"Description":"This compound belongs to the podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one).","DirectParent":"Podophyllotoxins","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"Lignan Lactones","SubClass":"Podophyllotoxins"},"Indication":"For treatment of external genital warts (\u003ci\u003eCondyloma acuminatum\u003c/i\u003e).","Toxicity":"","MechanismOfAction":"The exact mechanism of action is not well understood. It does appear, however, that it and its derivatives may bind and inhibit topoisomerase II during the late S and early G2 stage. The drug may bind and stabilize the temporary break caused by the enzyme. This disrupts the reparation of the break through which the double-stranded DNA passes, and consequently stops DNA unwinding and replication","Pharmacodynamics":"Podofilox, also called podophyllotoxin, is a purer and more stable form of podophyllin in which only the biologically active portion of the compound is present. Podofilox is used to remove certain types of warts on the outside skin of the genital areas.","Absorption":"Topical application of 0.05 mL of 0.5% podofilox solution to external genitalia did not result in detectable serum levels. Applications of 0.1 to 1.5 mL resulted in peak serum levels of 1 to 17 ng/mL one to two hours after application.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01180","Name":"Rescinnamine","DrugType":"small molecule","HalfLife":"","Description":"Rescinnamine is an angiotensin-converting enzyme inhibitor used as an antihypertensive drug. It is an alkaloid obtained from \u003ci\u003eRauwolfia serpentina\u003c/i\u003e and other species of \u003ci\u003eRauwolfia\u003c/i\u003e. [Wikipedia]","Classification":{"Description":"This compound belongs to the yohimbine alkaloids. These are compounds containing the pentacyclic yohimban skeleton.","DirectParent":"Yohimbine Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Yohimbine Alkaloids","SubClass":""},"Indication":"For the treatment of hypertension.","Toxicity":"","MechanismOfAction":"Rescinnamine Binds to and inhibits the angiotensin converting enzyme. Rescinnamine competes with angiotensin I for binding at the angiotensin-converting enzyme, blocking the conversion of angiotensin I to angiotensin II. Inhibition of ACE results in decreased plasma angiotensin II. As angiotensin II is a vasoconstrictor and a negative-feedback mediator for renin activity, lower concentrations result in a decrease in blood pressure and stimulation of baroreceptor reflex mechanisms, which leads to decreased vasopressor activity and to decreased aldosterone secretion.","Pharmacodynamics":"Used to treat hypertension. Rescinnamine inhibits angiotensin-converting enzyme. ACE is a peptidyl dipeptidase that catalyzes the conversion of angiotensin I to the vasoconstrictor substance, angiotensin II. Angiotensin II also stimulates aldosterone secretion by the adrenal cortex and general vasoconstriction, both of which lead to increases vascular resistance. By inhibiting angiotensin II, aldosterone reabsorption is decreased as well as vasoconstriction. This combined effect serves to decrease blood pressure.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00155","Drugs":["DB01180","DB01593"]}]},{"ID":"DB01181","Name":"Ifosfamide","DrugType":"small molecule","HalfLife":"7-15 hours. The elimination half-life increase appeared to be related to the increase in ifosfamide volume of distribution with age.","Description":"Ifosfamide is a chemotherapeutic agent chemically related to the nitrogen mustards and a synthetic analog of cyclophosphamide. It is active as an alkylating agent and an immunosuppresive agent. ","Classification":{"Description":"This compound belongs to the isofamides. These are oxazaphospholanes containing the isofamide skeleton. isofamide is an heterocyclic compound made up of a 1,3,2-oxazaphospholane, where the phosphorus atom is part of a phosphodiamide group, and the oxazaphospholane is substituted by two haloalkyl chains.","DirectParent":"Isofamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazaphosphinanes","SubClass":"Isofamides"},"Indication":"Used as a component of various chemotherapeutic regimens as third-line therapy for recurrent or refractory germ cell testicular cancer. Also used as a component of various chemotherapeutic regimens for the treatment of cervical cancer, as well as in conjunction with surgery and/or radiation therapy in the treatment of various soft tissue sarcomas. Other indications include treatment of osteosarcoma, bladder cancer, ovarian cancer. small cell lung cancer, and non-Hodgkin's lymphoma.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e (mouse) = 390-1005 mg/kg, LD\u003csub\u003e50\u003c/sub\u003e (rat) = 150-190 mg/kg. Side effects include nausea, vomiting and myelosuppression. Toxic effects include central nervous system toxicity (confusion, hallucinations) and urotoxic effects (cystitis, blood in urine).","MechanismOfAction":"The exact mechanism of ifosfamide has not been determined, but appears to be similar to other alkylating agents. Ifosfamide requires biotransformation in the liver by mixed-function oxidases (cytochrome P450 system) before it becomes active. After metabolic activation, active metabolites of ifosfamide alkylate or bind with many intracellular molecular structures, including nucleic acids. The cytotoxic action is primarily through the alkylation of DNA, done by attaching the N-7 position of guanine to its reactive electrophilic groups. The formation of inter and intra strand cross-links in the DNA results in cell death.","Pharmacodynamics":"Ifosfamide requires activation by microsomal liver enzymes to active metabolites in order to exert its cytotoxic effects. Activation occurs by hydroxylation at the ring carbon atom 4 to form the unstable intermediate 4-hydroxyifosfamide. This metabolite than rapidly degrades to the stable urinary metabolite 4-ketoifosfamide. The stable urinary metabolite, 4-carboxyifosfamide, is formed upon opening of the ring. These urinary metabolites have not been found to be cytotoxic. N, N-bis (2-chloroethyl)-phosphoric acid diamide (ifosphoramide) and acrolein are also found. The major urinary metabolites, dechloroethyl ifosfamide and dechloroethyl cyclophosphamide, are formed upon enzymatic oxidation of the chloroethyl side chains and subsequent dealkylation. It is the alkylated metabolites of ifosfamide that have been shown to interact with DNA. Ifosfamide is cycle-phase nonspecific.","Absorption":"","Interactions":[{"ID":"DB00673"},{"ID":"DB06769"},{"ID":"DB06414"},{"ID":"DB06589"},{"ID":"DB00976"},{"ID":"DB00208"},{"ID":"DB00752"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00605","Drugs":["DB01181"]},{"ID":"SMP00448","Drugs":["DB01181"]}]},{"ID":"DB01182","Name":"Propafenone","DrugType":"small molecule","HalfLife":"2-10 hours","Description":"An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity. The drug is generally well tolerated. [PubChem]","Classification":{"Description":"This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.","DirectParent":"Chalcones and Dihydrochalcones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Chalcones and Dihydrochalcones"},"Indication":"Used to prolong the time to recurrence of paroxysmal atrial fibrillation/flutter (PAF) associated with disabling symptoms in patients without structural heart disease. Also used for the treatment of life-threatening documented ventricular arrhythmias, such as sustained ventricular tachycardia.","Toxicity":"Symptoms of propafenone overdose (usually most severe within the first 3 hours) may include convulsions (rarely), heartbeat irregularities, low blood pressure, and sleepiness.","MechanismOfAction":"The electrophysiological effect of propafenone manifests itself in a reduction of upstroke velocity (Phase 0) of the monophasic action potential. In Purkinje fibers, and to a lesser extent myocardial fibers, propafenone reduces the fast inward current carried by sodium ions, which is responsible for the drugs antiarrhythmic actions. Diastolic excitability threshold is increased and effective refractory period prolonged. Propafenone reduces spontaneous automaticity and depresses triggered activity. At very high concentrations in vitro, propafenone can inhibit the slow inward current carried by calcium but this calcium antagonist effect probably does not contribute to antiarrhythmic efficacy.","Pharmacodynamics":"Propafenone is a Class 1C antiarrhythmic drug with local anesthetic effects, and a direct stabilizing action on myocardial membranes. It is used in the treatment of atrial and ventricular arrhythmias. It works by slowing the influx of sodium ions into the cardiac muscle cells, causing a decrease in excitablity of the cells. Propafenone has local anesthetic activity approximately equal to procaine.","Absorption":"Nearly completely absorbed following oral administration (90%). Systemic bioavailability ranges from 5 to 50%, due to significant first-pass metabolism. This wide range in systemic bioavailability is related to two factors: presence of food (food increases bioavailability) and dosage (bioavailability is 3.4% for a 150-mg tablet compared to 10.6% for a 300-mg tablet).","Interactions":[{"ID":"DB01418"},{"ID":"DB01223"},{"ID":"DB01125"},{"ID":"DB06697"},{"ID":"DB00604"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB01341"},{"ID":"DB00476"},{"ID":"DB00651"},{"ID":"DB06414"},{"ID":"DB00472"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB00264"},{"ID":"DB00379"},{"ID":"DB08893"},{"ID":"DB01303"},{"ID":"DB00715"},{"ID":"DB00571"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01104"},{"ID":"DB00864"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00599"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB00697"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000148","Name":"Propafenone hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01183","Name":"Naloxone","DrugType":"small molecule","HalfLife":"Adults = 30-81 minutes;\r\nNeonates = 3.1 ± 0.5 hours. ","Description":"A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the complete or partial reversal of narcotic depression, including respiratory depression, induced by opioids including natural and synthetic narcotics, propoxyphene, methadone and the narcotic-antagonist analgesics: nalbuphine, pentazocine and butorphanol. It is also indicated for the diagnosis of suspected acute opioid overdose. It may also be used as an adjunctive agent to increase blood pressure in the management of septic shock. ","Toxicity":"LD50, IV administration, mouse = 150 ± 5 mg/kg;\r\nLD50, IV administration, rat = 109 ± 4 mg/kg; \r\n","MechanismOfAction":"While the mechanism of action of naloxone is not fully understood, the preponderance of evidence suggests that naloxone antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor. Recently, naloxone has been shown to bind all three opioid receptors (mu, kappa and gamma) but the strongest binding is to the mu receptor.","Pharmacodynamics":"Naloxone is an opiate antagonist and prevents or reverses the effects of opioids including respiratory depression, sedation and hypotension. Also, it can reverse the psychotomimetic and dysphoric effects of agonist-antagonists such as pentazocine. Naloxone is an essentially pure narcotic antagonist, i.e., it does not possess the \"agonistic\" or morphine-like properties characteristic of other narcotic antagonists; naloxone does not produce respiratory depression, psychotomimetic effects or pupillary constriction. In the absence of narcotics or agonistic effects of other narcotic antagonists, it exhibits essentially no pharmacologic activity. When given intravenously, the onset of action is apparent within 2 minutes. The onset of action is slower if given subcutaneously or intramuscularly. The duration of action also differs between sites of injection and dose. ","Absorption":"Well absorbed following intramuscular injection.","Interactions":null,"Salts":[{"ID":"DBSALT000126","Name":"Naloxone Hydrochloride "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00688","Drugs":["DB00368","DB00988","DB01183","DB01345","DB01373"]}]},{"ID":"DB01184","Name":"Domperidone","DrugType":"small molecule","HalfLife":"7 hours","Description":"A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms. [PubChem]","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"For management of dyspepsia, heartburn, epigastric pain, nausea, and vomiting.","Toxicity":"Side effects include galactorrhea, gynecomastia, or menstrual irregularities.","MechanismOfAction":"Domperidone acts as a gastrointestinal emptying (delayed) adjunct and peristaltic stimulant. The gastroprokinetic properties of domperidone are related to its peripheral dopamine receptor blocking properties. Domperidone facilitates gastric emptying and decreases small bowel transit time by increasing esophageal and gastric peristalsis and by lowering esophageal sphincter pressure. Antiemetic: The antiemetic properties of domperidone are related to its dopamine receptor blocking activity at both the chemoreceptor trigger zone and at the gastric level. It has strong affinities for the D2 and D3 dopamine receptors, which are found in the chemoreceptor trigger zone, located just outside the blood brain barrier, which - among others - regulates nausea and vomiting","Pharmacodynamics":"Domperidone is a specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.","Absorption":"Fast","Interactions":[{"ID":"DB06697"},{"ID":"DB00864"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01185","Name":"Fluoxymesterone","DrugType":"small molecule","HalfLife":"9.2 hours","Description":"An anabolic steroid that has been used in the treatment of male hypogonadism, delayed puberty in males, and in the treatment of breast neoplasms in women. [PubChem]","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"In males, used as replacement therapy in conditions associated with symptoms of deficiency or absence of endogenous testosterone. In females, for palliation of androgenresponsive recurrent mammary cancer in women who are more than one year but less than five years postmenopausal.","Toxicity":"Side effects include virilization (masculine traits in women), acne, fluid retention, and hypercalcemia.","MechanismOfAction":"Fluoxymesterone is a synthetic androgenic anabolic steroid and is approximately 5 times as potent as natural methyltestosterone. Like testosterone and other androgenic hormones, fluoxymesterone binds to the androgen receptor. It produces retention of nitrogen, sodium, potassium, and phosphorus; increases protein anabolism; decreases amino acid catabolism and decreased urinary excretion of calcium. The antitumour activity of fluoxymesterone appears related to reduction or competitive inhibition of prolactin receptors or estrogen receptors or production.","Pharmacodynamics":"Fluoxymesterone is a synthetic androgen, or male hormone, similar to testosterone. Fluoxymesterone works by attaching itself to androgen receptors; this causes it to interact with the parts of the cell involved in the making of proteins. It may cause an increase in the synthesis of some proteins or a decrease in the synthesis of others. These proteins have a variety of effects, including blocking the growth of some types of breast cancer cells, stimulating cells that cause male sexual characteristics, and stimulating the production of red blood cells.","Absorption":"Oral absorption is less than 44%.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01186","Name":"Pergolide","DrugType":"small molecule","HalfLife":"27 hours","Description":"Pergolide is a long-acting dopamine agonist approved in 1982 for the treatment of Parkinson’s Disease. It is an ergot derivative that acts on the dopamine D2 and D3, alpha2- and alpha1-adrenergic, and 5-hydroxytryptamine (5-HT) receptors. It was indicated as adjunct therapy with levodopa/carbidopa in the symptomatic treatment of parkinsonian syndrome. It was later found that pergolide increased the risk of cardiac valvulopathy. The drug was withdrawn from the US market in March 2007 and from the Canadian market in August 2007. ","Classification":{"Description":"This compound belongs to the indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.","DirectParent":"Indoloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Indoloquinolines"},"Indication":"Indicated as adjunctive treatment to levodopa/carbidopa in the management of the signs and symptoms of Parkinson's disease. It was withdrawn from the US and Canadian markets in 2007 due to an increased risk of cardiac valvulopathy. ","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 15 mg/kg. Symptoms of overdose include nausea, vomiting, convulsions, decreased blood pressure, and CNS stimulation.","MechanismOfAction":"The dopamine D\u003csub\u003e2\u003c/sub\u003e receptor is a 7-transmembrane G-protein coupled receptor associated with G\u003csub\u003ei\u003c/sub\u003e proteins. In lactotrophs, stimulation of dopamine D\u003csub\u003e2\u003c/sub\u003e receptor causes inhibition of adenylyl cyclase, which decreases intracellular cAMP concentrations and blocks IP3-dependent release of Ca\u003csup\u003e2+\u003c/sup\u003e from intracellular stores. Decreases in intracellular calcium levels may also be brought about via inhibition of calcium influx through voltage-gated calcium channels, rather than via inhibition of adenylyl cyclase. Additionally, receptor activation blocks phosphorylation of p42/p44 MAPK and decreases MAPK/ERK kinase phosphorylation. Inhibition of MAPK appears to be mediated by c-Raf and B-Raf-dependent inhibition of MAPK/ERK kinase. Dopamine-stimulated growth hormone release from the pituitary gland is mediated by a decrease in intracellular calcium influx through voltage-gated calcium channels rather than via adenylyl cyclase inhibition. Stimulation of dopamine D\u003csub\u003e2\u003c/sub\u003e receptors in the nigrostriatal pathway leads to improvements in coordinated muscle activity in those with movement disorders. ","Pharmacodynamics":"Pergolide stimulates centrally-located dopaminergic receptors resulting in a number of pharmacologic effects. Five dopamine receptor types from two dopaminergic subfamilies have been identified. The dopaminergic D1 receptor subfamily consists of D\u003csub\u003e1\u003c/sub\u003e and D\u003csub\u003e5\u003c/sub\u003e subreceptors and are associated with dyskinesias. The dopaminergic D2 receptor subfamily consists of D\u003csub\u003e2\u003c/sub\u003e, D\u003csub\u003e3\u003c/sub\u003e and D\u003csub\u003e4\u003c/sub\u003e subreceptors and has been associated with improvement of symptoms of movement disorders. Thus, agonist activity specific for D2 subfamily receptors, primarily D\u003csub\u003e2\u003c/sub\u003e and D\u003csub\u003e3\u003c/sub\u003e receptor subtypes, are the primary targets of dopaminergic antiparkinsonian agents. It is thought that postsynaptic D2 stimulation is primarily responsible for the antiparkinsonian effect of dopamine agonists, while presynaptic D2 stimulation confers neuroprotective effects. This semisynthetic ergot derivative exhibits potent agonist activity on dopamine D\u003csub\u003e2\u003c/sub\u003e- and D\u003csub\u003e3\u003c/sub\u003e-receptors. It also exhibits agonist activity on dopamine D\u003csub\u003e4\u003c/sub\u003e, D\u003csub\u003e1\u003c/sub\u003e, and D\u003csub\u003e5\u003c/sub\u003e, 5-hydroxytryptamine (5-HT)\u003csub\u003e1A\u003c/sub\u003e, 5-HT\u003csub\u003e1B\u003c/sub\u003e, 5-HT\u003csub\u003e1D\u003c/sub\u003e, 5-HT\u003csub\u003e2A\u003c/sub\u003e, 5-HT\u003csub\u003e2B\u003c/sub\u003e, 5-HT\u003csub\u003e2C\u003c/sub\u003e, \u0026alpha;\u003csub\u003e2A\u003c/sub\u003e-, \u0026alpha;\u003csub\u003e2B\u003c/sub\u003e-, \u0026alpha;\u003csub\u003e2C\u003c/sub\u003e-, \u0026alpha;\u003csub\u003e1A\u003c/sub\u003e-, \u0026alpha;\u003csub\u003e1B\u003c/sub\u003e-, and \u0026alpha;\u003csub\u003e1D\u003c/sub\u003e-adrenergic receptors. Parkinsonian Syndrome manifests when approximately 80% of dopaminergic activity in the nigrostriatal pathway of the brain is lost. As this striatum is involved in modulating the intensity of coordinated muscle activity (e.g. movement, balance, walking), loss of activity may result in dystonia (acute muscle contraction), Parkinsonism (including symptoms of bradykinesia, tremor, rigidity, and flattened affect), akathesia (inner restlessness), tardive dyskinesia (involuntary muscle movements usually associated with long-term loss of dopaminergic activity), and neuroleptic malignant syndrome, which manifests when complete blockage of nigrostriatal dopamine occurs. High dopaminergic activity in the mesolimbic pathway of the brain causes hallucinations and delusions; these side effects of dopamine agonists are manifestations seen in patients with schizophrenia who have overractivity in this area of the brain. The hallucinogenic side effects of dopamine agonists may also be due to 5-HT\u003csub\u003e2A\u003c/sub\u003e agonism. The tuberoinfundibular pathway of the brain originates in the hypothalamus and terminates in the pituitary gland. In this pathway, dopamine inhibits lactotrophs in anterior pituitary from secreting prolactin. Increased dopaminergic activity in the tuberoinfundibular pathway inhibits prolactin secretion. Pergolide also causes transient increases in somatotropin (growth hormone) secretion and decreases in luteinizing hormone (LH) concentrations. ","Absorption":"Significant amount may be absorbed (evidence on bioavailability still lacking).","Interactions":[{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB01187","Name":"Iophendylate","DrugType":"small molecule","HalfLife":"","Description":"Iophendylate is a mixture of isomers used as contrast medium, mainly for brain and spinal cord visualization. Iophendylate is a myelographic oil-ester (U.S. Patent 2,348,231). Iophendylate, which was never shown to be safe, was initially introduced for use in small amounts (1-2cc) for locating spinal tumors. It next appeared on the world scene for high volume (12-15cc), routine use, in diagnosing disc herniations. A number of clinicians have published on the dangers of oil myelography. In 1942 Van Wagenen (a neurosurgical colleague of Warrens, at the University of Rochester) identified Iophendylate as causing chemical meningitis in 30 patients where \"space-displacing masses within the spinal canal were suspected\".","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"Iophendylate is used as a contrast agent to locate spinal tumors.","Toxicity":"","MechanismOfAction":"Iophendylate has been shown to be both a radiographic and magnetic resonance (MR) contrast agent in patients with suspected cord abnormalities who underwent MR examination following myelography. The iophendylate appears as a linear band of high signal intensity along the dependent portion of the spinal canal on MR images obtained with a repetition time of 500 msec and an echo time of 30 msec.","Pharmacodynamics":"Iophendylate is a myelographic oil-ester initially introduced for use in small amounts (1-2cc) for locating spinal tumors. Later, it was found to cause adhesive arachnoiditis. Because these substances are hyperbaric once they were placed in the subarachnoid space they would migrate to the distal portion, where they remained, producing progressive scarring.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01188","Name":"Ciclopirox","DrugType":"small molecule","HalfLife":"1.7 hours for 1% topical solution.","Description":"Ciclopirox olamine (used in preparations called Batrafen, Loprox, Mycoster, Penlac and Stieprox) is a synthetic antifungal agent for topical dermatologic treatment of superficial mycoses. It is most useful against Tinea versicolor. [Wikipedia]","Classification":{"Description":"This compound belongs to the pyridinones. These are compounds containing a pyridine ring, which bears a ketone.","DirectParent":"Pyridinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"Used as a topical treatment in immunocompetent patients with mild to moderate onychomycosis of fingernails and toenails without lunula involvement, due to \u003ci\u003eTrichophyton rubrum\u003c/i\u003e.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat is \u003e10 ml/kg. Symptoms of overexposure include drowsiness and headache.","MechanismOfAction":"Unlike antifungals such as itraconazole and terbinafine, which affect sterol synthesis, ciclopirox is thought to act through the chelation of polyvalent metal cations, such as Fe\u003csup\u003e3+\u003c/sup\u003e and Al\u003csup\u003e3+\u003c/sup\u003e. These cations inhibit many enzymes, including cytochromes, thus disrupting cellular activities such as mitochondrial electron transport processes and energy production. Ciclopirox also appears to modify the plasma membrane of fungi, resulting in the disorganization of internal structures. The anti-inflammatory action of ciclopirox is most likely due to inhibition of 5-lipoxygenase and cyclooxygenase.\r\nciclopirox may exert its effect by disrupting DNA repair, cell division signals and structures (mitotic spindles) as well as some elements of intracellular transport. ","Pharmacodynamics":"Ciclopirox is a broad-spectrum antifungal medication that also has antibacterial and anti-inflammatory properties. Its main mode of action is thought to be its high affinity for trivalent cations, which inhibit essential co-factors in enzymes. Ciclopirox exhibits either fungistatic or fungicidal activity in vitro against a broad spectrum of fungal organisms, such as dermatophytes, yeasts, dimorphic fungi, eumycetes, and actinomycetes. In addition to its broad spectrum of action, ciclopirox also exerts antibacterial activity against many Gram-positive and Gram-negative bacteria. Furthermore, the anti-inflammatory effects of ciclopirox have been demonstrated in human polymorphonuclear cells, where ciclopirox has inhibited the synthesis of prostaglandin and leukotriene. Ciclopirox can also exhibit its anti-inflammatory effects by inhibiting the formation of 5-lipoxygenase and cyclooxygenase.","Absorption":"Rapidly absorbed after oral administration. Mean absorption of ciclopirox after application to nails of all twenty digits and adjacent 5 millimeters of skin once daily for 6 months in patients with dermatophytic onychomycoses was less than 5% of the applied dose. Ciclopirox olamine also penetrates into hair and through the epidermis and hair follicles into sebaceous glands and dermis.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01189","Name":"Desflurane","DrugType":"small molecule","HalfLife":"","Description":"Desflurane is a highly fluorinated methyl ethyl ether used for maintenance of general anaesthesia. Volatile agents such as desflurane may activate GABA channels and hyperpolarize cell membranes. In addition, they may inhibit certain calcium channels and therefore prevent release of neurotransmitters and inhibit glutamate channels. Volatile anesthetics easily partition into cellular membranes and could expand the volume of the cell membrane and subsequently distort channels necessary for sodium ion flux and the development of action potentials necessary for synaptic transmission. Desflurane preconditions human myocardium against ischemia through activation of mitochondrial K(ATP) channels, adenosine A1 receptor, and alpha and beta adrenoceptors.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For use as an inhalation agent for induction and/or maintenance of anesthesia for inpatient and outpatient surgery in adults.","Toxicity":"","MechanismOfAction":"Desflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Desflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase. Desflurane also binds to and agonizes the GABA receptor, the large conductance Ca\u003csup\u003e2+\u003c/sup\u003e activated potassium channel, the glycine receptors, and antagonizes the glutamate receptors. ","Pharmacodynamics":"Desflurane is a general inhalation anesthetic. It induces muscle relaxation and reduces pains sensitivity by altering tissue excitability. It does so by decreasing the extent of gap junction mediated cell-cell coupling and altering the activity of the channels that underlie the action potential.","Absorption":"Rapidly absorbed into the circulation via the lungs following inhalation.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01190","Name":"Clindamycin","DrugType":"small molecule","HalfLife":"2.4 hours","Description":"Clindamycin is a semisynthetic lincosamide antibiotic that has largely replaced lincomycin due to an improved side effect profile. Clindamycin inhibits bacterial protein synthesis by binding to bacterial 50S ribosomal subunits. It may be bacteriostatic or bactericidal depending on the organism and drug concentration. ","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of serious infections caused by susceptible anaerobic bacteria, including Bacteroides spp., Peptostreptococcus, anaerobic streptococci, Clostridium spp., and microaerophilic streptococci. May be useful in polymicrobic infections such as intra-abdominal or pelvic infections, osteomyelitis, diabetic foot ulcers, aspiration pneumonia and dental infections. May also be used to treat MSSA and respiratory infections caused by S. pneumoniae and S. pyogenes in patients who are intolerant to other indicated antibiotics or who are infected with resistant organism. May be used vaginally to treat vaginosis caused by Gardnerella vaginosa. Clindamycin reduces the toxin producing effects of S. aureus and S. pyogenes and as such, may be particularly useful for treating necrotizing fasciitis. May be used topically to treat acne.","Toxicity":"Adverse effects include nausea (may be dose-limiting), diarrhea, pseudomembranous colitis, allergic reactions, hepatoxicity, transient neutropenia and eosinophilia and agranulocytosis. Pseudomembranous colitis occurs in 0.01 - 10% of patients and occurs more commonly than with other antibiotics. Use of the topical formulation of clindamycin results in absorption of the antibiotic from the skin surface. Diarrhea, bloody diarrhea, and colitis (including pseudomembranous colitis) have been reported with the use of topical and systemic clindamycin.","MechanismOfAction":"Systemic/vaginal clindamycin inhibits protein synthesis of bacteria by binding to the 50S ribosomal subunits of the bacteria. Specifically, it binds primarily to the 23s RNA subunit. Topical clindamycin reduces free fatty acid concentrations on the skin and suppresses the growth of Propionibacterium acnes (Corynebacterium acnes) , an anaerobe found in sebaceous glands and follicles.","Pharmacodynamics":"Clindamycin is an antibiotic, similar to and a derivative of lincomycin. Clindamycin can be used in topical or systemic treatment. It is effective as an anti-anaerobic antibiotic and antiprotozoal.","Absorption":"Rapidly absorbed after oral administration with peak serum concentrations observed after about 45 minutes. Absorption of an oral dose is virtually complete (90%) and the concomitant intake of food does not appreciably modify the serum concentrations; serum levels have been uniform and predictable from person to person and dose to dose. Clindamycin does not penetrate the blood brain barrier.","Interactions":[{"ID":"DB01370"},{"ID":"DB00732"},{"ID":"DB01574"},{"ID":"DB00091"},{"ID":"DB01375"},{"ID":"DB01135"},{"ID":"DB01575"},{"ID":"DB01336"},{"ID":"DB01226"},{"ID":"DB01337"},{"ID":"DB01338"},{"ID":"DB00728"},{"ID":"DB00202"},{"ID":"DB01199"},{"ID":"DB01339"}],"Salts":[{"ID":"DBSALT000778","Name":"Clindamycin Phosphate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00249","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01190","DB01972","DB02431","DB03685"]}]},{"ID":"DB01191","Name":"Dexfenfluramine","DrugType":"small molecule","HalfLife":"17-20 hours","Description":"Dexfenfluramine, also marketed under the name Redux, is a serotoninergic anorectic drug. It was for some years in the mid-1990s approved by the United States Food and Drug Administration for the purposes of weight loss. However, following multiple concerns about the cardiovascular side-effects of the drug, such approval was withdrawn.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the management of obesity including weight loss and maintenance of weight loss in patients on a reduced calorie diet","Toxicity":"Symptoms of overdose include respiratory failure and cardiac arrest leading to death.","MechanismOfAction":"Dexfenfluramine binds to the serotonin reuptake pump. This causes inhbition of serotonin reuptake. The increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates.","Pharmacodynamics":"Used to treat diabetes and obesity, Dexfenfluramine decreases caloric intake by increasing serotonin levels in the brain\u0026rsquo;s synapses. Dexfenfluramine acts as a serotonin reuptake inhibitor. It also causes release of serotonin from the synaptosomes.","Absorption":"Well-absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00477"},{"ID":"DB00392"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01306"},{"ID":"DB01307"},{"ID":"DB01309"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB00777"},{"ID":"DB01367"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00285"}],"Salts":null,"Groups":{"approved":true,"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB01192","Name":"Oxymorphone","DrugType":"small molecule","HalfLife":"1.3 (+/-0.7) hours","Description":"An opioid analgesic with actions and uses similar to those of morphine, apart from an absence of cough suppressant activity. It is used in the treatment of moderate to severe pain, including pain in obstetrics. It may also be used as an adjunct to anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1092)","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"For the treatment of moderate-to-severe pain.","Toxicity":"Oxymorphone overdosage is characterized by respiratory depression, extreme somnolence progressing to stupor or coma, skeletal muscle flaccidity, cold and clammy skin, and sometimes bradycardia and hypotension. In a severe case of overdose, apnea, circulatory collapse, cardiac arrest, and death may occur. Intravenous mouse LD\u003csub\u003e50\u003c/sub\u003e is 172 mg/kg.\r\n\r\n","MechanismOfAction":"Oxymorphone interacts predominantly with the opioid mu-receptor. These mu-binding sites are discretely distributed in the human brain, with high densities in the posterior amygdala, hypothalamus, thalamus, nucleus caudatus, putamen, and certain cortical areas. They are also found on the terminal axons of primary afferents within laminae I and II (substantia gelatinosa) of the spinal cord and in the spinal nucleus of the trigeminal nerve. Also, it has been shown that oxymorphone binds to and inhibits GABA inhibitory interneurons via mu-receptors. These interneurons normally inhibit the descending pain inhibition pathway. So, without the inhibitory signals, pain modulation can proceed downstream.","Pharmacodynamics":"Oxymorphone is a semi-synthetic opioid substitute for morphine. It is a potent analgesic. Opioid analgesics exert their principal pharmacologic effects on the CNS and the gastrointestinal tract. The principal actions of therapeutic value are analgesia and sedation. Opioids produce respiratory depression by direct action on brain stem respiratory centers. The mechanism of respiratory depression involves a reduction in the responsiveness of the brain stem respiratory centers to increases in carbon dioxide tension and to electrical stimulation.","Absorption":"","Interactions":[{"ID":"DB06274"},{"ID":"DB00501"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00412","Drugs":["DB00368","DB00988","DB01192","DB01345","DB01373"]}]},{"ID":"DB01193","Name":"Acebutolol","DrugType":"small molecule","HalfLife":"The plasma elimination half-life is approximately 3 to 4 hours. The half-life of its metabolite, diacetolol, is 8 to 13 hours.","Description":"A cardioselective beta-adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm as well as weak inherent sympathomimetic action. [PubChem]","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For the management of hypertension and ventricular premature beats in adults.","Toxicity":"Symptoms of overdose include extreme bradycardia, advanced atrioventricular block, intraventricular conduction defects, hypotension, severe congestive heart failure, seizures, and in susceptible patients, bronchospasm, and hypoglycemia.","MechanismOfAction":"Acebutolol is a selective \u0026beta;1-receptor antagonist. Activation of \u0026beta;1-receptors by epinephrine increases the heart rate and the blood pressure, and the heart consumes more oxygen. Acebutolol blocks these receptors, lowering the heart rate and blood pressure. This drug then has the reverse effect of epinephrine. In addition, beta blockers prevent the release of renin, which is a hormone produced by the kidneys which leads to constriction of blood vessels.","Pharmacodynamics":"Acebutolol is a cardioselective, beta-adrenoreceptor blocking agent, which possesses mild intrinsic sympathomimetic activity (ISA) in its therapeutically effective dose range. In general, beta-blockers reduce the work the heart has to do and allow it to beat more regularly. Acebutolol has less antagonistic effects on peripheral vascular \u0026szlig;2-receptors at rest and after epinephrine stimulation than nonselective beta-antagonists. Low doses of acebutolol produce less evidence of bronchoconstriction than nonselective agents like propranolol but more than atenolol.","Absorption":"Well absorbed from the Gl tract with an absolute bioavailability of approximately 40% for the parent compound. In","Interactions":[{"ID":"DB00414"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01050"},{"ID":"DB05039"},{"ID":"DB00328"},{"ID":"DB01306"},{"ID":"DB01307"},{"ID":"DB00047"},{"ID":"DB01309"},{"ID":"DB00046"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB00912"},{"ID":"DB00938"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT000192","Name":"Acebutolol Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00296","Drugs":["DB01193","DB01345","DB01373"]}]},{"ID":"DB01194","Name":"Brinzolamide","DrugType":"small molecule","HalfLife":"111 days","Description":"Brinzolamide is a highly specific, non-competitive, reversible carbonic anhydrase inhibitor. Carbonic anhydrase (CA) is an enzyme found in many tissues of the body including the eye. It catalyzes the reversible reaction involving the hydration of carbon dioxide and the dehydration of carbonic acid. In humans, carbonic anhydrase exists as a number of isoenzymes, the most active being carbonic anhydrase II (CA-II). Inhibition of carbonic anhydrase in the ciliary processes of the eye decreases aqueous humor secretion, presumably by slowing the formation of bicarbonate ions with subsequent reduction in sodium and fluid transport. The result is a reduction in intraocular pressure. Brinzolamide is indicated in the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma.","Classification":{"Description":"This compound belongs to the thienothiazines. These are heterocyclic compounds containing a thiophene ring fused to a thiazine.","DirectParent":"Thienothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienothiazines","SubClass":""},"Indication":"For the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma.","Toxicity":"","MechanismOfAction":"Brinzolamide is a highly specific inhibitor of CA-II, which is the main CA isoenzyme involved in the secretion of aqueous humor. Inhibition of CA in the ciliary process of the eye slows the formation of bicarbonate, and reduces sodium and fluid transport. This results in a reduction in the rate of aqueous humor secretion and the intraocular pressure. Brinzolamide is absorbed systemically following topical ocular administration. Since it has a high affinity for CA-II, brinzolamide binds extensively to red blood cells, where CA-II is primarily found. As sufficient CA-II activity remains, adverse effects resulting from the systemic inhibition of CA by brinzolamide are not observed. The metabolite N-desethyl brinzolamide is also formed. This metabolite binds to CA and accumulates in red blood cells as well. In the presence of brinzolamide, the metabolite binds mainly to carbonic anhydrase I (CA-I).","Pharmacodynamics":"Used in the treatment of glaucoma, brinzolamide inhibits aqueous humor formation and reduces elevated intraocular pressure. Elevated intraocular pressure is a major risk factor in the pathogenesis of optic nerve damage and glaucomatous visual field loss. Brinzolamide can decrease intraocular pressure by approximately 16-19% in patients with elevated intraocular pressure.","Absorption":"Absorbed into systemic circulation following topical ocular application","Interactions":[{"ID":"DB00819"},{"ID":"DB01144"},{"ID":"DB00869"},{"ID":"DB00703"},{"ID":"DB00273"},{"ID":"DB00909"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01195","Name":"Flecainide","DrugType":"small molecule","HalfLife":"20 hours (range 12-27 hours)","Description":"A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial arrhythmias and tachycardias. Paradoxically, however, in myocardial infarct patients with either symptomatic or asymptomatic arrhythmia, flecainide exacerbates the arrhythmia and is not recommended for use in these patients. [PubChem]","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Flecainide is is a class Ic antiarrhythmic agent and as such, it is used for the prevention of paroxysmal supraventricular tachycardias (PSVT), including atrioventricular nodal reentrant tachycardia, atrioventricular reentrant tachycardia and other supraventricular tachycardias of unspecified mechanism associated with disablin.","Toxicity":"Oral LD50 is 50-498 mg/kg in rat. Symptoms of overdose include nausea and vomiting, convulsions, hypotension, bradycardia, syncope, extreme widening of the QRS complex, widening of the QT interval, widening of the PR interval, ventricular tachycardia, AV nodal block, asystole, bundle branch block, cardiac failure, and cardiac arrest.","MechanismOfAction":"Flecainide acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. The antiarrhythmic actions are mediated through effects on sodium channels in Purkinje fibers. Flecainide is a sodium channel blocker, binding to voltage gated sodium channels. It stabilizes the neuronal membrane by inhibiting the ionic fluxes required for the initiation and conduction of impulses. Ventricular excitability is depressed and the stimulation threshold of the ventricle is increased during diastole.","Pharmacodynamics":"Flecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.","Absorption":"Nearly complete following oral administration.","Interactions":[{"ID":"DB01118"},{"ID":"DB06697"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00476"},{"ID":"DB06414"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB08893"},{"ID":"DB01369"},{"ID":"DB00503"},{"ID":"DB00864"},{"ID":"DB00857"},{"ID":"DB00342"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000086","Name":"Flecainide acetate"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":[{"ID":"SMP00331","Drugs":["DB01195","DB01345","DB01373"]}]},{"ID":"DB01196","Name":"Estramustine","DrugType":"small molecule","HalfLife":"20 hours","Description":"A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties. [PubChem]","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"For the palliative treatment of patients with metastatic and/or progressive carcinoma of the prostate","Toxicity":"","MechanismOfAction":"Estramustine is a derivative of estradiol with a nitrogen mustard moiety. This gives it alkylating properties. In vivo, the nitrogen mustard component is active and can alklyate DNA and other cellular components (such as tubulin components) of rapidly dividing cells. This causes DNA strandbreaks or misscoding events. This leads to apoptosis and cell death. Also, due to the drugs estrogen component, it can bind more selectively to active estrogen receptors.","Pharmacodynamics":"Estramustine is an antineoplastic agent indicated in the palliative treatment of patients with metastatic and/or progressive carcinoma of the prostate. Estramustine is a combination of estradiol with nitrogen mustard. In vivo, the nitrogen-mustard moiety becomes active and participates in alkylation of DNA or other cellular components.. This causes DNA damage in rapidly dividing cancerous cells leading to cell death and ideally, tumor shrinkage.","Absorption":"","Interactions":[{"ID":"DB00258"},{"ID":"DB00720"},{"ID":"DB00072"}],"Salts":[{"ID":"DBSALT000845","Name":"Estramustin sodium phosphate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01197","Name":"Captopril","DrugType":"small molecule","HalfLife":"2 hours","Description":"Captopril is a potent, competitive inhibitor of angiotensin-converting enzyme (ACE), the enzyme responsible for the conversion of angiotensin I (ATI) to angiotensin II (ATII). ATII regulates blood pressure and is a key component of the renin-angiotensin-aldosterone system (RAAS). Captopril may be used in the treatment of hypertension. ","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of essential or renovascular hypertension (usually administered with other drugs, particularly thiazide diuretics). May be used to treat congestive heart failure in combination with other drugs (e.g. cardiac glycosides, diuretics, \u0026beta;-adrenergic blockers). May improve survival in patients with left ventricular dysfunction following myocardial infarction. May be used to treat nephropathy, including diabetic nephropathy. ","Toxicity":"Symptoms of overdose include emesis and decreased blood pressure. Side effects include dose-dependent rash (usually maculopapular), taste alterations, hypotension, gastric irritation, cough, and angioedema.","MechanismOfAction":"There are two isoforms of ACE: the somatic isoform, which exists as a glycoprotein comprised of a single polypeptide chain of 1277; and the testicular isoform, which has a lower molecular mass and is thought to play a role in sperm maturation and binding of sperm to the oviduct epithelium. Somatic ACE has two functionally active domains, N and C, which arise from tandem gene duplication. Although the two domains have high sequence similarity, they play distinct physiological roles. The C-domain is predominantly involved in blood pressure regulation while the N-domain plays a role in hematopoietic stem cell differentiation and proliferation. ACE inhibitors bind to and inhibit the activity of both domains, but have much greater affinity for and inhibitory activity against the C-domain. Captopril, one of the few ACE inhibitors that is not a prodrug, competes with ATI for binding to ACE and inhibits and enzymatic proteolysis of ATI to ATII. Decreasing ATII levels in the body decreases blood pressure by inhibiting the pressor effects of ATII as described in the Pharmacology section above. Captopril also causes an increase in plasma renin activity likely due to a loss of feedback inhibition mediated by ATII on the release of renin and/or stimulation of reflex mechanisms via baroreceptors. Captopril’s affinity for ACE is approximately 30,000 times greater than that of ATI.","Pharmacodynamics":"Captopril, an ACE inhibitor, antagonizes the effect of the RAAS. The RAAS is a homeostatic mechanism for regulating hemodynamics, water and electrolyte balance. During sympathetic stimulation or when renal blood pressure or blood flow is reduced, renin is released from the granular cells of the juxtaglomerular apparatus in the kidneys. In the blood stream, renin cleaves circulating angiotensinogen to ATI, which is subsequently cleaved to ATII by ACE. ATII increases blood pressure using a number of mechanisms. First, it stimulates the secretion of aldosterone from the adrenal cortex. Aldosterone travels to the distal convoluted tubule (DCT) and collecting tubule of nephrons where it increases sodium and water reabsorption by increasing the number of sodium channels and sodium-potassium ATPases on cell membranes. Second, ATII stimulates the secretion of vasopressin (also known as antidiuretic hormone or ADH) from the posterior pituitary gland. ADH stimulates further water reabsorption from the kidneys via insertion of aquaporin-2 channels on the apical surface of cells of the DCT and collecting tubules. Third, ATII increases blood pressure through direct arterial vasoconstriction. Stimulation of the Type 1 ATII receptor on vascular smooth muscle cells leads to a cascade of events resulting in myocyte contraction and vasoconstriction. In addition to these major effects, ATII induces the thirst response via stimulation of hypothalamic neurons. ACE inhibitors inhibit the rapid conversion of ATI to ATII and antagonize RAAS-induced increases in blood pressure. ACE (also known as kininase II) is also involved in the enzymatic deactivation of bradykinin, a vasodilator. Inhibiting the deactivation of bradykinin increases bradykinin levels and may sustain its effects by causing increased vasodilation and decreased blood pressure.","Absorption":"60-75% in fasting individuals; food decreases absorption by 25-40% (some evidence indicates that this is not clinically significant)","Interactions":[{"ID":"DB00594"},{"ID":"DB06692"},{"ID":"DB08822"},{"ID":"DB01395"},{"ID":"DB06196"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00857"},{"ID":"DB00697"},{"ID":"DB00684"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00146","Drugs":["DB01197","DB01593"]}]},{"ID":"DB01198","Name":"Zopiclone","DrugType":"small molecule","HalfLife":"Elimination half life is approximately 5 hours (range 3.8 to 6.5 hours) and is prolonged to 11.9 hours in patients with hepatic insufficiency.","Description":"Zopiclone is a novel hypnotic agent used in the treatment of insomnia. Its mechanism of action is based on modulating benzodiazepine receptors. In addition to zopiclone's benzodiazepine pharmacological properties it also has some barbiturate like properties.","Classification":{"Description":"This compound belongs to the cyclopyrrolones. These are compounds belonging to a familly of pyridin-2-ylpyrrole based chemicals. The the pyrrole is usually fused to a benzene, pyrimidine, or dithiin.","DirectParent":"Cyclopyrrolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrazines","SubClass":"Cyclopyrrolones"},"Indication":"For the short-term treatment of insomnia.","Toxicity":"Rare individual instances of fatal outcomes following overdose with racemic zopiclone have been reported in European postmarketing reports, most often associated with overdose with other CNS-depressant agent. Signs and symptoms of overdose effects of CNS depressants can be expected to present as exaggerations of the pharmacological effects noted in preclinical testing.","MechanismOfAction":"Zopiclone exerts its action by binding on the benzodiazepine receptor complex and modulation of the GABA\u003csub\u003eB\u003c/sub\u003eZ receptor chloride channel macromolecular complex. Both zopiclone and benzodiazepines act indiscriminately at the benzodiazepine binding site on α1, α2, α3 and α5 GABAA containing receptors as full agonists causing an enhancement of the inhibitory actions of GABA to produce the therapeutic (hypnotic and anxiolytic) and adverse effects of zopiclone.","Pharmacodynamics":"Zopiclone is a nonbenzodiazepine hypnotic from the pyrazolopyrimidine class and is indicated for the short-term treatment of insomnia. While Zopiclone is a hypnotic agent with a chemical structure unrelated to benzodiazepines, barbiturates, or other drugs with known hypnotic properties, it interacts with the gamma-aminobutyric acid-benzodiazepine (GABA\u003csub\u003eB\u003c/sub\u003eZ) receptor complex. Subunit modulation of the GABA\u003csub\u003eB\u003c/sub\u003eZ receptor chloride channel macromolecular complex is hypothesized to be responsible for some of the pharmacological properties of benzodiazepines, which include sedative, anxiolytic, muscle relaxant, and anticonvulsive effects in animal models. Zopiclone binds selectively to the brain alpha subunit of the GABA A omega-1 receptor.","Absorption":"Rapidly absorbed following oral administration.","Interactions":[{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB00199"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB01403"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01263"},{"ID":"DB00908"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB01124"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01199","Name":"Tubocurarine","DrugType":"small molecule","HalfLife":"1-2 hours","Description":"A neuromuscular blocker and active ingredient in curare; plant based alkaloid of Menispermaceae. [PubChem]","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"Used as a diagnosis agent for myasthenia gravis, and also to facilitate the intubation after induction of anesthesia in surgical procedure","Toxicity":"","MechanismOfAction":"Tubocurarine, the chief alkaloid in tobacco products, binds stereo-selectively to nicotinic-cholinergic receptors at the autonomic ganglia, in the adrenal medulla, at neuromuscular junctions, and in the brain. Two types of central nervous system effects are believed to be the basis of Tubocurarine's positively reinforcing properties. A stimulating effect is exerted mainly in the cortex via the locus ceruleus and a reward effect is exerted in the limbic system. At low doses the stimulant effects predominate while at high doses the reward effects predominate. Intermittent intravenous administration of Tubocurarine activates neurohormonal pathways, releasing acetylcholine, norepinephrine, dopamine, serotonin, vasopressin, beta-endorphin, growth hormone, and ACTH.","Pharmacodynamics":"Tubocurarine, a naturally occurring alkaloid, is used to treat smoking withdrawl syndrom.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB01223"},{"ID":"DB00993"},{"ID":"DB00564"},{"ID":"DB01190"},{"ID":"DB01320"},{"ID":"DB00798"},{"ID":"DB01627"},{"ID":"DB01033"},{"ID":"DB00955"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB00277"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000238","Name":"Tubocurarine Chloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01200","Name":"Bromocriptine","DrugType":"small molecule","HalfLife":"2-8 hours","Description":"Bromocriptine mesylate is a semisynthetic ergot alkaloid derivative with potent dopaminergic activity. It is indicated for the management of signs and symptoms of Parkinsonian Syndrome. Bromocriptine also inhibits prolactin secretion and may be used to treat dysfunctions associated with hyperprolactinemia. It also causes sustained suppression of somatotropin (growth hormone) secretion in some patients with acromegaly. Bromocriptine has been associated with pulmonary fibrosis. ","Classification":{"Description":"This compound belongs to the ergopeptines. These are ergoline derivatives that contain a tripeptide structure attached to the basic ergoline ring in the same location as the amide group of the lysergic acid derivatives.","DirectParent":"Ergopeptines","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Ergolines and Derivatives","SubClass":"Lysergic Acids and Derivatives"},"Indication":"For the treatment of galactorrhea due to hyperprolactinemia, prolactin-dependent menstrual disorders and infertility, prolactin-secreting adenomas, prolactin-dependent male hypogonadism, as adjunct therapy to surgery or radiotherapy for acromegaly or as monotherapy is special cases, as monotherapy in early Parksinsonian Syndrome or as an adjunct with levodopa in advanced cases with motor complications. Bromocriptine has also been used off-label to treat restless legs syndrome and neuroleptic malignant syndrome.","Toxicity":"Symptoms of overdosage include nausea, vomiting, and severe hypotension. The most common adverse effects include nausea, headache, vertigo, constipation, light-headedness, abdominal cramps, nasal congestion, diarrhea, and hypotension. ","MechanismOfAction":"The dopamine D\u003csub\u003e2\u003c/sub\u003e receptor is a 7-transmembrane G-protein coupled receptor associated with G\u003csub\u003ei\u003c/sub\u003e proteins. In lactotrophs, stimulation of dopamine D\u003csub\u003e2\u003c/sub\u003e receptor causes inhibition of adenylyl cyclase, which decreases intracellular cAMP concentrations and blocks IP3-dependent release of Ca\u003csup\u003e2+\u003c/sup\u003e from intracellular stores. Decreases in intracellular calcium levels may also be brought about via inhibition of calcium influx through voltage-gated calcium channels, rather than via inhibition of adenylyl cyclase. Additionally, receptor activation blocks phosphorylation of p42/p44 MAPK and decreases MAPK/ERK kinase phosphorylation. Inhibition of MAPK appears to be mediated by c-Raf and B-Raf-dependent inhibition of MAPK/ERK kinase. Dopamine-stimulated growth hormone release from the pituitary gland is mediated by a decrease in intracellular calcium influx through voltage-gated calcium channels rather than via adenylyl cyclase inhibition. Stimulation of dopamine D\u003csub\u003e2\u003c/sub\u003e receptors in the nigrostriatal pathway leads to improvements in coordinated muscle activity in those with movement disorders. ","Pharmacodynamics":"Bromocriptine stimulates centrally-located dopaminergic receptors resulting in a number of pharmacologic effects. Five dopamine receptor types from two dopaminergic subfamilies have been identified. The dopaminergic D1 receptor subfamily consists of D\u003csub\u003e1\u003c/sub\u003e and D\u003csub\u003e5\u003c/sub\u003e subreceptors, which are associated with dyskinesias. The dopaminergic D2 receptor subfamily consists of D\u003csub\u003e2\u003c/sub\u003e, D\u003csub\u003e3\u003c/sub\u003e and D\u003csub\u003e4\u003c/sub\u003e subreceptors, which are associated with improvement of symptoms of movement disorders. Thus, agonist activity specific for D2 subfamily receptors, primarily D\u003csub\u003e2\u003c/sub\u003e and D\u003csub\u003e3\u003c/sub\u003e receptor subtypes, are the primary targets of dopaminergic antiparkinsonian agents. It is thought that postsynaptic D\u003csub\u003e2\u003c/sub\u003e stimulation is primarily responsible for the antiparkinsonian effect of dopamine agonists, while presynaptic D\u003csub\u003e2\u003c/sub\u003e stimulation confers neuroprotective effects. This semisynthetic ergot derivative exhibits potent agonist activity on dopamine D\u003csub\u003e2\u003c/sub\u003e-receptors. It also exhibits agonist activity (in order of decreasing binding affinity) on 5-hydroxytryptamine (5-HT)\u003csub\u003e1D\u003c/sub\u003e, dopamine D\u003csub\u003e3\u003c/sub\u003e, 5-HT\u003csub\u003e1A\u003c/sub\u003e, 5-HT\u003csub\u003e2A\u003c/sub\u003e, 5-HT\u003csub\u003e1B\u003c/sub\u003e, and 5-HT\u003csub\u003e2C\u003c/sub\u003e receptors, antagonist activity on \u0026alpha;\u003csub\u003e2A\u003c/sub\u003e-adrenergic, \u0026alpha;\u003csub\u003e2C\u003c/sub\u003e, \u0026alpha;\u003csub\u003e2B\u003c/sub\u003e, and dopamine D\u003csub\u003e1\u003c/sub\u003e receptors, partial agonist activity at receptor 5-HT\u003csub\u003e2B\u003c/sub\u003e, and inactivates dopamine D\u003csub\u003e4\u003c/sub\u003e and 5-HT\u003csub\u003e7\u003c/sub\u003e receptors. Parkinsonian Syndrome manifests when approximately 80% of dopaminergic activity in the nigrostriatal pathway of the brain is lost. As this striatum is involved in modulating the intensity of coordinated muscle activity (e.g. movement, balance, walking), loss of activity may result in dystonia (acute muscle contraction), Parkinsonism (including symptoms of bradykinesia, tremor, rigidity, and flattened affect), akathesia (inner restlessness), tardive dyskinesia (involuntary muscle movements usually associated with long-term loss of dopaminergic activity), and neuroleptic malignant syndrome, which manifests when complete blockage of nigrostriatal dopamine occurs. High dopaminergic activity in the mesolimbic pathway of the brain causes hallucinations and delusions; these side effects of dopamine agonists are manifestations seen in patients with schizophrenia who have overractivity in this area of the brain. The hallucinogenic side effects of dopamine agonists may also be due to 5-HT\u003csub\u003e2A\u003c/sub\u003e agonism. The tuberoinfundibular pathway of the brain originates in the hypothalamus and terminates in the pituitary gland. In this pathway, dopamine inhibits lactotrophs in anterior pituitary from secreting prolactin. Increased dopaminergic activity in the tuberoinfundibular pathway inhibits prolactin secretion making bromocriptine an effective agent for treating disorders associated with hypersecretion of prolactin. Pulmonary fibrosis may be associated bromocriptine’s agonist activity at 5-HT\u003csub\u003e1B\u003c/sub\u003e and 5-HT\u003csub\u003e2B\u003c/sub\u003e receptors. ","Absorption":"Approximately 28% of the oral dose is absorbed; however due to a substantial first pass effect, only 6% of the oral dose reaches the systemic circulation unchanged. Bromocriptine and its metabolites appear in the blood as early as 10 minutes following oral administration and peak plasma concentration are reached within 1-1.5 hours. Serum prolactin may be decreased within 2 hours or oral administration with a maximal effect achieved after 8 hours. Growth hormone concentrations in patients with acromegaly is reduced within 1-2 hours with a single oral dose of 2.5 mg and decreased growth hormone concentrations persist for at least 4-5 hours. ","Interactions":[{"ID":"DB01063"},{"ID":"DB01246"},{"ID":"DB00477"},{"ID":"DB06700"},{"ID":"DB00199"},{"ID":"DB00392"},{"ID":"DB00623"},{"ID":"DB01321"},{"ID":"DB00933"},{"ID":"DB00902"},{"ID":"DB01403"},{"ID":"DB01267"},{"ID":"DB00850"},{"ID":"DB00397"},{"ID":"DB00433"},{"ID":"DB00420"},{"ID":"DB01069"},{"ID":"DB00777"},{"ID":"DB00852"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00372"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00831"},{"ID":"DB00508"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01201","Name":"Rifapentine","DrugType":"small molecule","HalfLife":"","Description":"Rifapentine is an antibiotic drug used in the treatment of tuberculosis. It inhibits DNA-dependent RNA polymerase activity in susceptible cells. Specifically, it interacts with bacterial RNA polymerase but does not inhibit the mammalian enzyme.","Classification":{"Description":"This compound belongs to the naphthofurans. These are compounds containing a furan ring fused to a naphthalene moeity.","DirectParent":"Naphthofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthofurans","SubClass":""},"Indication":"For the treatment of pulmonary tuberculosis.","Toxicity":"","MechanismOfAction":"Rifapentine has shown higher bacteriostatic and bactericidal activities especially against intracellular bacteria growing in human monocyte-derived macrophages. Rifapentine inhibits DNA-dependent RNA polymerase in susceptible strains of M. tuberculosis. Rifapentine acts via the inhibition of DNA-dependent RNA polymerase, leading to a suppression of RNA synthesis and cell death.","Pharmacodynamics":"Rifapentine is an antibiotic that inhibits DNA-dependent RNA polymerase activity in susceptible cells. Specifically, it interacts with bacterial RNA polymerase but does not inhibit the mammalian enzyme. It is bactericidal and has a very broad spectrum of activity against most gram-positive and gram-negative organisms (including Pseudomonas aeruginosa) and specifically Mycobacterium tuberculosis. Because of rapid emergence of resistant bacteria, use is restricted to treatment of mycobacterial infections and a few other indications. Rifampin is well absorbed when taken orally and is distributed widely in body tissues and fluids, including the CSF. It is metabolized in the liver and eliminated in bile and, to a much lesser extent, in urine, but dose adjustments are unnecessary with renal insufficiency.","Absorption":"Rapidly and well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB05812"},{"ID":"DB01558"},{"ID":"DB06772"},{"ID":"DB00530"},{"ID":"DB08866"},{"ID":"DB00977"},{"ID":"DB00333"},{"ID":"DB00717"},{"ID":"DB08864"},{"ID":"DB01656"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00857"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB05294"},{"ID":"DB08881"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00495"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01202","Name":"Levetiracetam","DrugType":"small molecule","HalfLife":"6-8 hours","Description":"Levetiracetam is an anticonvulsant medication used to treat epilepsy. Levetiracetam may selectively prevent hypersynchronization of epileptiform burst firing and propagation of seizure activity. Levetiracetam binds to the synaptic vesicle protein SV2A, which is thought to be involved in the regulation of vesicle exocytosis. Although the molecular significance of levetiracetam binding to synaptic vesicle protein SV2A is not understood, levetiracetam and related analogs showed a rank order of affinity for SV2A which correlated with the potency of their antiseizure activity in audiogenic seizure-prone mice.","Classification":{"Description":"This compound belongs to the pyrrolidones. These are compounds containing a pyrrolidine ring which bears a ketone.","DirectParent":"Pyrrolidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Pyrrolidones"},"Indication":"Used as adjunctive therapy in the treatment of partial onset seizures in adults and children 4 years of age and older with epilepsy.","Toxicity":"Side effects include aggression, agitation, coma, drowsiness, reduced consciousness, slowed breathing","MechanismOfAction":"The precise mechanism(s) by which levetiracetam exerts its antiepileptic effect is unknown. The antiepileptic activity of levetiracetam was assessed in a number of animal models of epileptic seizures. Levetiracetam did not inhibit single seizures induced by maximal stimulation with electrical current or different chemoconvulsants and showed only minimal activity in submaximal stimulation and in threshold tests. Protection was observed, however, against secondarily generalized activity from focal seizures induced by pilocarpine and kainic acid, two chemoconvulsants that induce seizures that mimic some features of human complex partial seizures with secondary generalization. Levetiracetam also displayed inhibitory properties in the kindling model in rats, another model of human complex partial seizures, both during kindling development and in the fully kindled state. The predictive value of these animal models for specific types of human epilepsy is uncertain. Levetiracetam is thought to stimulate synaptic vesicle protein 2A (SV2A), inhibiting neurotransmitter release.","Pharmacodynamics":"","Absorption":"Rapidly and almost completely absorbed after oral administration (99%). Peak plasma concentrations occurring in about an hour following oral administration in fasted subjects.","Interactions":[{"ID":"DB00564"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01203","Name":"Nadolol","DrugType":"small molecule","HalfLife":"14-24 hours","Description":"A non-selective beta-adrenergic antagonist with a long half-life, used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. Nadolol is also used for migraine disorders and for tremor. [PubChem]","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"Used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 4500mg/kg. Symptoms of overdose include abdominal irritation, central nervous system depression, coma, extremely slow heartbeat, heart failure, lethargy, low blood pressure, and wheezing.","MechanismOfAction":"Like other beta-adrenergic antagonists, nadolol competes with adrenergic neurotransmitters such as catecholamines for binding at sympathetic receptor sites. Like propranolol and timolol, nadolol binds at beta(1)-adrenergic receptors in the heart and vascular smooth muscle, inhibiting the effects of the catecholamines epinephrine and norepinephrine and decreasing heart rate, cardiac output, and systolic and diastolic blood pressure. It also blocks beta-2 adrenergic receptors located in bronchiole smooth muscle, causing vasoconstriction. By binding beta-2 receptors in the juxtaglomerular apparatus, nadolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production. Nadolol therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively.","Pharmacodynamics":"Nadolol is a nonselective beta-adrenergic receptor antagonist with a long half-life, and is structurally similar to propranolol. Clinical pharmacology studies have demonstrated beta-blocking activity by showing (1) reduction in heart rate and cardiac output at rest and on exercise, (2) reduction of systolic and diastolic blood pressure at rest and on exercise, (3) inhibition of isoproterenol-induced tachycardia, and (4) reduction of reflex orthostatic tachycardia. Nadolol has no intrinsic sympathomimetic activity and, unlike some other beta-adrenergic blocking agents, nadolol has little direct myocardial depressant activity and does not have an anesthetic-like membrane-stabilizing action.","Absorption":"Absorption of nadolol after oral dosing is variable, averaging about 30 percent.","Interactions":[{"ID":"DB00414"},{"ID":"DB01223"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00651"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00968"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB01303"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB01366"},{"ID":"DB00912"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00277"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00303","Drugs":["DB01203","DB01345","DB01373"]}]},{"ID":"DB01204","Name":"Mitoxantrone","DrugType":"small molecule","HalfLife":"75 hours","Description":"An anthracenedione-derived antineoplastic agent. [PubChem]","Classification":{"Description":"This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring.","DirectParent":"Anthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"For the treatment of secondary (chronic) progressive, progressive relapsing, or worsening relapsing-remitting multiple sclerosis","Toxicity":"Severe leukopenia with infection.","MechanismOfAction":"Mitoxantrone, a DNA-reactive agent that intercalates into deoxyribonucleic acid (DNA) through hydrogen bonding, causes crosslinks and strand breaks. Mitoxantrone also interferes with ribonucleic acid (RNA) and is a potent inhibitor of topoisomerase II, an enzyme responsible for uncoiling and repairing damaged DNA. It has a cytocidal effect on both proliferating and nonproliferating cultured human cells, suggesting lack of cell cycle phase specificity.","Pharmacodynamics":"Mitoxantrone has been shown in vitro to inhibit B cell, T cell, and macrophage proliferation and impair antigen presentation, as well as the secretion of interferon gamma, TNFa, and IL-2.","Absorption":"Poorly absorbed following oral administration","Interactions":[{"ID":"DB00072"}],"Salts":[{"ID":"DBSALT000121","Name":"Mitoxantrone hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01205","Name":"Flumazenil","DrugType":"small molecule","HalfLife":"Initial distribution half-life is 4 to 11 minutes and the terminal half-life is 40 to 80 minutes. Prolongation of the half-life to 1.3 hours in patients with moderate hepatic impairment and 2.4 hours in severely impaired patients. Compared to adults, the elimination half-life in pediatric patients was more variable, averaging 40 minutes (range: 20 to 75 minutes).","Description":"Fumazenil is an imidazobenzodiazepine derivative and a potent benzodiazepine receptor antagonist that competitively inhibits the activity at the benzodiazepine recognition site on the GABA/benzodiazepine receptor complex, thereby reversing the effects of benzodiazepine on the central nervous system.","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For the complete or partial reversal of the sedative effects of benzodiazepines in cases where general anesthesia has been induced and/or maintained with benzodiazepines, and where sedation has been produced with benzodiazepines for diagnostic and therapeutic procedures. Also for the management of benzodiazepine overdose as an adjunct for appropriate supportive and symptomatic measures.","Toxicity":"In clinical studies, most adverse reactions to flumazenil were an extension of the pharmacologic effects of the drug in reversing benzodiazepine effects.","MechanismOfAction":"Flumazenil, an imidazobenzodiazepine derivative, antagonizes the actions of benzodiazepines on the central nervous system. Flumazenil competitively inhibits the activity at the benzodiazepine recognition site on the GABA/benzodiazepine receptor complex. Flumazenil is a weak partial agonist in some animal models of activity, but has little or no agonist activity in man.","Pharmacodynamics":"Flumazenil antagonizes the CNS effects produced by benzodiazepines, but does not antagonize the central nervous system effects of drugs affecting GABA-ergic neurons by means other than the benzodiazepine receptor (including ethanol, barbiturates, or general anesthetics) and does not reverse the effects of opioids.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01206","Name":"Lomustine","DrugType":"small molecule","HalfLife":"Approximately 94 minutes, however the metabolites have a serum half-life of 16 to 48 hours.","Description":"An alkylating agent of value against both hematologic malignancies and solid tumors. [PubChem]","Classification":{"Description":"This compound belongs to the semicarbazides. These are organic compounds containing the semicarbazide functional grou with the general structure R1(N)R2NR3C(=O)N(R4)R5 (R1-R5=H,alkyl,aryl), a derivative of urea, where the amine group on one side has been replace by an hydrazine group.","DirectParent":"Semicarbazides","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Hydrazines and Derivatives","SubClass":"Semicarbazides"},"Indication":"For the treatment of primary and metastatic brain tumors as a component of combination chemotherapy in addition to appropriate surgical and/or radiotherapeutic procedures. Also used in combination with other agents as secondary therapy for the treatment of refractory or relapsed Hodgkin's disease.","Toxicity":"Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 70 mg/kg. Pulmonary toxicity has been reported at cumulative doses usually greater than 1,100 mg/m2. There is one report of pulmonary toxicity at a cumulative dose of only 600 mg. The onset of toxicity has varied from 6 months after initiation of therapy, to as late as 15 years after.","MechanismOfAction":"Lomustine is a highly lipophilic nitrosourea compound which undergoes hydrolysis in vivo to form reactive metabolites. These metabolites cause alkylation and cross-linking of DNA (at the O6 position of guanine-containing bases) and RNA, thus inducing cytotoxicity. Other biologic effects include inhibition of DNA synthesis and some cell cycle phase specificity. Nitrosureas generally lack cross-resistance with other alkylating agents. As lomustine is a nitrosurea, it may also inhibit several key processes such as carbamoylation and modification of cellular proteins.","Pharmacodynamics":"Lomustine is an alkylating agent of the nitrosourea type. Lomustine and its metabolites interferes with the function of DNA and RNA. It is cell cycle\u0026ndash;phase nonspecific. Cancers form when some cells within the body multiply uncontrollably and abnormally. These cells then spread and destroy nearby tissues. Lomustine acts by slowing this process down. It kills cancer cells by damaging the DNA (the genetic material inside the cells) and stops them from dividing.","Absorption":"Well and rapidly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00289"},{"ID":"DB06769"},{"ID":"DB00857"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01207","Name":"Ridogrel","DrugType":"small molecule","HalfLife":"","Description":"Ridogrel is a dual action drug useful for the prevention of systemic thrombo-embolism and as an adjunctive agent to thrombolytic therapy in acute myocardial infarction. However, there currently are no clinical indications for preferential use of ridogrel over aspirin.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction.","Toxicity":"","MechanismOfAction":"Ridogrel inhibits thromboxane A2 synthase and also blocks the thromboxane A2/prostaglandin endoperoxide receptors.\r\nThromboxane synthetase produces thromboxane in platelets. Thromboxane is a vasoconstrictor and facilitates the clumping of platelets. Therefore by inhibiting the production and promotion of thromboxane, thrombolysis is enhanced.","Pharmacodynamics":"Ridogrel, a combined thromboxane synthase inhibitor and receptor antagonist, is used with streptokinase as an adjunctive therapy to reduce the formation and size of blood clots. Blood clots can cause ischemic cardiac events (heart attacks). Ridogrel has the dual property of inhibiting the synthesis of thromboxane and blocking the receptors of thromboxane/prostaglandin/endoperoxides. It has been shown to accelerate the speed of recanalization and to delay or prevent reocclusion during systemic thrombolysis with tissue plasminogen activator (streptokinase). Ridogrel is a more potent antiplatelet agent than aspirin and might offer an advantage over aspirin as an adjunct to thrombolysis in patients suffering from acute myocardial infarction. While aspirin inhibits cyclooxygenase, the enzyme responsible for producing thromboxane, ridogrel inhibits thromboxane synthesis directly. A recent comparison between aspirin and ridogrel in as adjunct to thrombolysis in patients with acute myocardial infarction demonstrated that ridogrel is not superior to aspirin in enhancing the fibrinolytic efficacy of streptokinase but might be more effective in preventing new ischemic events. Clinical experience with this drug is still relatively limited.","Absorption":"Rapidly absorbed after oral administration (30-60 min)","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01208","Name":"Sparfloxacin","DrugType":"small molecule","HalfLife":"Mean terminal elimination half-life of 20 hours (range 16-30 hours). Prolonged in patients with renal impairment (creatinine clearance \u0026lt;50 mL/min).","Description":"Sparfloxacin is a fluoroquinolone antibiotic used in the treatment of bacterial infections. Sparfloxacin exerts its antibacterial activity by inhibiting DNA gyrase, a bacterial topoisomerase. DNA gyrase is an essential enzyme which controls DNA topology and assists in DNA replication, repair, deactivation, and transcription.","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"For the treatment of adults with the following infections caused by susceptible strains microorganisms: community-acquired pneumonia (caused by \u003ci\u003eChlamydia pneumoniae\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e, \u003ci\u003eHaemophilus parainfluenzae\u003c/i\u003e, \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e, \u003ci\u003eMycoplasma pneumoniae\u003c/i\u003e, or \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e) and acute bacterial exacerbations of chronic bronchitis (caused by \u003ci\u003eChlamydia pneumoniae\u003c/i\u003e, \u003ci\u003eEnterobacter cloacae\u003c/i\u003e, \u003ci\u003eHaemophilus influenzae\u003c/i\u003e, \u003ci\u003eHaemophilus parainfluenzae\u003c/i\u003e, \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, \u003ci\u003eMoraxella catarrhalis\u003c/i\u003e, \u003ci\u003eStaphylococcus aureus\u003c/i\u003e, or \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e).","Toxicity":"Single doses of sparfloxacin were relatively non-toxic via the oral route of administration in mice, rats, and dogs. No deaths occurred within a 14-day post-treatment observation period at the highest oral doses tested, up to 5000 mg/kg in either rodent species, or up to 600 mg/kg in the dog. Clinical signs observed included inactivity in mice and dogs, diarrhea in both rodent species, and vomiting, salivation, and tremors in dogs.","MechanismOfAction":"The bactericidal action of sparfloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, and recombination.","Pharmacodynamics":"Sparfloxacin is a synthetic fluoroquinolone broad-spectrum antimicrobial agent in the same class as ofloxacin and norfloxacin. Sparfloxacin has in vitro activity against a wide range of gram-negative and gram-positive microorganisms. Sparfloxacin exerts its antibacterial activity by inhibiting DNA gyrase, a bacterial topoisomerase. DNA gyrase is an essential enzyme which controls DNA topology and assists in DNA replication, repair, deactivation, and transcription. Quinolones differ in chemical structure and mode of action from (beta)-lactam antibiotics. Quinolones may, therefore, be active against bacteria resistant to (beta)-lactam antibiotics. Although cross-resistance has been observed between sparfloxacin and other fluoroquinolones, some microorganisms resistant to other fluoroquinolones may be susceptible to sparfloxacin. In vitro tests show that the combination of sparfloxacin and rifampin is antagonistic against Staphylococcus aureus.","Absorption":"Well absorbed following oral administration with an absolute oral bioavailability of 92%. Unaffected by administration with milk or food, however concurrent administration of antacids containing magnesium hydroxide and aluminum hydroxide reduces the oral bioavailability of sparfloxacin by as much as 50%.","Interactions":[{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB01244"},{"ID":"DB00258"},{"ID":"DB00477"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB00280"},{"ID":"DB01142"},{"ID":"DB00199"},{"ID":"DB00623"},{"ID":"DB00458"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00540"},{"ID":"DB00850"},{"ID":"DB00433"},{"ID":"DB01069"},{"ID":"DB00908"},{"ID":"DB00864"},{"ID":"DB00342"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00831"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01209","Name":"Dezocine","DrugType":"small molecule","HalfLife":"Elimination half-life following intramuscular administration averages 2.2 hours. Elimination half-life following a 5mg intravenous dose averages 1.7 to 2.6 hours (range 0.6 to 4.4 hours) while a 10mg dose averages 2.4 to 2.6 hours (range 1.2 to 7.4 hours). In patients with hepatic cirrhosis, the half-life is increased by 30 to 50%.","Description":"Dezocine is a partial opiate drug and is used for pain management. Dezocine is a very effective alternative to fentanyl when administered during outpatient laparoscopy, although is associated with an increased incidence of postoperative nausea. ","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"Indicated in the treatment of moderate to severe pain.","Toxicity":"Symptoms of overdose include cold and clammy skin, confusion, nervousness, or severe restlessness, convulsions (seizures), severe dizziness, severe drowsiness, low blood pressure, pinpoint pupils of eyes, slow heartbeat, slow or troubled breathing and severe weakness.","MechanismOfAction":"Dezocine is a opioid analgesic drug of mixed agonist-antagonist type. It binds with stereospecific receptors at many sites within the central nervous system (CNS) to alter processes affecting both the perception of pain and the emotional response to pain. At least 2 of these types of receptors (mu and kappa) mediate analgesia. Mu receptors are widely distributed throughout the CNS, especially in the limbic system (frontal cortex, temporal cortex, amygdala, and hippocampus), thalamus, striatum, hypothalamus, and midbrain as well as laminae I, II, IV, and V of the dorsal horn in the spinal cord. Kappa receptors are localized primarily in the spinal cord and in the cerebral cortex.","Pharmacodynamics":"Dezocine is a parenteral narcotic analgesic possessing both agonist and antagonist activity. It is similar to morphine with respect to analgesic potency and onset and duration of action. The narcotic antagonist activity is greater than that of pentazocine.","Absorption":"Rapid and complete following intramuscular administration.","Interactions":[{"ID":"DB06274"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00676","Drugs":["DB00368","DB00988","DB01209","DB01345","DB01373"]}]},{"ID":"DB01210","Name":"Levobunolol","DrugType":"small molecule","HalfLife":"20 hours","Description":"A nonselective beta-adrenoceptor antagonist used in the treatment of glaucoma. [PubChem]","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"For lowering intraocular pressure (IOP) and may be used in patients with chronic open-angle glaucoma or ocular hypertension.","Toxicity":"Bradycardia, hypotension, bronchospasm, and acute cardiac failure, LD\u003csub\u003e50\u003c/sub\u003e=700 mg/kg (orally in rat).","MechanismOfAction":"Levobunolol's mechanism of action in reducing IOP is not clearly defined, but is believed to be due to a reduction of the production of aqueous humor via blockage of endogenous catecholamine-stimulated increases in cyclic adenosine monophosphate (AMP) concentrations within the ciliary processes.","Pharmacodynamics":"Levobunolol is an ophthalmic beta-blocker, equally effective at \u0026beta;(1)- and \u0026beta;(2)-receptor sites. Levobunolol reduces both elevated and normal IOP in patients with or without glaucoma. In patients with elevated IOP, levobunolol reduces mean IOP by approximately 25-40% from baseline. As the drug is a nonselective \u0026beta-adrenergic blocking agent, it can produce both systemic pulmonary and cardiovascular effects following topical application to the eye. These effects include adverse pulmonary effects (eg. bronchoconstriction, increased airway resistance), and a decrease in blood pressure and heart rate. ","Absorption":"80%","Interactions":[{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000251","Name":"Levobunolol Hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00666","Drugs":["DB01210","DB01345","DB01373"]}]},{"ID":"DB01211","Name":"Clarithromycin","DrugType":"small molecule","HalfLife":"3-4 hours","Description":"Clarithromycin, a semisynthetic macrolide antibiotic derived from erythromycin, inhibits bacterial protein synthesis by binding to the bacterial 50S ribosomal subunit. Binding inhibits peptidyl transferase activity and interferes with amino acid translocation during the translation and protein assembly process. Clarithromycin may be bacteriostatic or bactericidal depending on the organism and drug concentration. ","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"An alternative medication for the treatment of acute otitis media caused by \u003ci\u003eH. influenzae, M. catarrhalis, or S. pneumoniae\u003c/i\u003e in patients with a history of type I penicillin hypersensitivity. Also for the treatment of pharyngitis and tonsillitis caused by susceptible \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e, as well as respiratory tract infections including acute maxillary sinusitis, acute bacterial exacerbations of chronic bronchitis, mild to moderate community-acquired pneuomia, Legionnaires' disease, and pertussis. Other indications include treatment of uncomplicated skin or skin structure infections, helicobacter pylori infection, duodenal ulcer disease, bartonella infections, early Lyme disease, and encephalitis caused by \u003ci\u003eToxoplasma gondii\u003c/i\u003e (in HIV infected patients in conjunction with pyrimethamine). Clarithromycin may also decrease the incidence of cryptosporidiosis, prevent the occurence of α-hemolytic (viridans group) streptococcal endocarditis, as well as serve as a primary prevention for \u003ci\u003eMycobacterium avium\u003c/i\u003e complex (MAC) bacteremia or disseminated infections (in adults, adolescents, and children with advanced HIV infection).","Toxicity":"Symptoms of toxicity include diarrhea, nausea, abnormal taste, dyspepsia, and abdominal discomfort. Transient hearing loss with high doses has been observed. Pseudomembraneous colitis has been reported with clarithromycin use. Allergic reactions ranging from urticaria and mild skin eruptions to rare cases of anaphylaxis and Stevens-Johnson syndrome have also occurred. Rare cases of severe hepatic dysfunctions also have been reported. Hepatic failure is usually reversible, but fatalities have been reported. Clarithromycin may also cause tooth decolouration which may be removed by dental cleaning. Fetal abnormalities, such as cardiovascular defects, cleft palate and fetal growth retardation, have been observed in animals. Clarithromycin may cause QT prolongation.","MechanismOfAction":"Clarithromycin is first metabolized to 14-OH clarithromycin, which is active and works synergistically with its parent compound. Like other macrolides, it then penetrates bacteria cell wall and reversibly binds to domain V of the 23S ribosomal RNA of the 50S subunit of the bacterial ribosome, blocking translocation of aminoacyl transfer-RNA and polypeptide synthesis. Clarithromycin also inhibits the hepatic microsomal CYP3A4 isoenzyme and P-glycoprotein, an energy-dependent drug efflux pump.","Pharmacodynamics":"Clarithromycin is a macrolide antibiotic whose spectrum of activity includes many gram-positive (\u003ci\u003eStaphylococcus aureus, S. pneumoniae, and S. pyogenes\u003c/i\u003e) and gram-negative aerobic bacteria (\u003ci\u003eHaemophilus influenzae, H. parainfluenzae, and Moraxella catarrhalis\u003c/i\u003e), many anaerobic bacteria, some mycobacteria, and some other organisms including \u003ci\u003eMycoplasma, Ureaplasma, Chlamydia, Toxoplasma\u003c/i\u003e, and \u003ci\u003eBorrelia\u003c/i\u003e. Other aerobic bacteria that clarithromycin has activity against include \u003ci\u003eC. pneumoniae and M. pneumoniae\u003c/i\u003e. Clarithromycin has an in-vitro activity that is similar or greater than that of erythromycin against erythromycin-susceptible organisms. Clarithromycin is usually bacteriostatic, but may be bactericidal depending on the organism and the drug concentration.","Absorption":"Clarithromycin is well-absorbed, acid stable and may be taken with food. ","Interactions":[{"ID":"DB05812"},{"ID":"DB01418"},{"ID":"DB00404"},{"ID":"DB06274"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB01158"},{"ID":"DB01558"},{"ID":"DB00490"},{"ID":"DB06772"},{"ID":"DB00564"},{"ID":"DB00439"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01394"},{"ID":"DB00091"},{"ID":"DB08912"},{"ID":"DB01219"},{"ID":"DB00496"},{"ID":"DB01264"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB04855"},{"ID":"DB00651"},{"ID":"DB00625"},{"ID":"DB00216"},{"ID":"DB00700"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB06414"},{"ID":"DB01590"},{"ID":"DB00472"},{"ID":"DB01320"},{"ID":"DB00317"},{"ID":"DB04946"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB08820"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB00959"},{"ID":"DB00247"},{"ID":"DB00683"},{"ID":"DB01303"},{"ID":"DB06589"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB08901"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01369"},{"ID":"DB00243"},{"ID":"DB08896"},{"ID":"DB00912"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB06335"},{"ID":"DB01104"},{"ID":"DB00203"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB01591"},{"ID":"DB00489"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB01623"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00313"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB06684"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB08828"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00495"},{"ID":"DB00246"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00248","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01211","DB01972","DB02431","DB03685"]}]},{"ID":"DB01212","Name":"Ceftriaxone","DrugType":"small molecule","HalfLife":"5.8-8.7 hours","Description":"A broad-spectrum cephalosporin antibiotic with a very long half-life and high penetrability to meninges, eyes and inner ears. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of the infections (respiratory, skin, soft tissue, UTI, ENT) caused by S. pneumoniae, H. influenzae, staphylococci, S. pyogenes (group A beta-hemolytic streptococci), E. coli, P. mirabilis, Klebsiella sp, coagulase-negative staph","Toxicity":"","MechanismOfAction":"Ceftriaxone works by inhibiting the mucopeptide synthesis in the bacterial cell wall. The beta-lactam moiety of Ceftriaxone binds to carboxypeptidases, endopeptidases, and transpeptidases in the bacterial cytoplasmic membrane. These enzymes are involved in cell-wall synthesis and cell division. By binding to these enzymes, Ceftriaxone results in the formation of of defective cell walls and cell death.","Pharmacodynamics":"Ceftriaxone is a cephalosporin/cephamycin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. Ceftriaxone has \u003ci\u003ein vitro\u003c/i\u003e activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Ceftriaxone results from the inhibition of cell wall synthesis and is mediated through Ceftriaxone binding to penicillin binding proteins (PBPs). Ceftriaxone is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB00479"},{"ID":"DB01125"},{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB00266"},{"ID":"DB00798"},{"ID":"DB01172"},{"ID":"DB00994"},{"ID":"DB00955"},{"ID":"DB01082"},{"ID":"DB00684"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01213","Name":"Fomepizole","DrugType":"small molecule","HalfLife":"The plasma half-life of Antizol varies with dose, even in patients with normal renal function, and has not been calculated.","Description":"Fomepizole is used as an antidote in confirmed or suspected methanol or ethylene glycol poisoning. Fomepizole is a competitive inhibitor of alcohol dehydrogenase, the enzyme that catalyzes the initial steps in the metabolism of ethylene glycol and methanol to their toxic metabolites.","Classification":{"Description":"This compound belongs to the pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.","DirectParent":"Pyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"Antizol is indicated as an antidote for ethylene glycol (such as antifreeze) or methanol poisoning, or for use in suspected ethylene glycol or methanol ingestion, either alone or in combination with hemodialysis","Toxicity":"Headache, nausea, dizziness","MechanismOfAction":"Antizol (fomepizole) is a competitive inhibitor of alcohol dehydrogenase. Alcohol dehydrogenase catalyzes the oxidation of ethanol to acetaldehyde. Alcohol dehydrogenase also catalyzes the initial steps in the metabolism of ethylene glycol and methanol to their toxic metabolites.","Pharmacodynamics":"Fomepizole is a competitive inhibitor of alcohol dehydrogenase, the enzyme that catalyzes the initial steps in the metabolism of ethylene glycol and methanol to their toxic metabolites. Ethylene glycol is first metabolized to glycoaldehyde which then undergoes further oxidation to glycolate, glyoxylate, and oxalate. It is glycolate and oxalate that are primarily responsible for the metabolic acidosis and renal damage that are seen in ethylene glycol poisoning. {01}{03} Methanol is first metabolized to formaldehyde and then undergoes subsequent oxidation via formaldehyde dehydrogenase to become formic acid. It is formic acid that is primarily responsible for the metabolic acidosis and visual disturbances that are associated with methanol poisoning.","Absorption":"Rapid and complete","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01214","Name":"Metipranolol","DrugType":"small molecule","HalfLife":"","Description":"A beta-adrenergic antagonist effective for both beta-1 and beta-2 receptors. It is used as an antiarrhythmic, antihypertensive, and antiglaucoma agent. [PubChem]","Classification":{"Description":"This compound belongs to the phenol esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.","DirectParent":"Phenol Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Esters"},"Indication":"Indicated in the treatment of elevated intraocular pressure in patients with ocular hypertension or open angle glaucoma.","Toxicity":"","MechanismOfAction":"Although it is known that metipranolol binds the beta1 and beta2 adrenergic receptors, the mechanism of metipranolol's action is not known. It has no significant intrinsic sympathomimetic activity, and has only weak local anesthetic (membrane-stabilizing) and myocardial depressant activity. It appears that the ophthalmic beta-adrenergic blocking agents reduce aqueous humor production, as demonstrated by tonography and fluorophotometry. A slight increase in aqueous humor outflow may be an additional mechanism.","Pharmacodynamics":"Metipranolol is a beta1 and beta2 (non-selective) adrenergic receptor-blocking agent that does not have significant intrinsic sympathomimetic, direct myocardial depressant, or local anesthetic (membrane-stabilizing) activity. Metipranolol is indicated in the treatment of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma. Metipranolol, when applied topically to the eye, has the action of reducing elevated, as well as normal, intraocular pressure, whether or not accompanied by glaucoma. Elevated intraocular pressure is a major risk factor in the pathogenesis of glaucomatous visual field loss and optic nerve damage. Metipranolol reduces intraocular pressure with little or no effect on pupil size or accommodation in contrast to the miosis which cholinergic agents are known to produce.","Absorption":"","Interactions":[{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000806","Name":"Metipranolol hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00667","Drugs":["DB01214","DB01345","DB01373"]}]},{"ID":"DB01215","Name":"Estazolam","DrugType":"small molecule","HalfLife":"The range of estimates for the mean elimination half-life of estazolam varies from 10 to 24 hours.","Description":"A benzodiazepine with anticonvulsant, hypnotic, and muscle relaxant properties. It has been shown in some cases to be more potent than diazepam or nitrazepam. [PubChem]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the short-term management of insomnia characterized by difficulty in falling asleep, frequent nocturnal awakenings, and/or early morning awakenings.","Toxicity":"Symptoms of overdose include confusion, depressed breathing, drowsiness and eventually coma, lack of coordination, and slurred speech.","MechanismOfAction":"Benzodiazepines bind nonspecifically to benzodiazepine receptors, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABA\u003csub\u003eA\u003c/sub\u003e) receptors, this enhances the effects GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Pharmacodynamics":"Estazolam, a triazolobenzodiazepine derivative, is an oral hypnotic agent with anticonvulsant, hypnotic, and muscle relaxant properties. It has been shown in some cases to be more potent than diazepam or nitrazepam.","Absorption":"Tablets have been found to be equivalent in absorption to an orally administered solution of estazolam. In healthy subjects who received up to three times the recommended dose, peak estazolam plasma concentrations occurred within two hours after dosing (range 0.5 to 6.0 hours) and were proportional to the administered dose, suggesting linear pharmacokinetics over the dosage range tested.","Interactions":[{"ID":"DB00501"},{"ID":"DB00363"},{"ID":"DB00196"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01322"},{"ID":"DB01026"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01216","Name":"Finasteride","DrugType":"small molecule","HalfLife":"4.5 hours (range 3.3-13.4 hours)","Description":"An orally active testosterone 5-alpha-reductase inhibitor. It is used as a surgical alternative for treatment of benign prostatic hyperplasia. [PubChem]","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"For the treatment of symptomatic benign prostatic hyperplasia (BPH) in men with an enlarged prostate to: Improve symptoms, reduce the risk of acute urinary retention, reduce the risk of the need for surgery including transurethral resection of the prostate. Also used for the stimulation of regrowth of hair in men with mild to moderate androgenetic alopecia (male pattern alopecia, hereditary alopecia, common male baldness).","Toxicity":"","MechanismOfAction":"The mechanism of action of Finasteride is based on its preferential inhibition of Type II 5a-reductase through the formation of a stable complex with the enzyme. Inhibition of Type II 5a-reductase blocks the peripheral conversion of testosterone to DHT, resulting in significant decreases in serum and tissue DHT concentrations, minimal to moderate increase in serum testosterone concentrations, and substantial increases in prostatic testosterone concetrations. As DHT appears to be the principal androgen responsible for stimulation of prostatic growth, a decrease in DHT concentrations will result in a decrease in prostatic volume (approximately 20-30% after 6-24 months of continued therapy). In men with androgenic alopecia, the mechanism of action has not been fully determined, but finasteride has shown to decrease scalp DHT concentration to the levels found in hairy scalp, reduce serum DHT, increase hair regrowth, and slow hair loss.","Pharmacodynamics":"Finasteride is a synthetic 4-azasteroid compound. This drug is a competitive and specific inhibitor of Type II 5a-reductase, an intracellular enzyme that converts the androgen testosterone into 5α-dihydrotestosterone (DHT). Two distinct isozymes are found in mice, rats, monkeys, and humans: Type I and II. Each of these isozymes is differentially expressed in tissues and developmental stages. In humans, Type I 5a-reductase is predominant in the sebaceous glands of most regions of skin, including scalp, and liver. Type I 5a-reductase is responsible for approximately one-third of circulating DHT. The Type II 5a-reductase isozyme is primarily found in prostate, seminal vesicles, epididymides, and hair follicles as well as liver, and is responsible for two-thirds of circulating DHT. Although finasteride is 100-fold more selective for type II 5a-reductase than for the type I isoenzyme, chronic treatment with this drug may have some effect on type I 5a-reductase.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01217","Name":"Anastrozole","DrugType":"small molecule","HalfLife":"50 hours","Description":"Anastrozole is a drug indicated in the treatment of breast cancer in post-menopausal women. It is used both in adjuvant therapy (i.e. following surgery) and in metastatic breast cancer. It decreases the amount of estrogens that the body makes. Anastrozole belongs in the class of drugs known as aromatase inhibitors. It inhibits the enzyme aromatase, which is responsible for converting androgens (produced by women in the adrenal glands) to estrogens.","Classification":{"Description":"This compound belongs to the benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.","DirectParent":"Benzyl Cyanides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyl Cyanides"},"Indication":"For adjuvant treatment of hormone receptor positive breast cancer , as well as hormonal treatment of advanced breast cancer in post-menopausal women. Has also been used to treat pubertal gynecomastia and McCune-Albright syndrome; however, manufacturer states that efficacy for these indications have not been established.","Toxicity":"In rats, lethality is greater than 100 mg/kg.","MechanismOfAction":"Anastrozole selectively inhibits aromatase. The principal source of circulating estrogen (primarily estradiol) is conversion of adrenally-generated androstenedione to estrone by aromatase in peripheral tissues. Therefore, aromatase inhibition leads to a decrease in serum and tumor concentration of estrogen, leading to a decreased tumor mass or delayed progression of tumor growth in some women. Anastrozole has no detectable effect on synthesis of adrenal corticosteroids, aldosterone, and thyroid hormone.","Pharmacodynamics":"Anastrozole is a potent and selective non-steroidal aromatase inhibitor indicated for the treatment of advanced breast cancer in post-menopausal women with disease progression following tamoxifen therapy. Many breast cancers have estrogen receptors and growth of these tumors can be stimulated by estrogens. In post-menopausal women, the principal source of circulating estrogen (primarily estradiol) is conversion of adrenally-generated androstenedione to estrone by aromatase in peripheral tissues, such as adipose tissue, with further conversion of estrone to estradiol. Many breast cancers also contain aromatase; the importance of tumor-generated estrogens is uncertain. Treatment of breast cancer has included efforts to decrease estrogen levels by ovariectomy premenopausally and by use of anti-estrogens and progestational agents both pre- and post-menopausally, and these interventions lead to decreased tumor mass or delayed progression of tumor growth in some women. Anastrozole is a potent and selective non-steroidal aromatase inhibitor. It significantly lowers serum estradiol concentrations and has no detectable effect on formation of adrenal corticosteroids or aldosterone.","Absorption":"Rapidly absorbed into the systemic cirulation following oral administration. Peak plasma concentrations are usually attained within 2 hours under fasting conditions, with steady-state plasma concentrations attained in approximately 7 days.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01218","Name":"Halofantrine","DrugType":"small molecule","HalfLife":"6-10 days","Description":"Halofantrine is a drug used to treat malaria. It belongs to the phenanthrene class of compounds that includes quinine and lumefantrine. It appears to inhibit polymerisation of heme molecules (by the parasite enzyme \"heme polymerase\"), resulting in the parasite being poisoned by its own waste. Halofantrine has been shown to preferentially block open and inactivated HERG channels leading to some degree of cardiotoxicity.","Classification":{"Description":"This compound belongs to the phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.","DirectParent":"Phenanthrenes and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Phenanthrenes and Derivatives","SubClass":""},"Indication":"For treatment of Severe malaria","Toxicity":"Side effects incldue coughing noisy, rattling, troubled breathing, loss of appetite, aches and pain in joints, indigestion,and skin itching or rash.","MechanismOfAction":"The mechanism of action of Halofantrine may be similar to that of chloroquine, quinine, and mefloquine; by forming toxic complexes with ferritoporphyrin IX that damage the membrane of the parasite.","Pharmacodynamics":"Halofantrine is a synthetic antimalarial which acts as a blood schizonticide. It is effective against multi drug resistant (including mefloquine resistant) \u003ci\u003eP. falciparum\u003c/i\u003e malaria.","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB01128"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB06708"},{"ID":"DB00358"},{"ID":"DB00933"},{"ID":"DB01263"},{"ID":"DB01369"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01219","Name":"Dantrolene","DrugType":"small molecule","HalfLife":"The mean biologic half-life after intravenous administration is variable, between 4 to 8 hours under most experimental conditions, while oral is 8.7 hours for a 100mg dose.","Description":"Chemically, dantrolene is a hydantoin derivative, but does not exhibit antiepileptic activity like other hydantoin derivates such as phenytoin.","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"For use, along with appropriate supportive measures, for the management of the fulminant hypermetabolism of skeletal muscle characteristic of malignant hyperthermia crises in patients of all ages. Also used preoperatively, and sometimes postoperatively, to prevent or attenuate the development of clinical and laboratory signs of malignant hyperthermia in individuals judged to be malignant hyperthermia susceptible.","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rats is 7400 mg/kg. Symptoms which may occur in case of overdose include, but are not limited to, muscular weakness and alterations in the state of consciousness (e.g., lethargy, coma), vomiting, diarrhea, and crystalluria.","MechanismOfAction":"Dantrolene depresses excitation-contraction coupling in skeletal muscle by binding to the ryanodine receptor 1, and decreasing intracellular calcium concentration. Ryanodine receptors mediate the release of calcium from the sarcoplasmic reticulum, an essential step in muscle contraction.","Pharmacodynamics":"Dantrolene is classified as a direct-acting skeletal muscle relaxant. It is currently the only specific and effective treatment for malignant hyperthermia. In isolated nerve-muscle preparation, Dantrium has been shown to produce relaxation by affecting the contractile response of the muscle at a site beyond the myoneural junction. In skeletal muscle, Dantrium dissociates excitation-contraction coupling, probably by interfering with the release of Ca\u003csup\u003e2+\u003c/sup\u003e from the sarcoplasmic reticulum. In the anesthetic-induced malignant hyperthermia syndrome, evidence points to an intrinsic abnormality of skeletal muscle tissue. In selected humans, it has been postulated that \u0026ldquo;triggering agents\u0026rdquo; (e.g.,general anesthetics and depolarizing neuromuscular blocking agents) produce a change within the cell which results in an elevated myoplasmic calcium. This elevated myoplasmic calcium activates acute cellular catabolic processes that cascade to the malignant hyperthermia crisis. It is hypothesized that addition of Dantrium to the \u0026ldquo;triggered\u0026rdquo; malignant hyperthermic muscle cell reestablishes a normal level of ionized calcium in the myoplasm.","Absorption":"Bioavailability is 70%.","Interactions":[{"ID":"DB01072"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB01403"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01263"},{"ID":"DB00908"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000397","Name":"Dantrolene Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01220","Name":"Rifaximin","DrugType":"small molecule","HalfLife":"Approximately 6 hours.","Description":"Rifaximin is a semisynthetic, rifamycin-based non-systemic antibiotic, meaning that the drug will not pass the gastrointestinal wall into the circulation as is common for other types of orally administered antibiotics. It is used to treat diarrhea caused by E. coli.","Classification":{"Description":"This compound belongs to the naphthofurans. These are compounds containing a furan ring fused to a naphthalene moeity.","DirectParent":"Naphthofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthofurans","SubClass":""},"Indication":"For the treatment of patients (≥12 years of age) with travelers' diarrhea caused by noninvasive strains of \u003ci\u003eEscherichia coli\u003c/i\u003e. Rifaximin is also designated an orphan drug by the Food and Drug Administration for the adjunctive treatment of hepatic encephalopathy to reduce blood ammonia concentrations and decrease severity of neurological manifestations.","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e \u003e 2 g/kg (orally, in rats)","MechanismOfAction":"Rifaximin acts by inhibiting RNA synthesis in susceptible bacteria by binding to the beta-subunit of bacterial deoxyribonucleic acid (DNA)-dependent ribonucleic acid (RNA) polymerase enzyme. This results in the blockage of the translocation step that normally follows the formation of the first phosphodiester bond, which occurs in the transcription process.","Pharmacodynamics":"Rifaximin is a structural analog of rifampin and a non-systemic, gastrointestinal site-specific antibiotic. This non-systemic property of the drug is due to the addition of a pyridoimidazole ring, which renders it non-absorbable. Rifaximin acts by inhibiting bacterial ribonucleic acid (RNA) synthesis and contributes to restore intestinal microflora imbalance. Other studies have also shown rifaximin to be an pregnane X receptor (PXR) activator. As PXR is responsible for inhibiting the proinflammatory transcription factor NF-kappa B (NF-κB) and is inhibited in inflammatory bowel disease (IBD), rifaximin may prove to be effective for the treatment of IBD.","Absorption":"Low absorption in both the fasting state and when administered within 30 minutes of a high-fat breakfast.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01221","Name":"Ketamine","DrugType":"small molecule","HalfLife":"2.5-3 hours.","Description":"A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (receptors, N-methyl-D-aspartate) and may interact with sigma receptors. [PubChem]","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"For use as the sole anesthetic agent for diagnostic and surgical procedures that do not require skeletal muscle relaxation.","Toxicity":"","MechanismOfAction":"Ketamine has several clinically useful properties, including analgesia and less cardiorespiratory depressant effects than other anaesthetic agents, it also causes some stimulation of the cardiocascular system. Ketamine has been reported to produce general as well as local anaesthesia. It interacts with N-methyl-D-aspartate (NMDA) receptors, opioid receptors, monoaminergic receptors, muscarinic receptors and voltage sensitive Ca ion channels. Unlike other general anaesthetic agents, ketamine does not interact with GABA receptors.","Pharmacodynamics":"Ketamine is a rapid-acting general anesthetic producing an anesthetic state characterized by profound analgesia, normal pharyngeal-laryngeal reflexes, normal or slightly enhanced skeletal muscle tone, cardiovascular and respiratory stimulation, and occasionally a transient and minimal respiratory depression. Ketamine is indicated as the sole anesthetic agent for diagnostic and surgical procedures that do not require skeletal muscle relaxation. The anesthetic state produced by Ketamine has been termed \u0026ldquo;dissociative anesthesia\u0026rdquo; in that it appears to selectively interrupt association pathways of the brain before producing somesthetic sensory blockade. It may selectively depress the thalamoneocortical system before significantly obtunding the more ancient cerebral centers and pathways (reticularactivating and limbic systems).","Absorption":"Rapidly absorbed following parenteral administration.","Interactions":[{"ID":"DB01043"},{"ID":"DB00976"},{"ID":"DB04572"},{"ID":"DB01124"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000396","Name":"Ketamine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01222","Name":"Budesonide","DrugType":"small molecule","HalfLife":"Following IV administration of budesonide, the elimination half-life is 2.0 to 3.6 hours. This value does not differ between healthy adults and patients with Crohn’s disease. ","Description":"Budesonide is a glucocorticoid used in the management of asthma, the treatment of various skin disorders, and allergic rhinitis. [PubChem] The extended release oral tablet, marketed as Uceris, was FDA approved on January 14, 2013 for the management of ulcerative colitis. Budesonide is provided as a mixture of two epimers (22R and 22S). Interestingly, the 22R form is two times more active than the 22S epimer. The two forms do not interconvert. ","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"The oral capsule is used for the treatment of mild to moderate active Crohn's disease. The oral tablet is used for induction of remission in patients with active, mild to moderate ulcerative colitis. The oral inhalation formulation is used for the treatment of asthma, non-infectious rhinitis (including hay fever and other allergies), and for treatment and prevention of nasal polyposis.","Toxicity":"Single oral doses of 200 and 400 mg/kg were lethal in female and male mice, respectively. The signs of acute toxicity were decreased motor activity, piloerection and generalized edema.","MechanismOfAction":"Budesonide is an anti-inflammatory corticosteroid that exhibits potent glucocorticoid activity and weak mineralocorticoid activity. The precise mechanism of corticosteroid actions on inflammation in asthma, Crohn's disease, or ulcerative colitis is not known. Inflammation is an important component in the pathogenesis of asthma. Corticosteroids have been shown to have a wide range of inhibitory activities against multiple cell types (eg, mast cells, eosinophils, neutrophils, macrophages, and lymphocytes) and mediators (eg, histamine, eicosanoids, leukotrienes, and cytokines) involved in allergic and non-allergic-mediated inflammation. These anti-inflammatory actions of corticosteroids may contribute to their efficacy in the aforementioned diseases. Because budesonide undergoes significant first-pass elimination, the both oral preparations are formulated as an extended release tablet. As a result, budesonide release is delyaed until exposure to a pH ≥ 7 in the small intestine. ","Pharmacodynamics":"Budesonide has a high glucocorticoid effect and a weak mineralocorticoid effect. It binds to the glucocorticoid receptor with a higher binding affinity than cortisol and prednisolone. When budesonide is systemically administered, suppression of endogenous cortisol concentrations and an impairment of the hypothalamus-pituitary-adrenal (HPA) axis function has been observed. Furthermore, a decrease in airway reactivity to histamine and other entities has been observed with the inhaled formulation. Generally, the inhaled formulation has a rapid onset action and improvement in asthma control can occur within 24 hours of initiation of treatment. ","Absorption":"Absorption is complete following oral administration. The pharmacokinetic parameters of the inhaled powder formulation are as follows: \r\nTmax = 30 minutes; \r\nAbsolute systemic availability = 39%.\r\nWhen a single oral administration of 9 mg of Uceris are given, the pharmacokinetic parameters are as follows:\r\nTmax = 13.3 ± 5.9 hours;\r\nCmax = 1.35 ± 0.96 ng/mL;\r\nAUC = 16.43 ± 10.52 ng·hr/mL.\r\nIt is important to note that the parameters have a high degree of variability. \r\nWhen a single oral administration of Entocort EC are given, the pharmacokinetic parameters are as follows:\r\nTmax = 3- 600 minutes; \r\nCmax = 5 nmol/L;\r\nAUC = 30 nmol•hr/L. \r\n","Interactions":[{"ID":"DB01128"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01223","Name":"Aminophylline","DrugType":"small molecule","HalfLife":"7-9 hours","Description":"Aminophylline is a drug combination that contains theophylline and ethylenediamine in a 2:1 ratio. Once in the body, theophylline is released and acts as a phosphodiesterase inhibitor, adenosine receptor blocker, and histone deacetylase activator. Similar to other theophyllines, aminophylline is indicated for the treatment of lung diseases such as asthma, chronic bronchitis, and COPD. The majority of aminophylline medications are discontinued and the remaining medications on the market are in short supply.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of bronchospasm due to asthma, emphysema and chronic bronchitis.","Toxicity":"","MechanismOfAction":"Aminophylline is the ethylenediamine salt of theophylline. After ingestion, theophylline is released from aminophylline, and theophylline relaxes the smooth muscle of the bronchial airways and pulmonary blood vessels and reduces airway responsiveness to histamine, methacholine, adenosine, and allergen. Theophylline competitively inhibits type III and type IV phosphodiesterase (PDE), the enzyme responsible for breaking down cyclic AMP in smooth muscle cells, possibly resulting in bronchodilation. Theophylline also binds to the adenosine A2B receptor and blocks adenosine mediated bronchoconstriction. In inflammatory states, theophylline activates histone deacetylase to prevent transcription of inflammatory genes that require the acetylation of histones for transcription to begin.","Pharmacodynamics":"Aminophylline is the ethylenediamine salt of theophylline. Theophylline stimulates the CNS, skeletal muscles, and cardiac muscle. It relaxes certain smooth muscles in the bronchi, produces diuresis, and causes an increase in gastric secretion.","Absorption":"","Interactions":[{"ID":"DB00787"},{"ID":"DB00640"},{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00732"},{"ID":"DB01558"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB00521"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB01211"},{"ID":"DB01341"},{"ID":"DB00822"},{"ID":"DB01135"},{"ID":"DB00467"},{"ID":"DB00199"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB00176"},{"ID":"DB01320"},{"ID":"DB00365"},{"ID":"DB01159"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00034"},{"ID":"DB00105"},{"ID":"DB00011"},{"ID":"DB00951"},{"ID":"DB01321"},{"ID":"DB01356"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB01336"},{"ID":"DB00379"},{"ID":"DB01226"},{"ID":"DB01203"},{"ID":"DB01059"},{"ID":"DB01337"},{"ID":"DB00487"},{"ID":"DB00008"},{"ID":"DB00022"},{"ID":"DB01359"},{"ID":"DB00312"},{"ID":"DB00806"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00960"},{"ID":"DB00794"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB01346"},{"ID":"DB06213"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00533"},{"ID":"DB00418"},{"ID":"DB00489"},{"ID":"DB01323"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00231"},{"ID":"DB00857"},{"ID":"DB00730"},{"ID":"DB00208"},{"ID":"DB00373"},{"ID":"DB01361"},{"ID":"DB01199"},{"ID":"DB01339"},{"ID":"DB00661"},{"ID":"DB00549"},{"ID":"DB00744"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01224","Name":"Quetiapine","DrugType":"small molecule","HalfLife":"6 hours","Description":"Quetiapine is indicated for the treatment of schizophrenia as well as for the treatment of acute manic episodes associated with bipolar I disorder. The antipsychotic effect of quetiapine is thought by some to be mediated through antagonist activity at dopamine and serotonin receptors. Specifically the D1 and D2 dopamine, the alpha 1 adrenoreceptor and alpha 2 adrenoreceptor, and 5-HT1A and 5-HT2 serotonin receptor subtypes are antagonized. Quetiapine also has an antagonistic effect on the histamine H1 receptor.","Classification":{"Description":"This compound belongs to the dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring.","DirectParent":"Dibenzothiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazepines","SubClass":"Dibenzothiazepines"},"Indication":"For the treatment of schizophrenia and related psychotic disorders.","Toxicity":"Symptoms of overdose include drowsiness and sedation, tachycardia, and hypotension.","MechanismOfAction":"Quetiapine's antipsychotic activity is likely due to a combination of antagonism at D2 receptors in the mesolimbic pathway and 5HT2A receptors in the frontal cortex. Antagonism at D2 receptors relieves positive symptoms while antagonism at 5HT2A receptors relieves negative symptoms of schizophrenia.","Pharmacodynamics":"Quetiapine is a psychotropic agent belonging to the chemical class of benzisoxazole derivatives and is indicated for the treatment of schizophrenia. Quetiapine is a selective monoaminergic antagonist with high affinity for the serotonin Type 2 (5HT\u003csub\u003e2\u003c/sub\u003e), and dopamine type 2 (D2) receptors. Quetiapine is an antagonist at serotonin 5-HT\u003csub\u003e1A\u003c/sub\u003e and 5HT\u003csub\u003e2\u003c/sub\u003e, dopamine D1 and D2, histamine H1, and adrenergic alpha 1 and alpha 2 receptors. Quetiapine has no significant affinity for cholinergic muscarinic or benzodiazepine receptors. Drowsiness and orthostatic hypotension associated with use of quetiapine may be explained by its antagonism of histamine H1 and adrenergic alpha 1 receptors, respectively. Quetiapine's antagonism of adrenergic a1 receptors may explain the orthostatic hypotension observed with this drug.","Absorption":"Rapidly and well absorbed.","Interactions":[{"ID":"DB06697"},{"ID":"DB01211"},{"ID":"DB00843"},{"ID":"DB00199"},{"ID":"DB00754"},{"ID":"DB06414"},{"ID":"DB01320"},{"ID":"DB00674"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB00532"},{"ID":"DB00252"},{"ID":"DB01369"},{"ID":"DB00989"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB04844"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01225","Name":"Enoxaparin","DrugType":"small molecule","HalfLife":"4.5 hours","Description":"Enoxaparin is a low molecular weight heparin. Enoxaparin is used to prevent and treat deep vein thrombosis or pulmonary embolism, and is given as a subcutaneous injection. Enoxaparin binds to and accelerates the activity of antithrombin III. By activating antithrombin III, enoxaparin preferentially potentiates the inhibition of coagulation factors Xa and IIa. Factor Xa catalyzes the conversion of prothrombin to thrombin, so enoxaparin's inhibition of this process results in decreased thrombin and ultimately the prevention of fibrin clot formation. Low molecular weight heparins are less effective at inactivating factor IIa due to their shorter length compared to unfractionated heparin.","Classification":{"Description":"This compound belongs to the tetrahexoses. These are tetrasaccharides containing four hexose carbohydrates.","DirectParent":"Tetrahexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Tetrasaccharides"},"Indication":"For the prophylaxis of deep vein thrombosis, which may lead to pulmonary embolism, and also for the prophylaxis of ischemic complications of unstable angina and non-Q-wave myocardial infarction, when concurrently administered with aspirin.","Toxicity":"Mouse, median lethal dose greater than 5000 mg/kg. Another side effect is heparin induced thrombocytopenia (HIT syndrome). HIT is caused by an immunological reaction that makes platelets form clots within the blood vessels, thereby using up coagulation factors.","MechanismOfAction":"The mechanism of action of enoxaparin is antithrombin-dependent. It acts mainly by accelerating the rate of the neutralization of certain activated coagulation factors by antithrombin, but other mechanisms may also be involved. The antithrombotic effect of enoxaparin is well correlated to the inhibition of factor Xa. Enoxaparin interacts with Antithrombin III, Prothrombin and Factor X. Enoxaparin binds to and accelerates the activity of antithrombin III. By activating antithrombin III, enoxaparin preferentially potentiates the inhibition of coagulation factors Xa and IIa.","Pharmacodynamics":"Enoxaparin is a highly acidic mucopolysaccharide formed of equal parts of sulfated D-glucosamine and D-glucuronic acid with sulfaminic bridges. The molecular weight ranges from 3800 to 5000 daltons. Enoxaparin occurs in and is obtained from liver, lung, mast cells, etc., of vertebrates. Enoxaparin is a well known and commonly used anticoagulant which has antithrombotic properties. Enoxaparin inhibits reactions that lead to the clotting of blood and the formation of fibrin clots both in vitro and in vivo. Enoxaparin acts at multiple sites in the normal coagulation system. Small amounts of enoxaparin in combination with antithrombin III (enoxaparin cofactor) can inhibit thrombosis by inactivating activated Factor X and inhibiting the conversion of prothrombin to thrombin. Once active thrombosis has developed, larger amounts of enoxaparin can inhibit further coagulation by inactivating thrombin and preventing the conversion of fibrinogen to fibrin. Enoxaparin also prevents the formation of a stable fibrin clot by inhibiting the activation of the fibrin stabilizing factor. Its use should be avoided in patients with a creatinine clearance less than 20mL/min. In these patients, unfractionated heparin should only be used. As for monitoring, active partial thromboplastin time (aPTT) will only increase at high doses of low molecular weight heparins (LMWH). Therefore, monitoring aPTT is not recommended. However, anti-Xa activity can be measured to monitor the efficacy of the LMWH. ","Absorption":"Mean absolute bioavailability of enoxaparin, after 1.5 mg/kg given subcutaneously, based on anti-Factor Xa activity is approximately 100% in healthy volunteers.","Interactions":[{"ID":"DB06605"},{"ID":"DB00055"},{"ID":"DB01381"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00272","Drugs":["DB01225","DB01373"]}]},{"ID":"DB01226","Name":"Mivacurium","DrugType":"small molecule","HalfLife":"The mean elimination half-life ranges from 1.7 to 2.6 minutes in healthy, young adults administered 0.1 to 0.25 mg/kg mivacurium. In 9 patients with end-stage liver disease undergoing liver transplant surgery, plasma clearance was approximately 50% lower than that in 8 control patients with normal hepatic function, while the elimination half-life increased to 4.4 minutes from the 1.8 minute control value.","Description":"Mivacurium is a bisbenzylisoquinolinium based neuromuscular blocker or muscle relaxant. It binds competitively to cholinergic receptors on the motor end-plate to antagonize the action of acetylcholine, resulting in a block of neuromuscular transmission.","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"For inpatients and outpatients, as an adjunct to general anesthesia, to facilitate tracheal intubation and to provide skeletal muscle relaxation during surgery or mechanical ventilation.","Toxicity":"Overdosage with neuromuscular blocking agents may result in neuromuscular block beyond the time needed for surgery and anesthesia.","MechanismOfAction":"Mivacurium binds competitively to cholinergic receptors on the motor end-plate to antagonize the action of acetylcholine, resulting in a block of neuromuscular transmission. This action is antagonized by acetylcholinesterase inhibitors, such as neostigmine.","Pharmacodynamics":"Mivacurium is a short-acting, nondepolarizing skeletal neuromuscular blocking agent which is hydrolyzed by plasma cholinesterase. Mivacurium results in a blockade of neuromuscular transmission by binding competitively with cholinergic receptors on the motor end-plate to antagonize the action of acetylcholine. The neuromuscular block produced by mivacurium is readily antagonized by anticholinesterase agents. The deeper the level of neuromuscular block at reversal, the longer the time required for recovery of neuromuscular function and the greater the dose of anticholinesterase agent required. Because spontaneous recovery after mivacurium is rapid, routine reversal may not always result in a clinical benefit.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB01223"},{"ID":"DB00993"},{"ID":"DB00564"},{"ID":"DB01190"},{"ID":"DB01320"},{"ID":"DB00798"},{"ID":"DB01627"},{"ID":"DB01033"},{"ID":"DB00955"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB00277"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01227","Name":"Levomethadyl Acetate","DrugType":"small molecule","HalfLife":"2.6 days","Description":"A narcotic analgesic with a long onset and duration of action. It is used mainly in the treatment of narcotic dependence. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment and management of opiate dependence. It is sometimes used to treat severe pain in terminal patients.","Toxicity":"Signs of overdose include apnea, circulatory collapse, pulmonary edema, cardiac arrest, and death.","MechanismOfAction":"Opiate receptors (Mu, Kappa, Delta) are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Levomethadyl acetate effectively opens calcium-dependent inwardly rectifying potassium channels (OP1 receptor agonist), resulting in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Levomethadyl acetate (also known as LAAM) is a synthetic synthetic opioid analgesic with multiple actions quantitatively similar to those as morphine, the most prominent of which involve the central nervous system and organs composed of smooth muscle. However, levomethadyl acetate is more active and more toxic than morphine. The principal actions of therapeutic value are analgesia and sedation and detoxification or temporary maintenance in narcotic addiction. In this respect, the drug is similar to Methadone and also has structural similarities to it. The levomethadyl acetate abstinence syndrome, although qualitatively similar to that of morphine, differs in that the onset is slower, the course is more prolonged, and the symptoms are less severe.","Absorption":"Levomethadyl acetate is rapidly absorbed from an oral solution.","Interactions":[{"ID":"DB06274"},{"ID":"DB01167"},{"ID":"DB01369"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00638","Drugs":["DB01227"]},{"ID":"SMP00677","Drugs":["DB00368","DB00988","DB01227","DB01345","DB01373"]}]},{"ID":"DB01228","Name":"Encainide","DrugType":"small molecule","HalfLife":"1-2 hours","Description":"All drug products containing encainide hydrochloride. Encainide hydrochloride, formerly marketed as Enkaid capsules, was associated with increased death rates in patients who had asymptomatic heart rhythm abnormalities after a recent heart attack. The manufacturer of Enkaid capsules voluntarily withdrew the product from the US market on December 16, 1991.","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Encainide is a class Ic antiarrhythmic agent which was used for management of irregular heartbeats, such as atrial fibrillation, atrial flutter, ventricular tachycardia, and ventricular fibrillation. ","Toxicity":"","MechanismOfAction":"Encainide is a sodium channel blocker, binding to voltage gated sodium channels. It stabilizes the neuronal membrane by inhibiting the ionic fluxes required for the initiation and conduction of impulses. Ventricular excitability is depressed and the stimulation threshold of the ventricle is increased during diastole.","Pharmacodynamics":"Used to treat irregular heartbeats, encainide decreases excitability, conduction velocity, and automaticity as a result of slowed atrial, atrioventricular (AV) nodal, His-Purkinje, and intraventricular conduction. It causes a slight but significant prolongation of refractory periods in these tissues. The greatest effect is on the His-Purkinje system. Encainide decreases the rate of rise of the action potential without markedly affecting its duration.","Absorption":"","Interactions":[{"ID":"DB00604"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB01229","Name":"Paclitaxel","DrugType":"small molecule","HalfLife":"When a 24 hour infusion of 135 mg/m^2 is given to ovarian cancer patients, the elimination half=life is 52.7 hours. ","Description":"Paclitaxel is a mitotic inhibitor used in cancer chemotherapy. It was discovered in a US National Cancer Institute program at the Research Triangle Institute in 1967 when Monroe E. Wall and Mansukh C. Wani isolated it from the bark of the Pacific yew tree, Taxus brevifolia and named it taxol. Later it was discovered that endophytic fungi in the bark synthesize paclitaxel.\r\nWhen it was developed commercially by Bristol-Myers Squibb (BMS), the generic name was changed to paclitaxel and the BMS compound is sold under the trademark Taxol. In this formulation, paclitaxel is dissolved in Kolliphor EL and ethanol, as a delivery agent. A newer formulation, in which paclitaxel is bound to albumin, is sold under the trademark Abraxane. [Wikipedia]","Classification":{"Description":"This compound belongs to the taxanes and 11(15-\u003e1)abeotaxanes. These are diterpenes whose structure is based on the taxane or 11(15-\u003e1)abeaotaxane skeleton, which is characterized by a 6-8-6 tricyclic ring system.","DirectParent":"Taxanes and 11(15-\u003e1)Abeotaxanes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"Used in the treatment of Kaposi's sarcoma and cancer of the lung, ovarian, and breast. Abraxane® is specfically indicated for the treatment of metastatic breast cancer and locally advanced or metastatic non-small cell lung cancer.","Toxicity":"Rat (ipr) LD\u003csub\u003e50\u003c/sub\u003e=32530 \u0026micro;g/kg. Symptoms of overdose include bone marrow suppression, peripheral neurotoxicity, and mucositis. Overdoses in pediatric patients may be associated with acute ethanol toxicity.","MechanismOfAction":"Paclitaxel interferes with the normal function of microtubule growth. Whereas drugs like colchicine cause the depolymerization of microtubules in vivo, paclitaxel arrests their function by having the opposite effect; it hyper-stabilizes their structure. This destroys the cell's ability to use its cytoskeleton in a flexible manner. Specifically, paclitaxel binds to the \u0026beta; subunit of tubulin. Tubulin is the \"building block\" of mictotubules, and the binding of paclitaxel locks these building blocks in place. The resulting microtubule/paclitaxel complex does not have the ability to disassemble. This adversely affects cell function because the shortening and lengthening of microtubules (termed dynamic instability) is necessary for their function as a transportation highway for the cell. Chromosomes, for example, rely upon this property of microtubules during mitosis. Further research has indicated that paclitaxel induces programmed cell death (apoptosis) in cancer cells by binding to an apoptosis stopping protein called Bcl-2 (B-cell leukemia 2) and thus arresting its function.","Pharmacodynamics":"Paclitaxel is a taxoid antineoplastic agent indicated as first-line and subsequent therapy for the treatment of advanced carcinoma of the ovary, and other various cancers including breast cancer. Paclitaxel is a novel antimicrotubule agent that promotes the assembly of microtubules from tubulin dimers and stabilizes microtubules by preventing depolymerization. This stability results in the inhibition of the normal dynamic reorganization of the microtubule network that is essential for vital interphase and mitotic cellular functions. In addition, paclitaxel induces abnormal arrays or \"bundles\" of microtubules throughout the cell cycle and multiple asters of microtubules during mitosis.","Absorption":"When a 24 hour infusion of 135 mg/m^2 is given to ovarian cancer patients, the maximum plasma concentration (Cmax) is 195 ng/mL, while the AUC is 6300 ng•h/mL. ","Interactions":[{"ID":"DB00673"},{"ID":"DB06626"},{"ID":"DB00958"},{"ID":"DB00515"},{"ID":"DB00363"},{"ID":"DB00872"},{"ID":"DB06414"},{"ID":"DB00441"},{"ID":"DB00108"},{"ID":"DB06589"},{"ID":"DB00337"},{"ID":"DB01369"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB01124"},{"ID":"DB00072"},{"ID":"DB00385"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00434","Drugs":["DB01229"]}]},{"ID":"DB01230","Name":"Pemoline","DrugType":"small molecule","HalfLife":"The serum half-life of pemoline is approximately 12 hours.","Description":"In 2005, the Food and Drug Administration (FDA) withdrew approval for pemoline. In March 2005, Abbott Laboratories (Cylert marketer) had discontinued the production of Cylert arguing economic reasons.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For treatment of Attention Deficit Hyperactivity Disorder (ADHD)","Toxicity":"Side effects include insomnia, anorexia, stomach ache, skin rashes, increased irritability, mild depression, nausea, dizziness, headache, drowsiness, and hallucinations","MechanismOfAction":"","Pharmacodynamics":"Pemoline belongs to the group of medicines called central nervous system (CNS) stimulants. It is used to treat attention deficit hyperactivity disorder (ADHD). Pemoline stimulates the brain, probably by affecting neurotransmitters, the chemicals in the brain that nerves use to communicate with each other.","Absorption":"Pemoline is rapidly absorbed from the gastrointestinal tract","Interactions":null,"Salts":null,"Groups":{"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB01231","Name":"Diphenidol","DrugType":"small molecule","HalfLife":"4 hours","Description":"Diphenidol is an antiemetic agent used in the treatment of vomiting and vertigo. Diphenidol overdose may result in serious toxicity in children.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For use in the prevention and symptomatic treatment of peripheral (labyrinthine) vertigo and associated nausea and vomiting that occur in such conditions as Meniere's disease and surgery of the middle and inner ear. Also for the control of nausea and vomiting associated with postoperative states, malignant neoplasms, labyrinthine disturbances, antineoplastic agent therapy, radiation sickness, and infectious diseases.","Toxicity":"Symptoms of overdose include drowsiness (severe); shortness of breath or troubled breathing; unusual tiredness or weakness (severe).","MechanismOfAction":"The mechanism by which diphenidol exerts its antiemetic and antivertigo effects is not precisely known. It is thought to diminish vestibular stimulation and depress labyrinthine function and as an antimuscarinic agent. An action on the medullary chemoreceptive trigger zone may also be involved in the antiemetic effect. Diphenidol has no significant sedative, tranquilizing, or antihistaminic action. It has a weak peripheral anticholinergic effect.","Pharmacodynamics":"Diphenidol is used for control of nausea and vomiting. It has an antivertigo effect on the vestibular apparatus, inhibiting the chemoreceptor trigger zone to control nausea and vomiting, thus preventing motion sickness.","Absorption":"Well absorbed from gastrointestinal tract following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000395","Name":"Diphenidol Hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB01232","Name":"Saquinavir","DrugType":"small molecule","HalfLife":"","Description":"An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases. [PubChem]","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of HIV-1 with advanced immunodeficiency together with antiretroviral nucleoside analogues.","Toxicity":"Probably experience pain in the throat","MechanismOfAction":"Saquinavir inhibits the HIV viral proteinase enzyme which prevents cleavage of the gag-pol polyprotein, resulting in noninfectious, immature viral particles.","Pharmacodynamics":"Saquinavir is a protease inhibitor with activity against Human Immunodeficiency Virus Type 1 (HIV-1). Protease inhibitors block the part of HIV called protease. HIV-1 protease is an enzyme required for the proteolytic cleavage of the viral polyprotein precursors into the individual functional proteins found in infectious HIV-1. Saquinavir binds to the protease active site and inhibits the activity of the enzyme. This inhibition prevents cleavage of the viral polyproteins resulting in the formation of immature non-infectious viral particles. Protease inhibitors are almost always used in combination with at least two other anti-HIV drugs.","Absorption":"Absolute bioavailability averages 4%","Interactions":[{"ID":"DB01048"},{"ID":"DB05812"},{"ID":"DB00404"},{"ID":"DB01118"},{"ID":"DB06697"},{"ID":"DB06216"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB01558"},{"ID":"DB06772"},{"ID":"DB00475"},{"ID":"DB00604"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB00829"},{"ID":"DB00320"},{"ID":"DB00625"},{"ID":"DB00700"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB01215"},{"ID":"DB06414"},{"ID":"DB00813"},{"ID":"DB00690"},{"ID":"DB02703"},{"ID":"DB00224"},{"ID":"DB01026"},{"ID":"DB00227"},{"ID":"DB00683"},{"ID":"DB00238"},{"ID":"DB06589"},{"ID":"DB01100"},{"ID":"DB08901"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB01030"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB08881"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01233","Name":"Metoclopramide","DrugType":"small molecule","HalfLife":"5-6 hr","Description":"A dopamine D2 antagonist that is used as an antiemetic. [PubChem]","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the treatment of gastroesophageal reflux disease (GERD). It is also used in treating nausea and vomiting, and to increase gastric emptying.","Toxicity":"Oral, mouse LD\u003csub\u003e50\u003c/sub\u003e: 280 mg/kg. Signs of overdose include drowsiness, disorientation, and extrapyramidal reactions.","MechanismOfAction":"Metoclopramide inhibits gastric smooth muscle relaxation produced by dopamine, therefore increasing cholinergic response of the gastrointestinal smooth muscle. It accelerates intestinal transit and gastric emptying by preventing relaxation of gastric body and increasing the phasic activity of antrum. Simultaneously, this action is accompanied by relaxation of the upper small intestine, resulting in an improved coordination between the body and antrum of the stomach and the upper small intestine. Metoclopramide also decreases reflux into the esophagus by increasing the resting pressure of the lower esophageal sphincter and improves acid clearance from the esophagus by increasing amplitude of esophageal peristaltic contractions. Metoclopramide's dopamine antagonist action raises the threshold of activity in the chemoreceptor trigger zone and decreases the input from afferent visceral nerves. Studies have also shown that high doses of metoclopramide can antagonize 5-hydroxytryptamine (5-HT) receptors in the peripheral nervous system in animals.","Pharmacodynamics":"Metoclopramide, although chemically related to procainamide, does not possess local anesthetic or antiarrhythmic properties. Metoclopramide is used to enhance GI motility, to treat diabetic gastroparesis, as an antinauseant, and to facilitate intubation of the small bowel during radiologic examination. Metoclopramide may be used to treat chemotherapy-induced emesis and as a radiosensitizing agents in the treatment of non-small cell lung carcinoma and glioblastomas in the future.","Absorption":"Rapidly and well absorbed (oral bioavailability 80\u0026plusmn;15.5%).","Interactions":[{"ID":"DB00091"},{"ID":"DB01235"},{"ID":"DB08815"},{"ID":"DB01267"},{"ID":"DB00864"},{"ID":"DB04844"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000393","Name":"Metoclopramide Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01234","Name":"Dexamethasone","DrugType":"small molecule","HalfLife":"36-54 hours","Description":"An anti-inflammatory 9-fluoro-glucocorticoid. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"\u003cB\u003eInjection:\u003c/B\u003e for the treatment of endocrine disorders, rheumatic D=disorders, collagen diseases, dermatologic diseases, allergic statesc, ophthalmic diseases, gastrointestinal diseases, respiratory diseases, hematologic disorders, neoplastic diseases, edematous states, cerebral edema.\r\n\u003cbr\u003e\u003cB\u003eOphthalmic ointment and solution:\u003c/B\u003e for the treatment of steroid responsive inflammatory conditions of the palpebral and bulbar conjunctiva, cornea, and anterior segment of the globe.\r\n\u003cbr\u003e\u003cB\u003eOphthalmic solution only:\u003c/B\u003e for the treatment of steroid responsive inflammatory conditions of the external auditory meatus\r\n\u003cbr\u003e\u003cB\u003eTopic cream:\u003c/B\u003e for relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses\r\n\u003cbr\u003e\u003cB\u003eOral aerosol:\u003c/B\u003e for the treatment of bronchial asthma and related corticosteroid responsive bronchospastic states intractable to adequate trial of conventional therapy\r\n\u003cbr\u003e\u003cB\u003eIntranasal aerosol:\u003c/B\u003e for the treatment of allergic ot inflammatory nasal conditions, and nasal polyps","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: \u003e3 gm/kg. Signs of overdose include retinal toxicity, glaucoma, subcapsular cataract, gastrointestinal bleeding, pancreatitis, aseptic bone necrosis, osteoporosis, myopathies, obesity, edemas, hypertension, proteinuria, diabetes, sleep disturbances, psychiatric syndromes, delayed wound healing, atrophy and fragility of the skin, ecchymosis, and pseudotumor cerebri.","MechanismOfAction":"Dexamethasone is a glucocorticoid agonist. Unbound dexamethasone crosses cell membranes and binds with high affinity to specific cytoplasmic glucocorticoid receptors. This complex binds to DNA elements (glucocorticoid response elements) which results in a modification of transcription and, hence, protein synthesis in order to achieve inhibition of leukocyte infiltration at the site of inflammation, interference in the function of mediators of inflammatory response, suppression of humoral immune responses, and reduction in edema or scar tissue. The antiinflammatory actions of dexamethasone are thought to involve phospholipase A\u003csub\u003e2\u003c/sub\u003e inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes.","Pharmacodynamics":"Dexamethasone and its derivatives, dexamethasone sodium phosphate and dexamethasone acetate, are synthetic glucocorticoids. Used for its antiinflammatory or immunosuppressive properties and ability to penetrate the CNS, dexamethasone is used alone to manage cerebral edema and with tobramycin to treat corticosteroid-responsive inflammatory ocular conditions.","Absorption":"80-90%","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB01122"},{"ID":"DB00357"},{"ID":"DB01351"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB01352"},{"ID":"DB08886"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB06695"},{"ID":"DB00266"},{"ID":"DB01341"},{"ID":"DB01010"},{"ID":"DB08866"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00619"},{"ID":"DB08815"},{"ID":"DB01397"},{"ID":"DB00532"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB00211"},{"ID":"DB01400"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB01346"},{"ID":"DB01045"},{"ID":"DB08864"},{"ID":"DB01656"},{"ID":"DB01399"},{"ID":"DB00418"},{"ID":"DB01268"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB01041"},{"ID":"DB00193"},{"ID":"DB00072"},{"ID":"DB00656"},{"ID":"DB05294"},{"ID":"DB01339"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000383","Name":"Dexamethasone acetate"},{"ID":"DBSALT000843","Name":"Dexamethasone sodium phosphate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01235","Name":"L-DOPA","DrugType":"small molecule","HalfLife":"50 to 90 minutes","Description":"The naturally occurring form of dihydroxyphenylalanine and the immediate precursor of dopamine. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to dopamine. It is used for the treatment of parkinsonian disorders and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system. [PubChem]","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the treatment of idiopathic Parkinson's disease (Paralysis Agitans), postencephalitic parkinsonism, symptomatic parkinsonism which may follow injury to the nervous system by carbon monoxide intoxication, and manganese intoxication.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 2363 mg/kg; Oral, rabbit: LD\u003csub\u003e50\u003c/sub\u003e = 609 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 1780 mg/kg.","MechanismOfAction":"Striatal dopamine levels in symptomatic Parkinson's disease are decreased by 60 to 80%, striatal dopaminergic neurotransmission may be enhanced by exogenous supplementation of dopamine through administration of dopamine's precursor, levodopa. A small percentage of each levodopa dose crosses the blood-brain barrier and is decarboxylated to dopamine. This newly formed dopamine then is available to stimulate dopaminergic receptors, thus compensating for the depleted supply of endogenous dopamine.","Pharmacodynamics":"Levodopa (L-dopa) is used to replace dopamine lost in Parkinson's disease because dopamine itself cannot cross the blood-brain barrier where its precursor can. However, L-DOPA is converted to dopamine in the periphery as well as in the CNS, so it is administered with a peripheral DDC (dopamine decarboxylase) inhibitor such as carbidopa, without which 90% is metabolised in the gut wall, and with a COMT inhibitor if possible; this prevents about a 5% loss. The form given therapeutically is therefore a prodrug which avoids decarboxylation in the stomach and periphery, can cross the blood-brain barrier, and once in the brain is converted to the neurotransmitter dopamine by the enzyme aromatic-L-amino-acid decarboxylase.","Absorption":"Levodopa is rapidly absorbed from the proximal small intestine by the large neutral amino acid (LNAA) transport carrier system.","Interactions":[{"ID":"DB01320"},{"ID":"DB00893"},{"ID":"DB01247"},{"ID":"DB00968"},{"ID":"DB01233"},{"ID":"DB01267"},{"ID":"DB00780"},{"ID":"DB00252"},{"ID":"DB04844"},{"ID":"DB01623"},{"ID":"DB00752"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00170","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00012","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00497","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB01236","Name":"Sevoflurane","DrugType":"small molecule","HalfLife":"15-23 hours","Description":"Sevoflurane (2,2,2-trifluoro-1-[trifluoromethyl]ethyl fluoromethyl ether), also called fluoromethyl, is a sweet-smelling, non-flammable, highly fluorinated methyl isopropyl ether used for induction and maintenance of general anesthesia. Together with desflurane, it is replacing isoflurane and halothane in modern anesthesiology. [Wikipedia]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Used for induction and maintenance of general anesthesia in adult and pediatric patients for inpatient and outpatient surgery.","Toxicity":"LC\u003csub\u003e50\u003c/sub\u003e=49881 ppm/hr (rat), LD\u003csub\u003e50\u003c/sub\u003e=10.8 g/kg (rat)","MechanismOfAction":"Sevoflurane induces a reduction in junctional conductance by decreasing gap junction channel opening times and increasing gap junction channel closing times. Sevoflurane also activates calcium dependent ATPase in the sarcoplasmic reticulum by increasing the fluidity of the lipid membrane. It also appears to bind the D subunit of ATP synthase and NADH dehydogenase and also binds to the GABA receptor, the large conductance Ca\u003csup\u003e2+\u003c/sup\u003e activated potassium channel, the glutamate receptor, and the glycine receptor.","Pharmacodynamics":"Sevoflurane (also called fluoromethyl) is a halogenated ether used for induction and maintenance of general anesthesia. Together with desflurane, it is replacing isoflurane and halothane in modern anesthesiology. It is often administered in nitrous oxide and pure oxygen. After desflurane it is the volatile anesthetic with the fastest onset and offset. It induces muscle relaxation and reduces pains sensitivity by altering tissue excitability. It does so by decreasing the extent of gap junction mediated cell-cell coupling and altering the activity of the channels that underlie the action potential.","Absorption":"Rapidly absorbed into circulation via the lungs, however solubility in the blood is low.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01237","Name":"Bromodiphenhydramine","DrugType":"small molecule","HalfLife":"1 to 4 hours","Description":"Bromodiphenhydramine is an ethanolamine antihistamine with antimicrobial property. Bromodiphenhydramine is used in the control of cutaneous allergies. Ethanolamine antihistamines produce marked sedation in most patients","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For management of symptoms related to hay fever and other types of allergy and used to help bring up phlegm, thin secretions, and make a cough productive.","Toxicity":"Signs of overdose include wheezing, tightness in the chest, fever, itching, bad cough, blue skin color, fits, swelling of face, lips, tongue, or throat.","MechanismOfAction":"Bromodiphenhydramine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding.","Pharmacodynamics":"Bromodiphenhydramine is an antihistamine of the ethanolamine class. Ethanolamine antihistamines have significant antimuscarinic activity and produce marked sedation in most patients. In addition to the usual allergic symptoms, the drug also treats irritant cough and nausea, vomiting, and vertigo associated with motion sickness. It also is used commonly to treat drug-induced extrapyramidal symptoms as well as to treat mild cases of Parkinson's disease. Rather than preventing the release of histamine, as do cromolyn and nedocromil, Bromodiphenhydramine competes with free histamine for binding at HA-receptor sites. Bromodiphenhydramine competitively antagonizes the effects of histamine on HA-receptors in the GI tract, uterus, large blood vessels, and bronchial muscle. Ethanolamine derivatives have greater anticholinergic activity than do other antihistamines, which probably accounts for the antidyskinetic action of Bromodiphenhydramine. This anticholinergic action appears to be due to a central antimuscarinic effect, which also may be responsible for its antiemetic effects, although the exact mechanism is unknown.","Absorption":"Well absorbed in the digestive tract.","Interactions":[{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000791","Name":"Bromazine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01238","Name":"Aripiprazole","DrugType":"small molecule","HalfLife":"75-146 hours","Description":"Aripiprazole is an atypical antipsychotic medication used for the treatment of schizophrenia. It has also recently received FDA approval for the treatment of acute manic and mixed episodes associated with bipolar disorder. Aripiprazole appears to mediate its antipsychotic effects primarily by partial agonism at the D2 receptor. In addition to partial agonist activity at the D2 receptor, aripiprazole is also a partial agonist at the 5-HT1A receptor, and like the other atypical antipsychotics, aripiprazole displays an antagonist profile at the 5-HT2A receptor. Aripiprazole has moderate affinity for histamine and alpha adrenergic receptors, and no appreciable affinity for cholinergic muscarinic receptors.","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"For the treatment of schizophrenia and related psychotic disorders.","Toxicity":"","MechanismOfAction":"Aripiprazole's antipsychotic activity is likely due to a combination of antagonism at D2 receptors in the mesolimbic pathway and 5HT2A receptors in the frontal cortex. Antagonism at D2 receptors relieves positive symptoms while antagonism at 5HT2A receptors relieves negative symptoms of schizophrenia.","Pharmacodynamics":"Aripiprazole is a psychotropic agent belonging to the chemical class of benzisoxazole derivatives and is indicated for the treatment of schizophrenia. Aripiprazole is a selective monoaminergic antagonist with high affinity for the serotonin Type 2 (5HT2), dopamine Type 2 (D2), 1 and 2 adrenergic, and H1 histaminergic receptors. Aripiprazole acts as an antagonist at other receptors, but with lower potency. Antagonism at receptors other than dopamine and 5HT2 with similar receptor affinities may explain some of the other therapeutic and side effects of Aripiprazole. Aripiprazole's antagonism of histamine H1 receptors may explain the somnolence observed with this drug. Aripiprazole's antagonism of adrenergic a1 receptors may explain the orthostatic hypotension observed with this drug.","Absorption":"","Interactions":[{"ID":"DB00564"},{"ID":"DB01341"},{"ID":"DB06414"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00382"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB04844"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01239","Name":"Chlorprothixene","DrugType":"small molecule","HalfLife":"8 to 12 hours","Description":"Chlorprothixene is a typical antipsychotic drug of the thioxanthene (tricyclic) class. Chlorprothixene exerts strong blocking effects by blocking the 5-HT2 D1, D2, D3, histamine H1, muscarinic and alpha1 adrenergic receptors.","Classification":{"Description":"This compound belongs to the thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.","DirectParent":"Thioxanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Thioxanthenes"},"Indication":"For treatment of psychotic disorders (e.g. schizophrenia) and of acute mania occuring as part of bipolar disorders.","Toxicity":"Symptoms of overdose include difficulty in breathing (severe), dizziness (severe), drowsiness (severe), muscle trembling, jerking, stiffness, or uncontrolled movements (severe), small pupils, unusual excitement, and unusual tiredness or weakness (severe).","MechanismOfAction":"Chlorprothixene blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis.","Pharmacodynamics":"Chlorprothixene is a typical antipsychotic drug of the thioxanthine class. It has a low antipsychotic potency (half to 2/3 of chlorpromazine). An intrinsic antidepressant effect of chlorprothixene has been discussed, but not proven yet. Likewise, it is unclear, if chlorprothixene has genuine analgesic effects. An antiemetic effect, as with most antipsychotics, exists. It is used in the treatment of nervous, mental, and emotional conditions. Improvement in such conditions is thought to result from the effect of the medicine on nerve pathways in specific areas of the brain. Chlorprothixene has a strong sedative activity with a high incidence of anticholinergic side-effects. Chlorprothixene is structurally related to chlorpromazine, with which it shares in principal all side effects. Allergic side-effects and liver damage seem to appear with an appreciable lower frequency.","Absorption":"Incomplete bioavailability.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB01170"},{"ID":"DB00989"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB01240","Name":"Epoprostenol","DrugType":"small molecule","HalfLife":"The in vitro half-life of epoprostenol in human blood at 37\u0026deg;C and pH 7.4 is approximately 6 minutes; the in vivo half-life of epoprostenol in humans is therefore expected to be no greater than 6 minutes.","Description":"A prostaglandin that is a powerful vasodilator and inhibits platelet aggregation. It is biosynthesized enzymatically from prostaglandin endoperoxides in human vascular tissue. The sodium salt has been also used to treat primary pulmonary hypertension.","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"For the long-term intravenous treatment of primary pulmonary hypertension and pulmonary hypertension associated with the scleroderma spectrum of disease in NYHA Class III and Class IV patients who do not respond adequately to conventional therapy.","Toxicity":"Symptoms of overdose are extensions of its dose-limiting pharmacologic effects and include flushing, headache, hypotension, nausea, vomiting, and diarrhea. Most events were self-limiting and resolved with reduction or withholding of epoprostenol. Single intravenous doses at 10 and 50 mg/kg (2703 and 27,027 times the recommended acute phase human dose based on body surface area) were lethal to mice and rats, respectively. Symptoms of acute toxicity were hypoactivity, ataxia, loss of righting reflex, deep slow breathing, and hypothermia.","MechanismOfAction":"Prostaglandins are present in most body tissues and fluids and mediate many biological functions. Epoprostenol (PGI2) is a member of the family of prostaglandins that is derived from arachidonic acid. The major pharmacological actions of epoprostenol is ultimately inhibition of platelet aggregation. Prostacyclin (PGI2) is released by healthy endothelial cells and performs its function through a paracrine signaling cascade that involves G protein-coupled receptors on nearby platelets and endothelial cells. The platelet Gs protein-coupled receptor (prostacyclin receptor) is activated when it binds to PGI2. This activation, in turn, signals adenylyl cyclase to produce cAMP. cAMP goes on to inhibit any undue platelet activation (in order to promote circulation) and also counteracts any increase in cytosolic calcium levels which would result from thromboxane A2 (TXA2) binding (leading to platelet activation and subsequent coagulation). PGI2 also binds to endothelial prostacyclin receptors and in the same manner raise cAMP levels in the cytosol. This cAMP then goes on to activate protein kinase A (PKA). PKA then continues the cascade by phosphorylating and inhibiting myosin light-chain kinase which leads to smooth muscle relaxation and vasodilation. Notably, PGI2 and TXA2 work as physiological antagonists.","Pharmacodynamics":"Epoprostenol has two major pharmacological actions: (1) direct vasodilation of pulmonary and systemic arterial vascular beds, and (2) inhibition of platelet aggregation. In animals, the vasodilatory effects reduce right and left ventricular afterload and increase cardiac output and stroke volume. The effect of epoprostenol on heart rate in animals varies with dose. At low doses, there is vagally mediated brudycardia, but at higher doses, epoprostenol causes reflex tachycardia in response to direct vasodilation and hypotension. No major effects on cardiac conduction have been observed. Additional pharmacologic effects of epoprostenol in animals include bronchodilation, inhibition of gastric acid secretion, and decreased gastric emptying. No available chemical assay is sufficiently sensitive and specific to assess the in vivo human pharmacokinetics of epoprostenol.","Absorption":"","Interactions":[{"ID":"DB00519"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01241","Name":"Gemfibrozil","DrugType":"small molecule","HalfLife":"1.5 hours","Description":"A lipid-regulating agent that lowers elevated serum lipids primarily by decreasing serum triglycerides with a variable reduction in total cholesterol. These decreases occur primarily in the VLDL fraction and less frequently in the LDL fraction. Gemfibrozil increases HDL subfractions HDL2 and HDL3 as well as apolipoproteins A-I and A-II. Its mechanism of action has not been definitely established. [PubChem]","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For treatment of adult patients with very high elevations of serum triglyceride levels (types IV and V hyperlipidemia) who are at risk of developing pancreatitis (inflammation of the pancreas) and who do not respond adequately to a strict diet.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 3162 mg/kg. Symptoms of overdose include abdominal cramps, diarrhea, joint and muscle pain, nausea, and vomiting.","MechanismOfAction":"Gemfibrozil increases the activity of extrahepatic lipoprotein lipase (LL), thereby increasing lipoprotein triglyceride lipolysis. It does so by activating Peroxisome proliferator-activated receptor-alpha (PPARα) 'transcription factor ligand', a receptor that is involved in metabolism of carbohydrates and fats, as well as adipose tissue differentiation. This increase in the synthesis of lipoprotein lipase thereby increases the clearance of triglycerides. Chylomicrons are degraded, VLDLs are converted to LDLs, and LDLs are converted to HDL. This is accompanied by a slight increase in secretion of lipids into the bile and ultimately the intestine. Gemfibrozil also inhibits the synthesis and increases the clearance of apolipoprotein B, a carrier molecule for VLDL.","Pharmacodynamics":"Gemfibrozil, a fibric acid antilipemic agent similar to clofibrate, is used to treat hyperlipoproteinemia and as a second-line therapy for type IIb hypercholesterolemia. It acts to reduce triglyceride levels, reduce VLDL levels, reduce LDL levels (moderately), and increase HDL levels (moderately).","Absorption":"Well absorbed from gastrointestinal tract (within 1-2 hours).","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB01076"},{"ID":"DB00307"},{"ID":"DB00395"},{"ID":"DB00439"},{"ID":"DB08912"},{"ID":"DB00266"},{"ID":"DB01095"},{"ID":"DB00222"},{"ID":"DB00227"},{"ID":"DB01132"},{"ID":"DB08860"},{"ID":"DB00175"},{"ID":"DB00912"},{"ID":"DB00412"},{"ID":"DB01098"},{"ID":"DB00641"},{"ID":"DB00382"},{"ID":"DB00675"},{"ID":"DB00697"},{"ID":"DB01124"},{"ID":"DB00214"},{"ID":"DB00755"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB01586"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01242","Name":"Clomipramine","DrugType":"small molecule","HalfLife":"Following oral administration of a single 150 mg dose of clomipramine, the average elimination half-life of clomipramine was 32 hours (range: 19-37 hours) and of desmethylclomipramine was 69 hours (range: 54-77 hours). Elimination half-life may vary substantially with different doses due to saturable kinetics (i.e. metabolism). ","Description":"Clomipramine, the 3-chloro analog of imipramine, is a dibenzazepine-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, clomipramine does not affect mood or arousal, but may cause sedation. In depressed individuals, clomipramine exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as clomipramine, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline and desipramine. TCAs also down-regulate cerebral cortical \u0026beta;-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H\u003csub\u003e1\u003c/sub\u003e receptors, \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Clomipramine may be used to treat obsessive-compulsive disorder and disorders with an obsessive-compulsive component (e.g. depression, schizophrenia, Tourette’s disorder). Unlabeled indications include panic disorder, chronic pain (e.g. central pain, idiopathic pain disorder, tension headache, diabetic peripheral neuropathy, neuropathic pain), cataplexy and associated narcolepsy, autistic disorder, trichotillomania, onchophagia, stuttering, premature ejaculation, and premenstrual syndrome. Clomipramine is rapidly absorbed from the gastrointestinal tract and demethylated in the liver to its primary active metabolite, desmethylclomipramine. ","Classification":{"Description":"This compound belongs to the dibenzazepines. These are compounds with two benzene rings connected by an azepine ring.","DirectParent":"Dibenzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":"Dibenzazepines"},"Indication":"May be used to treat obsessive-compulsive disorder and disorders with an obsessive-compulsive component (e.g. depression, schizophrenia, Tourette’s disorder).\r\nUnlabeled indications include: depression, panic disorder, chronic pain (e.g. central pain, idiopathic pain disorder, tension headache, diabetic peripheral neuropathy, neuropathic pain), cataplexy and associated narcolepsy (limited evidence), autistic disorder (limited evidence), trichotillomania (limited evidence), onchophagia (limited evidence), stuttering (limited evidence), premature ejaculation, and premenstrual syndrome. ","Toxicity":"Signs and symptoms vary in severity depending upon factors such as the amount of drug absorbed, the age of the patient, and the time elapsed since drug ingestion. Critical manifestations of overdose include cardiac dysrhythmias, severe hypotension, convulsions, and CNS depression including coma. Changes in the electrocardiogram, particularly in QRS axis or width, are clinically significant indicators of tricyclic toxicity. In U.S. clinical trials, 2 deaths occurred in 12 reported cases of acute overdosage with Anafranil either alone or in combination with other drugs. One death involved a patient suspected of ingesting a dose of 7000 mg. The second death involved a patient suspected of ingesting a dose of 5750 mg.\r\nSide effects include: sedation, hypotension, blurred vision, dry mouth, constipation, urinary retention, postural hypotension, tachycardia, hypertension, ECG changes, heart failure, impaired memory and delirium, and precipitation of hypomanic or manic episodes in bipolar depression. \r\nWithdrawal symptoms include gastrointestinal disturbances, anxiety, and insomnia. ","MechanismOfAction":"Clomipramine is a strong, but not completely selective serotonin reuptake inhibitor (SRI), as the active main metabolite desmethyclomipramine acts preferably as an inhibitor of noradrenaline reuptake. \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-receptor blockage and \u0026beta;-down-regulation have been noted and most likely play a role in the short term effects of clomipramine. A blockade of sodium-channels and NDMA-receptors might, as with other tricyclics, account for its effect in chronic pain, in particular the neuropathic type.","Pharmacodynamics":"Clomipramine, a tricyclic antidepressant, is the 3-chloro derivative of Imipramine. It was thought that tricyclic antidepressants work exclusively by inhibiting the re-uptake of the neurotransmitters norepinephrine and serotonin by nerve cells. However, this response occurs immediately, yet mood does not lift for around two weeks. It is now thought that changes occur in receptor sensitivity in the cerebral cortex and hippocampus. The hippocampus is part of the limbic system, a part of the brain involved in emotions. Presynaptic receptors are affected: \u0026alpha;\u003csub\u003e1\u003c/sub\u003e and \u0026beta;\u003csub\u003e1\u003c/sub\u003e receptors are sensitized, \u0026alpha;\u003csub\u003e2\u003c/sub\u003e receptors are desensitized (leading to increased noradrenaline production). Tricyclics are also known as effective analgesics for different types of pain, especially neuropathic or neuralgic pain.","Absorption":"Well absorbed from the GI tract following oral administration. Bioavailability is approximately 50% orally due to extensive first-pass metabolism. Bioavailability is not affected by food. Peak plasma concentrations occurred 2-6 hours following oral administration of a single 50 mg dose. The peak plasma concentration ranged from 56 ng/mL to 154 mg/mL (mean, 92 ng/mL). There are large interindividual variations in plasma concentrations occur, partly due to genetic differences in clomipramine metabolism. On average, steady state plasma concentrations are achieved in 1-2 weeks following multiple dose oral administration. Smoking appears to lower the steady-state plasma concentration of clomipramine, but not its active metabolite desmethylclomipramine. ","Interactions":[{"ID":"DB00488"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB01341"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB01064"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB00723"},{"ID":"DB01171"},{"ID":"DB00368"},{"ID":"DB00816"},{"ID":"DB00780"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00852"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB01367"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00989"},{"ID":"DB01001"},{"ID":"DB01105"},{"ID":"DB01208"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00857"},{"ID":"DB00871"},{"ID":"DB00342"},{"ID":"DB00730"},{"ID":"DB01623"},{"ID":"DB00208"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB00315"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000028","Name":"Clomipramine Hydrochloride "}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00639","Drugs":["DB01242"]}]},{"ID":"DB01243","Name":"Chloroxine","DrugType":"small molecule","HalfLife":"","Description":"Chloroxine is a synthetic antibacterial compound. Chloroxine is a compound used in some shampoos for the treatment of dandruff and seborrheic dermatitis of the scalp.","Classification":{"Description":"This compound belongs to the hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group.","DirectParent":"Hydroxyquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroxyquinolines"},"Indication":"Used in the treatment of dandruff and mild to moderately severe seborrheic dermatitis of the scalp.","Toxicity":"The toxicological properties of this material have not been investigated.","MechanismOfAction":"Although the mechanism of action is not understood, chloroxine may slow down mitotic activity in the epidermis, thereby reducing excessive scaling associated with dandruff or seborrheic dermatitis of the scalp. Chloroxine induces SOS-DNA repair in E. coli, so chloroxine may be genotoxic to bacteria.","Pharmacodynamics":"Chloroxine has an antibacterial action, inhibiting the growth of gram-positive as well as some gram-negative organisms. Also, chloroxine has shown some antifungal activity against certain dermatophytes and yeasts.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01244","Name":"Bepridil","DrugType":"small molecule","HalfLife":"24-50 hours","Description":"A long-acting, non selective, calcium channel blocker with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist. [PubChem] It is no longer marketed in the United States, as it has been implicated in causing ventricular arrhythmias (ie. Torsade de pointes).\r\n\r\n","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the treatment of hypertension, and chronic stable angina (classic effort-associated angina).","Toxicity":"There has been one experience with overdosage in which a patient inadvertently took a single dose of 1600 mg of bepridil. The patient was observed for 72 hours in intensive care, but no significant adverse experiences were noted.","MechanismOfAction":"Bepridil has inhibitory effects on both the slow calcium (L-type) and fast sodium inward currents in myocardial and vascular smooth muscle, interferes with calcium binding to calmodulin, and blocks both voltage and receptor operated calcium channels. Bepridil inhibits the transmembrane influx of calcium ions into cardiac and vascular smooth muscle. This has been demonstrated in isolated myocardial and vascular smooth muscle preparations in which both the slope of the calcium dose response curve and the maximum calcium-induced inotropic response were significantly reduced by bepridil. In cardiac myocytes \u003ci\u003ein vitro\u003c/i\u003e, bepridil was shown to be tightly bound to actin. Bepridil regularly reduces heart rate and arterial pressure at rest and at a given level of exercise by dilating peripheral arterioles and reducing total peripheral resistance (afterload) against which the heart works.","Pharmacodynamics":"Bepridil is a calcium channel blocker that has well characterized anti-anginal properties and known but poorly characterized type 1 anti-arrhythmic and anti-hypertensive properties. It is not related chemically to other calcium channel blockers such as diltiazem hydrochloride, nifedipine and verapamil hydrochloride.","Absorption":"Rapidly and completely absorbed after oral administration.","Interactions":[{"ID":"DB00701"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB01072"},{"ID":"DB00604"},{"ID":"DB06414"},{"ID":"DB01319"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01137"},{"ID":"DB06708"},{"ID":"DB00218"},{"ID":"DB00503"},{"ID":"DB01208"},{"ID":"DB06402"},{"ID":"DB00342"},{"ID":"DB00932"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB01245","Name":"Decamethonium","DrugType":"small molecule","HalfLife":"","Description":"Decamethonium is a short acting depolarizing muscle relaxant or neuromuscular blocking agent, and is used in anesthesia to induce paralysis. It is similar to acetylcholine and acts as a partial agonist of the nicotinic acetylcholine receptor.","Classification":{"Description":"This compound belongs to the decamethonium compounds. These are quaternary ammonium compounds containing a trimethyl-(10-trimethylammoniodecyl)ammonium moiety.","DirectParent":"Decamethonium Compounds","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Decamethonium Compounds"},"Indication":"For use as a skeletal muscle relaxant","Toxicity":"LD\u003csub\u003e50\u003c/sub\u003e=190 mg/kg (orally in mice). Prolonged apnoea, neuromuscular paralysis and cardiac arrest may occur.","MechanismOfAction":"Binds to the nicotinic acetycholine receptors (by virtue of its similarity to acetylcholine) in the motor endplate and blocks access to the receptors. In the process of binding, the receptor is actually activated - causing a process known as depolarization. Since it is not degraded in the neuromuscular junction, the depolarized membrance remains depolarized and unresponsive to any other impulse, causing muscle paralysis.","Pharmacodynamics":"Decamethonium acts as a depolarizing muscle relaxant or neuromuscular blocking agent. It acts as an agonist of nicotinic acetycholine receptors in the motor endplate and causes depolarization. This class of drugs has its effect at the neuromuscular junction by preventing the effects of acetylcholine. Normally, when a nerve stimulus acts to contract a muscle, it releases acetylcholine. The binding of this acetylcholine to receptors causes the muscle to contract. Muscle relaxants play an important role in anesthesia even though they don't provide any pain relief or produce unconsciousness.","Absorption":"Rapidly absorbed.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01246","Name":"Alimemazine","DrugType":"small molecule","HalfLife":"","Description":"A phenothiazine derivative that is used as an antipruritic. [PubChem]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Used to prevent and relieve allergic conditions which cause pruritus (itching) and urticaria (some allergic skin reactions).","Toxicity":"Symptoms of overdose clumsiness or unsteadiness, seizures, severe drowsiness, flushing or redness of face, hallucinations, muscle spasms (especially of neck and back), restlessness, shortness of breath, shuffling walk, tic-like (jerky) movements of head and face, trembling and shaking of hands, and insomnia.","MechanismOfAction":"Trimeprazine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding.","Pharmacodynamics":"Trimeprazine (also known as Alimemazine) is a tricyclic antihistamine, similar in structure to the phenothiazine antipsychotics, but differing in the ring-substitution and chain characteristics. Trimeprazine is in the same class of drugs as chlorpromazine (Thorazine) and trifluoperazine (Stelazine); however, unlike the other drugs in this class, trimeprazine is not used clinically as an anti-psychotic. It acts as an anti-histamine, a sedative, and an anti-emetic (anti-nausea). Trimeprazine is used principally as an anti-emetic, to prevent motion sickness or as an anti-histamine in combination with other medications in cough and cold preparations. Tricyclic antihistamines are also structurally-related to the tricyclic antidepressants, explaining the antihistaminergic adverse effects of these two drug classes and also the poor tolerability profile of tricyclic H\u003csub\u003e1\u003c/sub\u003e-antihistamines.","Absorption":"Well absorbed in the digestive tract.","Interactions":[{"ID":"DB01200"},{"ID":"DB00604"},{"ID":"DB01191"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01170"},{"ID":"DB00579"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB01278"},{"ID":"DB00382"},{"ID":"DB00342"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000183","Name":"Alimemazine tartrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01247","Name":"Isocarboxazid","DrugType":"small molecule","HalfLife":"","Description":"An MAO inhibitor that is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in the treatment of panic disorder and the phobic disorders. (From AMA, Drug Evaluations Annual, 1994, p311)","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"May be used to treat major depressive disorder. ","Toxicity":"Signs of overdose include severe anxiety, confusion, convulsions, cool clammy skin, severe dizziness, severe drowsiness, fast and irregular pulse, fever, hallucinations, severe headache, high or low blood pressure, hyperactive reflexes, muscle stiffness, respiratory depression or failure, slowed reflexes, sweating, severe trouble in sleeping, and unusual irritability.","MechanismOfAction":"Isocarboxazid works by irreversibly blocking the action of a chemical substance known as monoamine oxidase (MAO) in the nervous system. MAO subtypes A and B are involved in the metabolism of serotonin and catecholamine neurotransmitters such as epinephrine, norepinephrine, and dopamine. Isocarboxazid, as a nonselective MAO inhibitor, binds irreversibly to monoamine oxidase\u0026ndash;A (MAO-A) and monoamine oxidase\u0026ndash;B (MAO-B). The reduced MAO activity results in an increased concentration of these neurotransmitters in storage sites throughout the central nervous system (CNS) and sympathetic nervous system. This increased availability of one or more monoamines is the basis for the antidepressant activity of MAO inhibitors.","Pharmacodynamics":"Isocarboxazid is a non-selective hydrazine monoamine oxidase (MAO) inhibitor used to treat depression. In vivo and in vitro studies demonstrated inhibition of MAO in the brain, heart, and liver. Depression is a complicated disease that is not fully understood. It is thought that depression may be linked to an imbalance of chemicals within the brain. When depression occurs, there may be a decrease in the amount of chemicals released from nerve cells in the brain. These chemicals are called monoamines. Monoamines are broken down by a chemical called monoamine oxidase. Isocarboxazid prevents monoamine oxidase from breaking down the monoamines. This results in an increased amount of active monoamines in the brain. By increasing the amount of monoamines in the brain, the imbalance of chemicals thought to be caused by depression is altered. This helps relieve the symptoms of depression.","Absorption":"Well absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00918"},{"ID":"DB00488"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00182"},{"ID":"DB00289"},{"ID":"DB00865"},{"ID":"DB01393"},{"ID":"DB00484"},{"ID":"DB00921"},{"ID":"DB01156"},{"ID":"DB00490"},{"ID":"DB00215"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00514"},{"ID":"DB00937"},{"ID":"DB00841"},{"ID":"DB00843"},{"ID":"DB00988"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00494"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01175"},{"ID":"DB00574"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00674"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB01064"},{"ID":"DB01235"},{"ID":"DB00150"},{"ID":"DB00579"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB01577"},{"ID":"DB01403"},{"ID":"DB00723"},{"ID":"DB00422"},{"ID":"DB00211"},{"ID":"DB04896"},{"ID":"DB00370"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00368"},{"ID":"DB00540"},{"ID":"DB00816"},{"ID":"DB00715"},{"ID":"DB00454"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00344"},{"ID":"DB00852"},{"ID":"DB00989"},{"ID":"DB00953"},{"ID":"DB01001"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB00669"},{"ID":"DB00382"},{"ID":"DB00871"},{"ID":"DB04844"},{"ID":"DB00323"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00285"},{"ID":"DB06684"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01248","Name":"Docetaxel","DrugType":"small molecule","HalfLife":"Dose-dependent. Doses of 70 mg per square meter of body surface area (mg/m 2 ) or higher produce a triphasic elimination profile. With lower doses, assay limitations precluded detection of the terminal elimination phase. The half-life of the alpha, beta, and gamma phase are 4 minutes, 36 minutes, and 11.1 hours, respectively. ","Description":"Docetaxel is a clinically well established anti-mitotic chemotherapy medication used mainly for the treatment of breast, ovarian, and non-small cell lung cancer. Docetaxel binds to microtubules reversibly with high affinity and has a maximum stoichiometry of one mole docetaxel per mole tubulin in microtubules.","Classification":{"Description":"This compound belongs to the taxanes and 11(15-\u003e1)abeotaxanes. These are diterpenes whose structure is based on the taxane or 11(15-\u003e1)abeaotaxane skeleton, which is characterized by a 6-8-6 tricyclic ring system.","DirectParent":"Taxanes and 11(15-\u003e1)Abeotaxanes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"For the treatment of patients with locally advanced or metastatic breast cancer after failure of prior chemotherapy. Also used as a single agent in the treatment of patients with locally advanced or metastatic non-small cell lung cancer after failure of prior platinum-based chemotherapy. It is also used in combination with prednisone, in the treatment of patients with androgen independent (hormone refractory) metastatic prostate cancer. Furthermore, docetaxel has uses in the treatment of gastric adenocarinoma and head and neck cancer. ","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat is \u003e2000 mg/kg. Anticipated complications of overdosage include: bone marrow suppression, peripheral neurotoxicity, and mucositis. In two reports of overdose, one patient received 150 mg/m\u003csup\u003e2\u003c/sup\u003e and the other received 200 mg/m\u003csup\u003e2\u003c/sup\u003e as 1-hour infusions. Both patients experienced severe neutropenia, mild asthenia, cutaneous reactions, and mild paresthesia, and recovered without incident.","MechanismOfAction":"Docetaxel interferes with the normal function of microtubule growth. Whereas drugs like colchicine cause the depolymerization of microtubules in vivo, docetaxel arrests their function by having the opposite effect; it hyper-stabilizes their structure. This destroys the cell's ability to use its cytoskeleton in a flexible manner. Specifically, docetaxel binds to the \u0026beta;-subunit of tubulin. Tubulin is the \"building block\" of mictotubules, and the binding of docetaxel locks these building blocks in place. The resulting microtubule/docetaxel complex does not have the ability to disassemble. This adversely affects cell function because the shortening and lengthening of microtubules (termed dynamic instability) is necessary for their function as a transportation highway for the cell. Chromosomes, for example, rely upon this property of microtubules during mitosis. Further research has indicated that docetaxel induces programmed cell death (apoptosis) in cancer cells by binding to an apoptosis stopping protein called Bcl-2 (B-cell leukemia 2) and thus arresting its function.","Pharmacodynamics":"Docetaxel is a taxoid antineoplastic agent. It promotes the assembly of microtubules from tubulin dimers and stabilizes microtubules by preventing depolymerization. This stability results in the inhibition of the normal dynamic reorganization of the microtubule network that is essential for vital interphase and mitotic cellular functions. In addition, docetaxel induces abnormal arrays or \"bundles\" of microtubules throughout the cell cycle and multiple asters of microtubules during mitosis.","Absorption":"The pharmacokinetic profile is consistent with a three-compartment model. The area under the curve (AUC) was dose proportional following doses of 70 mg/m2 to 115 mg/m2 with infusion times of 1 to 2 hours.","Interactions":[{"ID":"DB00673"},{"ID":"DB00958"},{"ID":"DB00515"},{"ID":"DB00199"},{"ID":"DB01321"},{"ID":"DB01026"},{"ID":"DB00683"},{"ID":"DB01173"},{"ID":"DB01369"},{"ID":"DB00976"},{"ID":"DB00624"},{"ID":"DB01420"},{"ID":"DB00072"},{"ID":"DB00385"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00435","Drugs":["DB01248"]}]},{"ID":"DB01249","Name":"Iodixanol","DrugType":"small molecule","HalfLife":"2.1 hours. In patients with significantly impaired renal function (mean creatinine clearance rate, 9.91 [\u0026plusmn; 3.58] mL per minute), the plasma half-life is increased to 23 hours.","Description":"Iodixanol is a nonionic hydrophilic compound commonly used as a contrast agent during coronary angiography, particularly in individuals with renal dysfunction, as it is believed to be less toxic to the kidneys than most other intravascular contrast agents.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"Iodixanol is a contrast agent during coronary angiography.","Toxicity":"Non-ionic radiocontrast agents like iodixanol are cytotoxic to renal cells. The toxic effects include apoptosis, cellular energy failure, disruption of calcium homeostasis, and disturbance of tubular cell polarity, and are thought to be linked to oxidative stress.","MechanismOfAction":"Organic iodine compounds attenuate x-rays as they pass through the body, thereby allowing the body structures containing iodine to be delineated in contrast to those structures that do not contain iodine. The degree of opacity produced by these compounds is directly proportional to the total amount (concentration and volume) of the iodinated contrast agent in the path of the x-rays. After intravascular administration, iodixanol makes opaque those internal structures in its path of flow, allowing their visualization until significant hemodilution and elimination occur.","Pharmacodynamics":"Iodixanol is a contrast agent commonly used during coronary angiography, particularly in individuals with renal dysfunction, as it is believed to be less toxic to the kidneys than most other intravascular contrast agents. It is an iso-osmolar contrast agent, with an osmolality of 290 mOsm/kg H20, the same as blood.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01250","Name":"Olsalazine","DrugType":"small molecule","HalfLife":"Olsalazine has an elimination half-life of 0.9 hours, however, olsalazine-S has a half-life of 7 days.","Description":"Olsalazine is an anti-inflammatory drug used in the treatment of Inflammatory Bowel Disease and Ulcerative Colitis. Olsalazine is a derivative of salicylic acid. Inactive by itself (it is a prodrug), it is converted by the bacteria in the colon to mesalamine. Mesalamine works as an anti-inflammatory agent in treating inflammatory diseases of the intestines.","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the treatment of Inflammatory Bowel Disease and Ulcerative Colitis.","Toxicity":"Maximum single oral doses of 5g/kg in mice and rats and 2 g/kg in dogs were not lethal.","MechanismOfAction":"Orally administered olsalazine is converted to mesalamine which is thought to be the therapeutically active agent in the treatment of ulcerative colitis. The mechanism of action of mesalamine (and sulfasalazine) is unknown, but appears to be topical rather than systemic. Mucosal production of arachidonic acid (AA) metabolites, both through the cyclooxygenase pathways, i.e., prostanoids, and through the lipoxygenase pathways, i.e., leukotrienes (LTs) and hydroxyelcosatetraenoic acids (HETEs) is increased in patients with chronic inflammatory bowel disease, and it is possible that mesalamine diminishes inflammation by blocking cyclooxygenase and inhibiting prostaglandin (PG) production in the colon.","Pharmacodynamics":"Olsalazine is an anti-inflammatory drug used in the treatment of Inflammatory Bowel Disease and Ulcerative Colitis. Olsalazine reduces the bowel inflammation, diarrhea (stool frequency), rectal bleeding, and abdominal pain. Like Balsalazide, Olsalazine is believed to deliver Mesalazine, or 5-aminosalicylic acid (5-ASA), past the small intestine, directly to the large intestine, which is that active site of disease in ulcerative colitis.","Absorption":"After oral administration, olsalazine, has limited systemic bioavailability. 98-99% of the dose is converted to mesalamine (5-ASA) in the colon, which is absorbed slowly resulting in very high local concentrations in the colon.","Interactions":[{"ID":"DB00993"},{"ID":"DB01033"},{"ID":"DB00352"}],"Salts":[{"ID":"DBSALT000191","Name":"Olsalazine sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01251","Name":"Gliquidone","DrugType":"small molecule","HalfLife":"The mean terminal half-life was approximately 8 hours (range 5.7-9.4 hours)","Description":"Gliquidone is an anti-diabetic drug in the sulfonylurea class. It is used in the treatment of diabetes mellitus type 2. It is an ATP-dependent K+ (KATP) channel blocker. This block causes a depolarization which leads to activation of voltage-dependent Ca channels and Ca2+ influx, and eventually increases insulin release.","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"Used in the treatment of diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"The mechanism of action of gliquidone in lowering blood glucose appears to be dependent on stimulating the release of insulin from functioning pancreatic beta cells, and increasing sensitivity of peripheral tissues to insulin. Gliquidone likely binds to ATP-sensitive potassium channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Membrane depolarization stimulates calcium ion influx through voltage-sensitive calcium channels. This increase in intracellular calcium ion concentration induces the secretion of insulin.","Pharmacodynamics":"Gliquidone is an anti-diabetic drug in the sulfonylurea class. In patients with diabetes mellitus, there is a deficiency or absence of a hormone manufactured by the pancreas called insulin. Insulin is the main hormone responsible for the control of sugar in the blood. Gliquidone is an antidiabetic medication which is used in those patients with adult maturity onset or non-insulin dependent diabetes (NIDDM). It works by lowering blood sugar levels by stimulating the production and release of insulin from the pancreas. It also promotes the movement of sugar from the blood into the cells in the body which need it.\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01252","Name":"Mitiglinide","DrugType":"small molecule","HalfLife":"","Description":"Mitiglinide is a drug for the treatment of type 2 diabetes .Mitiglinide is thought to stimulate insulin secretion by closing the ATP-sensitive K(+) (K(ATP)) channels in pancreatic beta-cells.","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"For the treatment of type 2 diabetes.","Toxicity":"","MechanismOfAction":"Mitiglinide is thought to stimulate insulin secretion by binding to and blocking ATP-sensitive K(+) (K(ATP)) channels (Kir6.2/SUR1 complex, KATP channels) in pancreatic beta-cells. Closure of potassium channels causes depolarization which stimulates calcium influx through voltage-gated calcium channels. High intracellular calcium subsequently triggers the exocytosis of insulin granules. ","Pharmacodynamics":"Mitiglinide belongs to the meglitinide class of blood glucose-lowering drugs. It is approved for use in Japan but has not yet gained FDA approval.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01253","Name":"Ergonovine","DrugType":"small molecule","HalfLife":"t\u003csub\u003e1/2 \u0026alpha;\u003c/sub\u003e=10 minutes; t\u003csub\u003e1/2 \u0026beta;\u003c/sub\u003e=2 hours","Description":"An ergot alkaloid with uterine and vascular smooth muscle contractile properties. [PubChem]","Classification":{"Description":"This compound belongs to the indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.","DirectParent":"Indoloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Indoloquinolines"},"Indication":"Used to treat postpartum haemorrhage and postabortion haemorrhage in patients with uterine atony. ","Toxicity":"The principal symptoms of overdose are convulsions and gangrene. Other symptoms include bradycardia, confusion, diarrhoea, dizziness, dyspnoea, drowsiness, fast and/or weak pulse, miosis, hypercoagulability, loss of consciousness, nausea and vomiting, numbness and coldness of the extremities, pain in the chest, peripheral vasoconstriction, respiratory depression, rise or fall in blood pressure, severe cramping of the uterus, tachycardia, tingling, and unusual thirst.","MechanismOfAction":"Ergonovine directly stimulates the uterine muscle to increase force and frequency of contractions. With usual doses, these contractions precede periods of relaxation; with larger doses, basal uterine tone is elevated and these relaxation periods will be decreased. Contraction of the uterine wall around bleeding vessels at the placental site produces hemostasis. Ergonovine also induces cervical contractions. The sensitivity of the uterus to the oxytocic effect is much greater toward the end of pregnancy. The oxytocic actions of ergonovine are greater than its vascular effects. Ergonovine, like other ergot alkaloids, produces arterial vasoconstriction by stimulation of alpha-adrenergic and serotonin receptors and inhibition of endothelial-derived relaxation factor release. It is a less potent vasoconstrictor than ergotamine. As a diagnostic aid (coronary vasospasm), ergonovine causes vasoconstriction of coronary arteries.","Pharmacodynamics":"Ergonovine belongs to the group of medicines known as ergot alkaloids. These medicines are usually given to stop excessive bleeding that sometimes occurs after abortion or a baby is delivered. They work by causing the muscle of the uterus to contract.","Absorption":"Absorption is rapid and complete after oral or intramuscular administration.","Interactions":[{"ID":"DB01193"},{"ID":"DB00918"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00705"},{"ID":"DB06700"},{"ID":"DB00095"},{"ID":"DB00216"},{"ID":"DB00668"},{"ID":"DB00199"},{"ID":"DB00187"},{"ID":"DB00998"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB00952"},{"ID":"DB00727"},{"ID":"DB01580"},{"ID":"DB06154"},{"ID":"DB00388"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB00976"},{"ID":"DB00373"},{"ID":"DB00932"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01254","Name":"Dasatinib","DrugType":"small molecule","HalfLife":"The overall mean terminal half-life of dasatinib is 3-5 hours.","Description":"Dasatinib is an oral dual BCR/ABL and Src family tyrosine kinase inhibitor approved for use in patients with chronic myelogenous leukemia (CML). The main targets of Dasatinib, are BCRABL, SRC, Ephrins and GFR.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"For the treatment of adults with chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia with resistance or intolerance to prior therapy. Also indicated for the treatment of adults with Philadelphia chromosome-positive acute lymphoblastic leukemia with resistance or intolerance to prior therapy.","Toxicity":"Acute overdose in animals was associated with cardiotoxicity.","MechanismOfAction":"Dasatinib, at nanomolar concentrations, inhibits the following kinases: BCR-ABL, SRC family (SRC, LCK, YES, FYN), c-KIT, EPHA2, and PDGFR\u0026beta;. Based on modeling studies, dasatinib is predicted to bind to multiple conformations of the ABL kinase. In vitro, dasatinib was active in leukemic cell lines representing variants of imatinib mesylate sensitive and resistant disease. Dasatinib inhibited the growth of chronic myeloid leukemia (CML) and acute lymphoblastic leukemia (ALL) cell lines overexpressing BCR-ABL. Under the conditions of the assays, dasatinib was able to overcome imatinib resistance resulting from BCR-ABL kinase domain mutations, activation of alternate signaling pathways involving the SRC family kinases (LYN, HCK), and multi-drug resistance gene overexpression. ","Pharmacodynamics":"Dasatinib is an oral dual BCR/ABL and Src family tyrosine kinase inhibitor","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB00063"},{"ID":"DB06414"},{"ID":"DB00338"},{"ID":"DB00213"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01129"},{"ID":"DB00863"},{"ID":"DB01045"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01255","Name":"Lisdexamfetamine","DrugType":"small molecule","HalfLife":"The plasma elimination half-life of lisdexamfetamine typically averaged less \r\nthan one hour.","Description":"Lisdexamfetamine (L-lysine-d-amphetamine) is a prodrug of the psychostimulant d-amphetamine coupled with the essential amino acid L-lysine. It was developed so that the amphetamine psychostimulant is released and activated more slowly as the prodrug molecule is hydrolyzed consequently cleaving off the amino acid-during the first pass through the intestines and/or the liver. Amphetamines target the trace amine-associated receptor 1 (TAAR1). Amphetamine is also believed to exert its effects by binding to the monoamine transporters (the dopamine transporter or DAT) and increasing extracellular levels of the biogenic amines dopamine, norepinephrine (noradrenaline) and serotonin.","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Attention Deficit/Hyperactivity Disorder (ADHD) in pediatric populations aged 6 to 12 years.","Toxicity":"Manifestations of acute overdosage with amphetamines include restlessness, tremor, hyperreflexia, rapid respiration, confusion, assaultiveness, hallucinations, panic states, hyperpyrexia and rhabdomyolysis. Fatigue and depression usually follow the central nervous system stimulation. Cardiovascular effects include arrhythmias, hypertension or hypotension and circulatory collapse. Gastrointestinal symptoms include nausea, vomiting, diarrhea, and abdominal cramps. Fatal poisoning is usually preceded by convulsions and coma.","MechanismOfAction":"Lisdexamfetamine is a pro-drug of dextroamphetamine. Amphetamines are thought to block the reuptake of norepinephrine and dopamine into the presynaptic neuron and increase the release of these monoamines into the extraneuronal space. Norepinephrine and dopamine contribute to maintaining alertness, increasing focus, and sustaining thought, effort, and motivation. However, the exact therapeutic action in ADHD is not known.\r\n","Pharmacodynamics":"Lisdexamfetamine is a pro-drug of dextroamphetamine. It works primarily by inducing the release of the neurotransmitters dopamine and norepinephrine from their storage areas in nerve terminals. Both of these transmitters contribute to maintaining alertness, increasing focus, and sustaining thought, effort, and motivation.","Absorption":"After oral administration, lisdexamfetamine is rapidly absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB00193"},{"ID":"DB00519"},{"ID":"DB00752"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01256","Name":"Retapamulin","DrugType":"small molecule","HalfLife":"","Description":"Retapamulin is a topical antibiotic developed by GlaxoSmithKline. It was approved by the United States Food and Drug Administration in April 2007 for the treatment of bacterial skin infections such as impetigo. It is marketed as an ointment under the name brand Altabax.","Classification":{"Description":"This compound belongs to the pleuromutilin and derivatives. These are mutilins with an hydroxyacetate derivative attached to the C8 carbon atom of the cyclopenta[8]annulene moiety.","DirectParent":"Pleuromutilin and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Terpene Lactones"},"Indication":"For use in adults and pediatric patients aged 9 months and older for the topical treatment of impetigo (up to 100 cm\u003csup\u003e2\u003c/sup\u003e in total area in adults or 2% total body surface area in pediatric patients aged 9 months or older) due to Staphylococcus aureus (methicillin-susceptible isolates only) or Streptococcus pyogenes.","Toxicity":"","MechanismOfAction":"Retapamulin is a bacterial protein synthesis inhibitor belonging to a class of compounds called pleuromutilins. These compounds inhibit the initiation of protein synthesis by binding to a specific site on the 50S subunit of bacterial ribosome (domain V of 23S rRNA). This binding site involves ribosomal protein L3 and is in the region of the ribosomal P site and peptidyl transferase center. By virtue of binding to this site, pleuromutilins inhibit peptidyl transfer, block P-site interactions, and prevent the normal formation of active 50S ribosomal subunits.","Pharmacodynamics":"Retapamulin is a semisynthetic pleuromutilin antibiotic. This drug is usually bacteriostatic in action, but may become bactericidal at highed concentrations (when MBC is 1000 times higher than MIC). Retapamulin acts by selectively inhibiting the initiation of protein synthesis in bacteria at the level of bacterial 50S ribosome.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01257","Name":"Eculizumab","DrugType":"biotech","HalfLife":"272 \u0026plusmn; 82 hrs (mean \u0026plusmn; SD)","Description":"Soliris is a formulation of eculizumab which is a recombinant humanized monoclonal IgG2/4;\u0026kappa; antibody produced by murine myeloma cell culture and purified by standard bioprocess technology. Eculizumab contains human constant regions from human IgG2 sequences and human IgG4 sequences and murine complementarity-determining regions grafted onto the human framework light- and heavy-chain variable regions. Eculizumab is composed of two 448 amino acid heavy chains and two 214 amino acid light chains and has a molecular weight of approximately 148 kDa.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of patients with paroxysmal nocturnal hemoglobinuria (PNH) to reduce hemolysis.","Toxicity":"","MechanismOfAction":"A genetic mutation in PNH patients leads to the generation of populations of abnormal RBCs (known as PNH cells) that are deficient in terminal complement inhibitors (CD-59), rendering PNH RBCs sensitive to persistent terminal complement-mediated destruction. The destruction and loss of these PNH cells (intravascular hemolysis) results in low RBC counts (anemia) and also fatigue, difficulty in functioning, pain, dark urine, shortness of breath, and blood clots. Eculizumab, the active ingredient in Soliris, is a monoclonal antibody that binds to the complement protein C5 specifically and with high affinity, thereby inhibiting its cleavage to C5a and C5b and subsequent generation of the terminal complement complex C5b-9. Soliris inhibits terminal complement mediated intravascular hemolysis in PNH patients and therefore the destruction of PNH erythrocytes that lack complement protection with CD-59. ","Pharmacodynamics":"Eculizumab is a monoclonal antibody directed against the complement protein C5. This antibody blocks the cleavage of C5 and halts the process of complement-mediated cell destruction. Eculizumab is a product of Alexion Pharmaceuticals and has been shown to be effective in treating paroxysmal nocturnal hemoglobinuria. Eculizumab was approved by the FDA in March, 2007.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01259","Name":"Lapatinib","DrugType":"small molecule","HalfLife":"Single-dose terminal half life: 14.2 hours\r\nEffective multiple-dose half life: 24 hours","Description":"Lapatinib is an anti-cancer drug developed by GlaxoSmithKline (GSK) as a treatment for solid tumours such as breast and lung cancer. It was approved by the FDA on March 13, 2007, for use in patients with advanced metastatic breast cancer in conjunction with the chemotherapy drug Capecitabine. Lapatinib is human epidermal growth factor receptor type 2 (HER2/ERBB2) and epidermal growth factor receptor (HER1/EGFR/ERBB1) tyrosine kinases inhibitor. It binds to the intracellular phosphorylation domain to prevent receptor autophosphorylation upon ligand binding.","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"Indicated in combination with capecitabine for the treatment of patients with advanced or metastatic breast cancer whose tumors overexpress the human epidermal receptor type 2 (HER2) protein and who have received prior therapy including an anthracycline, a taxane, and trastuzuma.","Toxicity":"There has been a report of one patient who took 3,000 mg of lapatinib for 10 days. This patient had grade 3 diarrhea and vomiting on day 10.","MechanismOfAction":"Lapatinib is a 4-anilinoquinazoline kinase inhibitor of the intracellular tyrosine kinase domains of both epidermal growth factor receptor (HER1/EGFR/ERBB1) and human epidermal growth factor receptor type 2 (HER2/ERBB2)with a dissociation half-life of \u0026ge;300 minutes. Lapatinib inhibits ERBB-driven tumor cell growth in vitro and in various animal models. An additive effect was demonstrated in an in vitro study when lapatinib and 5-florouracil (the active metabolite of capecitabine) were used in combination in the 4 tumor cell lines tested. The growth inhibitory effects of lapatinib were evaluated in trastuzumab-conditioned cell lines. Lapatinib retained significant activity against breast cancer cell lines selected for long-term growth in trastuzumab-containing medium in vitro. These in vitro findings suggest non-cross-resistance between these two agents.","Pharmacodynamics":"Lapatinib is a small molecule and a member of the 4-anilinoquinazoline class of kinase inhibitors. An anti-cancer drug, lapatinib was developed by GlaxoSmithKline (GSK) as a treatment for solid tumours such as breast and lung cancer. It was approved by the FDA on March 13, 2007, for use in patients with advanced metastatic breast cancer in conjunction with the chemotherapy drug capecitabine. ","Absorption":"Absorption following oral administration of lapatinib is incomplete and variable.","Interactions":[{"ID":"DB06697"},{"ID":"DB06414"},{"ID":"DB06708"},{"ID":"DB06589"},{"ID":"DB00864"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB01623"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01260","Name":"Desonide","DrugType":"small molecule","HalfLife":"","Description":"A nonfluorinated corticosteroid anti-inflammatory agent used topically for dermatoses. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the relief of the inflammatory and pruritic manifestations of corticosteroid responsive dermatose.","Toxicity":"","MechanismOfAction":"Like other topical corticosteroids, desonide has anti-inflammatory, antipruritic and vasoconstrictive properties. The drug binds to cytosolic glucocorticoid receptors. This complex migrates to the nucleus and binds to genetic elements on the DNA. This activates and represses various genes. However corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2.","Pharmacodynamics":"Desonide is a synthetic nonfluorinated corticosteroid for topical dermatologic use. The corticosteroids constitute a class of primarily synthetic steroids used topically as anti-inflammatory and antipruritic agents.","Absorption":"Topical corticosteroids can be absorbed from normal intact skin, inflammation and/or other disease processes in the skin may increase percutaneous absorption.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01261","Name":"Sitagliptin","DrugType":"small molecule","HalfLife":"12.4 hours","Description":"Sitagliptin is a new oral hypoglycemic (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. This enzyme-inhibiting drug is to be used either alone or in combination with metformin or a thiazolidinedione for control of type 2 diabetes mellitus. The drug works to competitively inhibit a protein/enzyme, dipeptidyl peptidase 4 (DPP-4), that results in an increased amount of active incretins (GLP-1 and GIP), reduced amount of release of glucagon (diminishes its release) and increased release of insulin.","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use as an adjunct to diet and exercise to improve glycemic control in patients with type 2 diabetes mellitus. Also for use in patients with type 2 diabetes mellitus to improve glycemic control in combination with metformin or a PPARγ agonist (e.g., thiazolidinediones) when the single agent alone, with diet and exercise, does not provide adequate glycemic control.","Toxicity":"","MechanismOfAction":"Sitagliptin is a highly selective DPP-4 inhibitor, which is believed to exert its actions in patients with type 2 diabetes by slowing the inactivation of incretin hormones, thereby increasing the concentration and prolonging the action of these hormones. Incretin hormones, including glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic polypeptide (GIP), are released by the intestine throughout the day, and levels are increased in response to a meal. These hormones are rapidly inactivated by the enzyme, DPP-4. The incretins are part of an endogenous system involved in the physiologic regulation of glucose homeostasis. When blood glucose concentrations are normal or elevated, GLP-1 and GIP increase insulin synthesis and release from pancreatic beta cells by intracellular signaling pathways involving cyclic AMP. GLP-1 also lowers glucagon secretion from pancreatic alpha cells, leading to reduced hepatic glucose production. By increasing and prolonging active incretin levels, sitagliptin increases insulin release and decreases glucagon levels in the circulation in a glucose-dependent manner. These changes lead to a decrease in hemoglobin A1c (HbA1c)levels, as well as a lower fasting and postprandial glucose concentration. Sitagliptin demonstrates selectivity for DPP-4 and does not inhibit DPP-8 or DPP-9 activity in vitro at concentrations approximating those from therapeutic doses.","Pharmacodynamics":"Sitagliptin is an orally-active member of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. The benefit of this medicine is expected to be its lower side-effects of hypoglycemia in the control of blood glucose values. The drug works to diminish the effects of a protein/enzyme (by the inhibition of this protein/enzyme) on the pancreas at the level of release of glucagon (diminishes its release) and at the level of insulin (increases its synthesis and release) until blood glucose levels are restored toward normal, in which case the protein/enzyme-enzyme inhibitor becomes less effective and the amounts of insulin released diminishes thus diminishing the \"overshoot\" of hypoglycemia seen in other oral hypoglycemic agents.","Absorption":"Rapidly absorbed following oral administration, with an absolute bioavailability of 87%.","Interactions":[{"ID":"DB00052"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01262","Name":"Decitabine","DrugType":"small molecule","HalfLife":"The terminal phase elimination half-life is 0.51 \u0026plusmn; 0.31 hours.","Description":"Decitabine is indicated for treatment of patients with myelodysplastic syndrome (MDS). It is a chemical analogue of cytidine, a nucleoside present in DNA and RNA. Cells in the presence of Decitabine incorporate it into DNA during replication and RNA during transcription. The incorporation of Decitabine into DNA or RNA inhibits methyltransferase thereby causing demethylation in that sequence. This adversely affects the way that cell regulatory proteins are able to bind to the DNA/RNA substrate.","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For treatment of patients with myelodysplastic syndromes (MDS) including previously treated and untreated, de novo and secondary MDS of all French-American-British subtypes (refractory anemia, refractory anemia with ringed sideroblasts, refractory anemia with excess blasts, refractory anemia with excess blasts in transformation, and chronic myelomonocytic leukemia) and intermediate-1, intermediate-2, and high-risk International Prognostic Scoring System groups (scores ≥0.5).","Toxicity":"There is no known antidote for overdosage with decitabine. Higher doses are associated with increased myelosuppression including prolonged neutropenia and thrombocytopenia.\r\n","MechanismOfAction":"Decitabine is believed to exert its antineoplastic effects following its conversion to decitabine triphosphate, where the drug directly incorporates into DNA and inhibits DNA methyltransferase, the enzyme that is responsible for methylating newly synthesized DNA in mammalian cells. This results in hypomethylation of DNA and cellular differentiation or apoptosis. Decitabine inhibits DNA methylation in vitro, which is achieved at concentrations that do not cause major suppression of DNA synthesis. Decitabine-induced hypomethylation in neoplastic cells may restore normal function to genes that are critical for the control of cellular differentiation and proliferation. In rapidly dividing cells, the cytotoxicity of decitabine may also be attributed to the formation of covalent adducts between DNA methyltransferase and decitabine that has been incorporated into DNA. Non-proliferating cells are relatively insensitive to decitabine. Decitabine is cell cycle specific and acts peripherally in the S phase of the cell cycle. It does not inhibit the progression of cells from the G1 to S phase.","Pharmacodynamics":"Decitabine is an analogue of the natural nucleoside 2’-deoxycytidine. It functions in the same way as 5-Azacytidine. The antineoplastic activity of this drug is dependent on its intracellular conversion to its 5'-triphosphate metabolite.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01263","Name":"Posaconazole","DrugType":"small molecule","HalfLife":"Posaconazole is eliminated with a mean half-life (t\u0026frac12;) of 35 hours (range 20 to 66 hours).","Description":"Posaconazole is a triazole antifungal drug that is used to treat invasive infections by Candida species and Aspergillus species in severely immunocompromised patients.","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"For prophylaxis of invasive \u003cem\u003eAspergillus\u003c/em\u003e and \u003cem\u003eCandida\u003c/em\u003e infections in patients, 13 years of age and older, who are at high risk of developing these infections due to being severely immunocompromised as a result of procedures such as hematopoietic stem cell transplant (HSCT) recipients with graft-versus-host disease (GVHD), or due to hematologic malignancies with prolonged neutropenia from chemotherapy. Also for the treatment of oropharyngeal candidiasis, including oropharyngeal candidiasis refractory to itraconazole and/or fluconazole. Posaconazole is used as an alternative treatment for invasive aspergillosis, \u003cem\u003eFusarium\u003c/em\u003e infections, and zygomycosis in patients who are intolerant of, or whose disease is refractory to, other antifungals.","Toxicity":"During the clinical trials, some patients received posaconazole up to 1600 mg/day with no adverse events noted that were different from the lower doses. In addition, accidental overdose was noted in one patient who took 1200 mg BID for 3 days. No related adverse events were noted by the investigator.","MechanismOfAction":"As a triazole antifungal agent, posaconazole exerts its antifungal activity through blockage of the cytochrome P-450 dependent enzyme, sterol 14\u0026alpha;-demethylase, in fungi by binding to the heme cofactor located on the enzyme. This leads to the inhibition of the synthesis of ergosterol, a key component of the fungal cell membrane, and accumulation of methylated sterol precursors. This results in inhibition of fungal cell growth and ultimately, cell death.","Pharmacodynamics":"Posaconazole is an antifungal agent structurally related to itraconazole. It is a drug derived from itraconzaole through the replacement of the chlorine substituents with flourine in the phenyl ring, as well as hydroxylation of the triazolone side chain. These modifications enhance the potency and spectrum of activity of the drug. Posaconazole can be either fungicial or fungistatic in action.","Absorption":"Posaconazole is absorbed with a median Tmax of approximately 3 to 5 hours.","Interactions":[{"ID":"DB06605"},{"ID":"DB00637"},{"ID":"DB01558"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB00320"},{"ID":"DB00696"},{"ID":"DB01320"},{"ID":"DB01218"},{"ID":"DB08820"},{"ID":"DB00247"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB08901"},{"ID":"DB00908"},{"ID":"DB08896"},{"ID":"DB00615"},{"ID":"DB06228"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01264","Name":"Darunavir","DrugType":"small molecule","HalfLife":"The terminal elimination half-life of darunavir was approximately 15 hours when combined with ritonavir.","Description":"Darunavir is a protease inhibitor used to treat HIV. It acts on the HIV aspartyl protease which the virus needs to cleave the HIV polyprotein into its functional fragments.","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Darunavir, co-administered with ritonavir, and with other antiretroviral agents, is indicated for the treatment of human immunodeficiency virus (HIV) infection in antiretroviral treatment-experienced adult patients, such as those with HIV-1 strains resistant to more than one protease inhibitor.","Toxicity":"","MechanismOfAction":"Darunavir is a HIV protease inhibitor which prevents HIV replication by binding to the enzyme's active site, thereby preventing the dimerization and the catalytic activity of the HIV-1 protease. Darunavir selectively inhibits the cleavage of HIV encoded Gag-Pol polyproteins in virus-infected cells, which prevents the formation of mature infectious virus particles. Structual analyses suggests that the close contact that darunavir has with the main chains of the protease active site amino acids (Asp-29 and Asp-30) is an important contributing factor to its potency and wide spectrum of activity against multi-protease inhibitor resistant HIV-1 variants. Darunavir can also adapt to the changing shape of a protease enzyme because of its molecular flexibility. Darunavir is known to bind to two distinct sites on the enzyme: the active site cavity and the surface of one of the flexible flaps in the protease dimer.","Pharmacodynamics":"Darunavir is an inhibitor of the human immunodeficiency virus (HIV) protease. In studies, the drug, co-administered with ritonavir in combination therapy, significantly reduced viral load and increased CD4 cell counts in this treatment-experienced patient population (Tibotec, 2006, Product Monograph, Prezista 2006). Darunavir is used as an adjunct therapy with low dose ritonavir, which inhibits cytochrome P450 3A (CYP3A) which increases the bioavailability and half life of darunavir. ","Absorption":"The absolute oral bioavailability of a single 600 mg dose of darunavir alone and after co-administration with 100 mg ritonavir twice daily was 37% and 82%, respectively.","Interactions":[{"ID":"DB01048"},{"ID":"DB01558"},{"ID":"DB01211"},{"ID":"DB01219"},{"ID":"DB06414"},{"ID":"DB00281"},{"ID":"DB01601"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB01232"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00906"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01265","Name":"Telbivudine","DrugType":"small molecule","HalfLife":"Approximately 15 hours.","Description":"Telbivudine is a synthetic thymidine nucleoside analog with specific activity against the hepatitis B virus. Telbivudine is orally administered, with good tolerance, lack of toxicity and no dose-limiting side effects.","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of chronic hepatitis B in adult and adolescent patients ≥16 years of age with evidence of viral replication and either evidence of persistent elevations in serum aminotransferases (ALT or AST) or histologically active disease.","Toxicity":"There is no information on intentional overdose of telbivudine, but one subject experienced an unintentional and asymptomatic overdose. Healthy subjects who received telbivudine doses up to 1800 mg/day for 4 days had no increase in or unexpected adverse events. A maximum tolerated dose for telbivudine has not been determined.","MechanismOfAction":"Telbivudine 5'–triphosphate inhibits HBV DNA polymerase (reverse transcriptase) by competing with the natural substrate, thymidine 5'–triphosphate. This leads to the chain termination of DNA synthesis, thereby inhibiting viral replication. Incorporation of telbivudine 5'–triphosphate into viral DNA also causes DNA chain termination, resulting in inhibition of HBV replication. Telbivudine inhibits anticompliment or second-strand DNA.","Pharmacodynamics":"Telbivudine is a synthetic thymidine nucleoside analogue with activity against hepatitis B virus (HBV). Telbivudine is the unmodified β–L enantiomer of the naturally occurring nucleoside, thymidine. It undergoes phosphorylation via interaction with cellular kinases to form the active metabolite, telbivudine 5'-triphosphate.","Absorption":"Absorbed following oral administration. Telbivudine absorption and exposure were unaffected when a single 600–mg dose was administered with a high–fat (~55 g), high–calorie (~950 kcal) meal.","Interactions":[{"ID":"DB00008"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01266","Name":"Kunecatechins","DrugType":"small molecule","HalfLife":"","Description":"Kunecatechins is a partially purified fraction of the water extract of green tea leaves from Camellia sinensis (L.) O Kuntze. Kunecatechins are involved in the clearance of genital and perianal warts.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the topical treatment of external genital and perianal warts (Condylomata acuminata) in immunocompetent patients 18 years and older.","Toxicity":"","MechanismOfAction":"While the exact mechanism of action of catechins is unknown, they are powerful anti-oxidants and are linked to to evidence of fighting tumors as well as enhancing immune system function.","Pharmacodynamics":"Veregen is a botanical drug product for topical use. The drug substance in Veregen is Kunecatechins, which is a partially purified fraction of the water extract of green tea leaves from \u003cem\u003eCamellia sinensis O Kuntze\u003c/em\u003e, and is a mixture of catechins and other green tea components. Veregen was approved by the FDA in October 2006.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB01267","Name":"Paliperidone","DrugType":"small molecule","HalfLife":"The terminal elimination half-life of paliperidone is approximately 23 hours.","Description":"Paliperidone is the primary active metabolite of the older antipsychotic risperidone. While its specific mechanism of action is unknown, it is believed that paliperidone and risperidone act via similar if not the same pathways. It has been proposed that the drug's therapeutic activity in schizophrenia is mediated through a combination of central dopamine Type 2 (D2) and serotonin Type 2 (5HT2A) receptor antagonism. Paliperidone is also active as an antagonist at alpha 1 and alpha 2 adrenergic receptors and H1 histaminergic receptors, which may explain some of the other effects of the drug. Paliperidone was approved by the FDA for treatment of schizophrenia on December 20, 2006.","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"For the treatment of schizophrenia.","Toxicity":"The possibility of obtundation, seizures, or dystonic reaction of the head and neck following overdose may create a risk of aspiration with induced emesis. ","MechanismOfAction":"Paliperidone is the major active metabolite of risperidone. The mechanism of action of paliperidone, as with other drugs having efficacy in schizophrenia, is unknown, but it has been proposed that the drug's therapeutic activity in schizophrenia is mediated through a combination of central dopamine Type 2 (D2) and serotonin Type 2 (5HT2A) receptor antagonism.","Pharmacodynamics":"Paliperidone is an atypical antipsychotic developed by Janssen Pharmaceutica. Chemically, paliperidone is primary active metabolite of the older antipsychotic risperidone (paliperidone is 9-hydroxyrisperidone). While its specific mechanism of action is unknown, it is believed paliperidone and risperidone act via similar, if not the same, pathways.","Absorption":"The absolute oral bioavailability of paliperidone following paliperidone administration is 28%.","Interactions":[{"ID":"DB00915"},{"ID":"DB00714"},{"ID":"DB01200"},{"ID":"DB01235"},{"ID":"DB01403"},{"ID":"DB01233"},{"ID":"DB00413"},{"ID":"DB00734"},{"ID":"DB00268"},{"ID":"DB00382"},{"ID":"DB04844"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01268","Name":"Sunitinib","DrugType":"small molecule","HalfLife":"Following administration of a single oral dose in healthy volunteers, the terminal half-lives of sunitinib and its primary active metabolite are approximately 40 to 60 hours and 80 to 110 hours, respectively.","Description":"Sunitinib is an oral, small-molecule, multi-targeted receptor tyrosine kinase (RTK) inhibitor that was approved by the FDA for the treatment of renal cell carcinoma (RCC) and imatinib-resistant gastrointestinal stromal tumor (GIST) on January 26, 2006. Sunitinib inhibits cellular signaling by targeting multiple RTKs. These include all platelet-derived growth factor receptors (PDGF-R) and vascular endothelial growth factor receptors (VEGF-R). Sunitinib also inhibits KIT (CD117), the RTK that drives the majority of GISTs. In addition, sunitinib inhibits other RTKs including RET, CSF-1R, and flt3.","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"For the treatment of advanced renal cell carcinoma as well as the treatment of gastrointestinal stromal tumor after disease progression on or intolerance to imatinib mesylate.","Toxicity":"The maximally tolerated dose for rat, mouse, and dog when given orally is greater than 500 mg/kg. The maximally tolerated dose of a non-human primate is greater 1200 mg/kg. ","MechanismOfAction":"Sunitinib is a small molecule that inhibits multiple RTKs, some of which are implicated in tumor growth, pathologic angiogenesis, and metastatic progression of cancer. Sunitinib was evaluated for its inhibitory activity against a variety of kinases (\u003e80 kinases) and was identified as an inhibitor of platelet-derived growth factor receptors (PDGFRa and PDGFRb), vascular endothelial growth factor receptors (VEGFR1, VEGFR2 and VEGFR3), stem cell factor receptor (KIT), Fms-like tyrosine kinase-3 (FLT3), colony stimulating factor receptor Type 1 (CSF-1R), and the glial cell-line derived neurotrophic factor receptor (RET). Sunitinib inhibition of the activity of these RTKs has been demonstrated in biochemical and cellular assays, and inhibition of function has been demonstrated in cell proliferation assays. The primary metabolite exhibits similar potency compared to sunitinib in biochemical and cellular assays.","Pharmacodynamics":"Sunitinib is an oral, small-molecule, multi-targeted receptor tyrosine kinase (RTK) inhibitor that was approved by the FDA on January 26, 2006. ","Absorption":"Maximum plasma concentrations (Cmax) of sunitinib are generally observed between 6 and 12 hours (Tmax) following oral administration. Food has no effect on the bioavailability of sunitinib. Sunitinib may be taken with or without food. The pharmacokinetics were similar in healthy volunteers and in the solid tumor patient populations tested, including patients with GIST and RCC.","Interactions":[{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB00112"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB01234"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB01623"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00072"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000166","Name":"Sunitinib Malate "}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01269","Name":"Panitumumab","DrugType":"biotech","HalfLife":"7.5 days (range: 4-11 days)","Description":"Panitumumab (ABX-EGF) is a recombinant human IgG2 monoclonal antibody that binds specifically to the human epidermal growth factor receptor (EGFR). This drug is an antineoplastic agent.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of EGFR-expressing, metastatic colorectal carcinoma that is refractory to fluoropyrimidine-, oxaliplatin-, and irinotecan- containing chemotherapy regimens.","Toxicity":"Panitumumab was shown to cause skin, ocular and mucosal related toxicities in 90% of patients receiving panitumumab. Subsequent to the development of severe dermatologic toxicities, infectious complications, including sepsis, septic death, and abscesses requiring incisions and drainage, were reported.","MechanismOfAction":"Panitumumab binds specifically to EGFR on both normal and tumor cells, and competitively inhibits the binding of ligands for EGFR. Nonclinical studies show that binding of panitumumab to the EGFR prevents ligand-induced receptor autophosphorylation and activation of receptor-associated kinases, resulting in inhibition of cell growth, induction of apoptosis, decreased pro-inflammatory cytokine and vascular growth factor production, and internalization of the EGFR.","Pharmacodynamics":"Panitumumab is a recombinant, human IgG2 kappa monoclonal antibody that binds specifically to the human Epidermal Growth Factor Receptor (EGFR). EGFR is a transmembrane glycoprotein that belongs to the subfamily of type I receptor tyrosine kinases. Although EGFR is expressed in normal cells, the overexpression of EGFR is detected in many human cancers, including those of the colon and rectum. Interaction of EGFR with its normal ligands causes phosphorylation and activation of a series of intracellular proteins that will in turn regulate the transcription of genes involved with cellular growth and survival, motility, and prolieration. Signal transduction through EGFR leads to the activation of the wild type KRAS gene, but the presence of an activating somatic mutation of the KRAS gene within a cancer cell can result in the dysregulation of signaling pathways and resistance to EGFR inhibitor therapy. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00475","Drugs":["DB01269"]}]},{"ID":"DB01270","Name":"Ranibizumab","DrugType":"biotech","HalfLife":"Approximately 9 days.","Description":"Ranibizumab is a recombinant humanized IgG1 kappa isotype monoclonal antibody fragment designed for intraocular use. Ranibizumab binds to and inhibits the biologic activity of human vascular endothelial growth factor A (VEGF-A). Ranibizumab has a molecular weight of approximately 48 kilodaltons and is produced by an E. coli expression system in a nutrient medium containing the antibiotic tetracycline (tetracycline is not detectable in the final product). Ranibizumab is marketed under the name Lucentis®. It is indicated for the treatment of macular edema after retinal vein occlusion, age-related macular degeneration (wet), and diabetic macular edema.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of patients with macular edema after retinal vein occlusion, age-related macular degeneration (wet), and diabetic macular edema.\r\n","Toxicity":"The most common toxic effects to the eye are eye pain, vitreous floaters, increased intraocular pressure, conjunctival hemorrhage, intraocular inflammation, and foreign body sensation. Also arterial thromboembolic events have occurred in patients. \r\n","MechanismOfAction":"Ranibizumab binds to the receptor binding site of active forms of VEGF-A, including the biologically active, cleaved form of this molecule, VEGF\u003csub\u003e110\u003c/sub\u003e. The binding of ranibizumab to VEGF-A prevents the interaction of VEGF-A with its receptors (VEGFR1 and VEGFR2) on the surface of endothelial cells, reducing endothelial cell proliferation, vascular leakage, and new blood vessel formation.","Pharmacodynamics":"Ranibizumab is a recombinant humanized IgG1 kappa isotype monoclonal antibody fragment designed for intraocular use. Ranibizumab is a VEGF-A antagonist that binds to and inhibits the biologic activity of active forms of human VEGF-A, including the cleaved form (VEGF\u003csub\u003e110\u003c/sub\u003e). VEGF-A has been shown to cause neovascularization (angiogenesis) and an increase in vascular permeability, which is thought to contribute to the progression of the neovascular form of age-related macular degeneration (AMD). ","Absorption":"After monthly intravitreal injections, maximum serum concentrations are minimal around 0.3 ng/mL to 2.36 ng/mL.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01271","Name":"Idursulfase","DrugType":"biotech","HalfLife":"44 \u0026plusmn; 19 minutes","Description":"Idursulfase is a purified form of human iduronate-2-sulfatase, a lysosomal enzyme. Idursulfase is produced by recombinant DNA technology in a human cell line. Idursulfase is an enzyme that hydrolyzes the 2-sulfate esters of terminal iduronate sulfate residues from the glycosaminoglycans dermatan sulfate and heparan sulfate in the lysosomes of various cell types. Idursulfase is a 525-amino acid glycoprotein with a molecular weight of approximately 76 kilodaltons. The enzyme contains eight asparagine-linked glycosylation sites occupied by complex oligosaccharide structures. The enzyme activity of idursulfase is dependent on the post-translational modification of a specific cysteine to formylglycine.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Hunter syndrome in adults and children ages 5 and older.","Toxicity":"There is no experience with overdosage of Idursulfase in humans. Single intravenous doses of idursulfase up to 20 mg/kg were not lethal in male rats and cynomolgus monkeys (approximately 6.5 and 13 times, respectively, of the recommended human dose based on body surface area) and there were no clinical signs of toxicity.\r\n","MechanismOfAction":"Hunter's Syndrome is an X-linked recessive disease caused by insufficient levels of the lysosomal enzyme iduronate-2-sulfatase. This enzyme cleaves the terminal 2-O-sulfate moieties from the glycosaminoglycans (GAG) dermatan sulfate and heparan sulfate. Due to the missing or defective iduronate-2-sulfatase enzyme in patients with Hunter's Syndrome, GAG progressively accumulate in the lysosomes of a variety of cells, leading to cellular engorgement, organomegaly, tissue destruction and organ system dysfunction. Treatment of Hunter's Syndrome patients with idursulfase provides exogenous enzyme for uptake into cellular lysosomes. Targeting of idursulfase to the lysosome occurs by endocytosis from the cell surface. Mannose-6-phosphate (M6P) residues on the oligosaccharide chains allow specific binding of the enzymes to the M6P receptors on the cell surface, leading to cellular internalization of the enzyme, targeting to intracellular lysosomes and subsequent catabolism of accumulated GAG.","Pharmacodynamics":"Idursulfase is a purified form of the lysosomal enzyme human iduronate-2-sulfatase of recombinant DNA origin. It is designed to replace the natural enzyme, increasing catabolism of certain accumulated glycosaminoglycans (GAG), which abnormally accumulate in multiple tissue types in patients with mucopolysaccharidosis II (MPS-II, or Hunter syndrome).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01272","Name":"Alglucosidase alfa","DrugType":"biotech","HalfLife":"2.3 \u0026plusmn; 0.4 hours.","Description":"Aglucosidase alfa consists of the human enzyme acid alpha-glucosidase (GAA) which is essential for the degradation of glygogen to glucose in lysosomes. It is encoded by the most predominant of nine observed haplotypes of this gene. Aglucosidase alfa is produced by recombinant DNA technology in a Chinese hamster ovary cell line. Alglucosidase alfa degrades glycogen by catalyzing the hydrolysis of a-1,4- and a-1,6- glycosidic linkages of lysosomal glycogen. Structurally, Alglucosidase alfa is a glycoprotein with a calculated mass of 98,008 daltons for the 883 residue mature polypeptide chain, and a total mass of approximately 109,000 daltons, including carbohydrates. It is used for the treatment of Pompe disease (GAA deficiency) in infants and pediatric patients.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Pompe disease (GAA deficiency) in infants and pediatric patients.","Toxicity":"There have been no reports of overdose with alglucosidase alfa.","MechanismOfAction":"Alglucosidase alfa is designed to act as an exogenous source of GAA, acting to correct GAA deficiency that is the hallmark of Pompe disease. Alglucosidase alfa binds to mannose-6-phosphate receptors on the cell surface via carbohydrate groups on the GAA molecule, after which it is internalized and transported into lysosomes, where it undergoes proteolytic cleavage that results in increased enzymatic activity. It then exerts enzymatic activity in cleaving glycogen. Specifically, it hydrolyses alpha-1,4-glucose bonds.\r\n\r\n","Pharmacodynamics":"Pompe disease (glycogen storage disease type II, GSD II, glycogenosis type II, acid maltase deficiency) is an inherited disorder of glycogen metabolism caused by the absence or marked deficiency of the lysosomal enzyme GAA. In the infantile-onset form, Pompe disease results in intralysosomal accumulation of glycogen in various tissues, particularly cardiac and skeletal muscles, and hepatic tissues, leading to the development of cardiomyopathy, progressive muscle weakness, and impairment of respiratory function. In the juvenile- and adult-onset forms, intralysosomal accumulation of glycogen is limited primarily to skeletal muscle, resulting in progressive muscle weakness. Death in all forms is usually related to respiratory failure. Alglucosidase alfa provides an exogenous source of GAA. Binding to mannose-6-phosphate receptors on the cell surface has been shown to occur via carbohydrate groups on the GAA molecule, after which it is internalized and transported into lysosomes, where it undergoes proteolytic cleavage that results in increased enzymatic activity. It then exerts enzymatic activity in cleaving glycogen.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01273","Name":"Varenicline","DrugType":"small molecule","HalfLife":"The elimination half-life of varenicline is approximately 24 hours","Description":"Varenicline is a prescription medication used to treat smoking addiction. This medication is the first approved nicotinic receptor partial agonist. Specifically, varenicline is a partial agonist of the alpha4/beta2 subtype of the nicotinic acetylcholine receptor. In addition it acts on alpha3/beta4 and weakly on alpha3beta2 and alpha6-containing receptors. A full agonism was displayed on alpha7-receptors.\r\n\r\nOn March 9, 2015, the U.S. Food and Drug Administration warned that Varenicline, in the form of Pfizer Inc's quit-smoking drug, Chantix, has been associated with seizures and that some patients who drink while taking the drug may become aggressive or black out. Pfizer is conducting an additional safety study of the drug, results of which are expected in late 2015. The FDA said it is keeping the black box in place at least until the results of the trial are announced.","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"For use as an aid in smoking cessation.","Toxicity":"","MechanismOfAction":"Varenicline is an alpha-4 beta-2 neuronal nicotinic acetylcholine receptor partial agonist. The drug shows high selectiviyty for this receptor subclass, relative to other nicotinic receptors (\u003e500-fold alpha-3 beta-4, \u003e3500-fold alpha-7, \u003e20,000-fold alpha-1 beta gamma delta) or non-nicotinic receptors and transporters (\u003e2000-fold). The drug competitively inhibits the ability of nicotine to bind to and activate the alpha-4 beta-2 receptor. The drug exerts mild agonistic activity at this site, though at a level much lower than nicotine; it is presumed that this activation eases withdrawal symptoms.","Pharmacodynamics":"Varenicline is a partial nicotinic acetylcholine receptor agonist, designed to partially activate this system while displacing nicotine at its sites of action in the brain.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000548","Name":"Varenicline tartrate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01274","Name":"Arformoterol","DrugType":"small molecule","HalfLife":"In COPD patients given 15 mcg inhaled arformoterol twice a day for 14 days, the mean terminal half-life of arformoterol was 26 hours.","Description":"Arformoterol is a bronchodilator. It works by relaxing muscles in the airways to improve breathing. Arformoterol inhalation is used to prevent bronchoconstriction in people with chronic obstructive pulmonary disease, including chronic bronchitis and emphysema. The use of arformoterol is pending revision due to safety concerns in regards to an increased risk of severe exacerbation of asthma symptoms, leading to hospitalization as well as death in some patients using long acting beta agonists for the treatment of asthma.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"A bronchodilator used for the long term, symptomatic treatment of reversible bronchoconstriction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and emphysema. ","Toxicity":"A death was reported in dogs after a single oral dose of 5 mg/kg (approximately 4500 times the maximum recommended daily inhalation dose in adults on a mg/m2 basis). As with all inhaled sympathomimetic medications, cardiac arrest and even death may be associated with an overdose.","MechanismOfAction":"While it is recognized that β2-receptors are the predominant adrenergic receptors in bronchial smooth muscle and β1-receptors are the predominant receptors in the heart, data indicate that there are also β2-receptors in the human heart comprising 10% to 50% of the total beta-adrenergic receptors. The precise function of these receptors has not been established, but they raise the possibility that even highly selective β2-agonists may have cardiac effects. The pharmacologic effects of β2-adrenoceptor agonist drugs, including arformoterol, are at least in part attributable to stimulation of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic-3\u0026prime;,5\u0026prime;-adenosine monophosphate (cyclic AMP). Increased intracellular cyclic AMP levels cause relaxation of bronchial smooth muscle and inhibition of release of proinflammatory mediators from cells, especially from mast cells. In vitro tests show that arformoterol is an inhibitor of the release of mast cell mediators, such as histamine and leukotrienes, from the human lung. Arformoterol also inhibits histamine-induced plasma albumin extravasation in anesthetized guinea pigs and inhibits allergen-induced eosinophil influx in dogs with airway hyper-response.","Pharmacodynamics":"Arformoterol, the active (R,R)-enantiomer of formoterol, is a selective long-acting β2-adrenergic receptor agonist (beta2-agonist) that has two-fold greater potency than racemic formoterol (which contains both the (S,S) and (R,R)-enantiomers). The (S,S)-enantiomer is about 1,000-fold less potent as a β2-agonist than the (R,R)-enantiomer. Arformoterol seems to have little or no effect on β1-adrenergic receptors.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01275","Name":"Hydralazine","DrugType":"small molecule","HalfLife":"3 to 7 hours","Description":"A direct-acting vasodilator that is used as an antihypertensive agent. [PubChem]","Classification":{"Description":"This compound belongs to the phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.","DirectParent":"Phthalazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Phthalazines"},"Indication":"For the treatment of essential hypertension, alone or as an adjunct. Also for the management of severe hypertension when the drug cannot be given orally or when blood pressure must be lowered immediately, congestive heart failure (in combination with cardiac glycosides and diuretics and/or with isosorbide dinitrate), and hypertension secondary to pre-eclampsia/eclampsia.","Toxicity":"Oral LD50 in rats: 173 and 187 mg/kg","MechanismOfAction":"Although the precise mechanism of action of hydralazine is not fully understood, the major effects are on the cardiovascular system. Hydralazine apparently lowers blood pressure by exerting a peripheral vasodilating effect through a direct relaxation of vascular smooth muscle. It has also been suggested that cyclic 3',5'-adenosine monophosphate (cyclic AMP) mediates, at least partly, the relaxation of arterial smooth muscle by altering cellular calcium metabolism, which interferes with the calcium movements within the vascular smooth muscle that are responsible for initiating or maintaining the contractile state. In hypertensive patients, the hydralazine-induced decrease in blood pressure is accompanied by increased heart rate, cardiac output, and stroke volume, probably because of a reflex response to decreased peripheral resistance. The drug has no direct effect on the heart. Hydralazine may increase pulmonary arterial pressure, as well as coronary, splanchnic, cerebral, and renal blood flow. The preferential dilatation of arterioles, as compared to veins, minimizes postural hypotension and promotes the increase in cardiac output. Hydralazine usually increases renin activity in plasma, presumably as a result of increased secretion of renin by the renal juxtaglomerular cells in response to reflex sympathetic discharge. This increase in renin activity leads to the production of angiotensin II, which then causes stimulation of aldosterone and consequent sodium reabsorption. Tolerance to the antihypertensive effect of the drug develops during prolonged therapy, especially if a diuretic is not administered concurrently. In patients with CHF, hydralazine decreases systemic vascular resistance and increases cardiac output.","Pharmacodynamics":"A vasodilator, hydralazine works by relaxing blood vessels (arterioles more than venules) and increasing the supply of blood and oxygen to the heart while reducing its workload. It also functions as an antioxidant. It inhibits membrane-bound enzymes that form reactive oxygen species, such as superoxides. Excessive superoxide counteracts NO-induced vasodilation. It is commonly used in the condition of pregnancy called preeclampsia.","Absorption":"Hydralazine is rapidly and extensively absorbed (up to 90%) from the gastrointestinal tract and undergoes extensive first-pass metabolism by genetic polymorphic acetylation. Oral bioavailability of hydralazine is dependent upon acetylator phenotype. Bioavailability is approximately 31% in slow acetylators and 10% in fast acetylators.","Interactions":[{"ID":"DB00264"},{"ID":"DB00571"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000792","Name":"Hydralazine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01276","Name":"Exenatide","DrugType":"biotech","HalfLife":"Mean terminal half-life is 2.4 hours.","Description":"Exenatide, derived from a compound found in the saliva of the Gila monster, a large lizard native to the southwestern US, is a functional analog of Glucagon-Like Peptide-1 (GLP-1), a naturally occuring peptide.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Indicated as adjunctive therapy to improve glycemic control in patients with Type 2 diabetes mellitus who are taking metformin, a sulfonylurea, or a combination of both, but have not achieved adequate glycemic control.","Toxicity":"Effects of the overdoses included severe nausea, severe vomiting, and rapidly declining blood glucose concentrations.","MechanismOfAction":"Exenatide is a functional analog of the human incretin Glucagon-Like Peptide-1 (GLP-1). Incretins enhance glucose-dependent insulin secretion and exhibit other antihyperglycemic actions following their release into the circulation from the gut. The GLP-1 system increases insulin secretion only in the presence of elevated plasma glucose levels, avoiding inappropriately high insulin levels during fasting. The drug also moderates peak serum glucagon levels during hyperglycemic periods following meals, but does not interfere with glucagon release in response to hypoglycemia. Secondary effects of drug administration reduces the rate of gastric emptying and decreases food intake, mitigating the potential severity of hyperglycemic events after meals.","Pharmacodynamics":"Exenatide is an incretin mimetic, which has glucoregulatory effects. While it is has blood-sugar lowering actions alone, it can also be combined with other medications such as pioglitazone, metformin, sulfonylureas, and/or insulin to improve glucose control. The approved use of exenatide is with either sulfonylureas, metformin and thiazolinediones. The medication is injected twice per day using a pre-filled pen device. Typical human responses to exenatide plus eating include improvements in the initial rapid release of endogenous insulin, suppression of glucagon release by the pancreas, regulation of gastric empyting and reduced appetite; all behaviors more typical of individuals without blood sugar control problems. Exenatide is self-regulating in that in lowers blood sugar when levels are elevated but does not continue to lower blood sugar when levels return to normal, unlike with sulfonylureas or insulins.","Absorption":"Following subcutaneous administration to patients with type 2 diabetes, exenatide reaches median peak plasma concentrations in 2.1 hours.","Interactions":[{"ID":"DB08822"},{"ID":"DB01406"},{"ID":"DB00082"},{"ID":"DB00052"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01277","Name":"Mecasermin","DrugType":"biotech","HalfLife":"2 hours","Description":"Mecasermin contains recombinant-DNA-engineered human insulin-like growth factor-1 (rhIGF-1). IGF-1 consists of 70 amino acids in a single chain with three intramolecular disulfide bridges and a molecular weight of 7649 daltons. The amino acid sequence of the product is identical to that of endogenous human IGF-1. The rhIGF-1 protein is synthesized in bacteria (E. coli) that have been modified by the addition of the gene for human IGF-1.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the long-term treatment of growth failure in pediatric patients with Primary IGFD or with GH gene deletion who have developed neutralizing antibodies to GH. It is not indicated to treat Secondary IGFD resulting from GH deficiency, malnutrition, hypothyroidism or other causes; it is not a substitute for GH therapy.","Toxicity":"There is no clinical experience with overdosage of mecasermin. Based on known pharmacological effects, acute overdosage would be predicted to lead to hypoglycemia. Long-term overdosage may result in signs and symptoms of acromegaly.","MechanismOfAction":"Mecasermin supplies recombinant-DNA-origin IGF-1, which binds to the Type I IGF-1 receptor. This receptor exerts intra-cellular signaling activity in a number of processes involved in statural growth, including mitogenesis in multiple tissue types, chondrocyte growth and division along cartilage growth plates, and increases in organ growth. ","Pharmacodynamics":"Mecasermin is a biosynthetic (recombinant DNA origin) form of human insulin growth factor 1 (IGF-1) designed to replace natural IGF-1 in pediatric patients who are deficient, promoting normalized statural growth. Growth hormones (GH) bind to growth hormone receptors (GHR) in the liver and other tissues, which stimulates the synthesis of IGF-1. In target tissues, IGF-1 activates the IGF-1 receptor, resulting in intracellular signals that stimulate growth. Although many actions of the GH are mediated through IGF-1, the precise roles of GH and IGF-1 have not been fully elucidated. Patients with severe primary IGF-1 deficiency (Primary IGFD) fail to produce adequate levels of IGF-1, due to disruption of the GH pathway used to promote IGF-1 release (possible GH pathway disruptions include mutations in the GHR, post-GHR signaling pathway, and IGF-1 gene defects). ","Absorption":"While the bioavailability of rhIGF-1 after subcutaneous administration in healthy subjects has been reported to be close to 100%, the absolute bioavailability of mecasermin given subcutaneously to subjects with primary insulin-like growth factor-1 deficiency (Primary IGFD) has not been determined.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01278","Name":"Pramlintide","DrugType":"biotech","HalfLife":"Approximately 48 minutes","Description":"Pramlintide is a relatively new adjunct treatment for diabetes (both type 1 and 2), developed by Amylin Pharmaceuticals. It is derived from amylin, a hormone that is released into the bloodstream, in a similar pattern as insulin, after a meal. Like insulin, amylin is deficient in individuals with diabetes.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of type 1 and type 2 diabetes mellitus as an adjunct to preprandial insulin therapy in patients without adequate glycemic control of insulin therapy.","Toxicity":"","MechanismOfAction":"Pramlintide is an amlyinomimetic, a functional analog of the naturally occurring pancreatic hormone amylin. Amylin has activity in a number of gastrointestinal and glucodynamic systems, and by mimicking its activity, pramlintide acts to improve glycemic control through modulation of the rate of gastric emptying, prevention of post-prandial rise in glucagon levels, and by increasing sensations of satiety, thereby reducing caloric intake and potentiating weight loss. There appears to be at least three distinct receptor complexes that bind with high affinity to amylin. All three complexes contain the calcitonin receptor at the core, plus one of three Receptor activity-modifying proteins, RAMP1, RAMP2, or RAMP3.","Pharmacodynamics":"Pramlintide is a synthetic analog of amylin, a glucoregulatory hormone that is synthesized by pancreatic β-cells and released into the bloodstream, in a similar pattern as insulin, after a meal. Like insulin, amylin is deficient in individuals with diabetes. It is provided as an acetate salt. Pramlintide is a 37-amino acid polypeptide that differs structurally from human amylin by the replacement of alanine, serine, and serine at positions 25, 28, and 29 respectively with proline.","Absorption":"The absolute bioavailability of a single subcutaneous dose of pramlintide is approximately 30 to 40%.","Interactions":[{"ID":"DB08897"},{"ID":"DB01246"},{"ID":"DB00748"},{"ID":"DB00771"},{"ID":"DB00366"},{"ID":"DB00046"},{"ID":"DB01623"},{"ID":"DB01409"},{"ID":"DB01036"},{"ID":"DB00752"},{"ID":"DB00376"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000144","Name":"Pramlintide acetate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01279","Name":"Galsulfase","DrugType":"biotech","HalfLife":"9 (6 to 21) minutes during the first week of treatment, 26 (8 to 40) minutes by the 24th week.","Description":"Galsufase is a variant form of the polymorphic human enzyme N-acetylgalactosamine 4-sulfatase of recombinant DNA origin. Galsulfase is a glycoprotein with a molecular weight of approximately 56 kD. The recombinant protein is comprised of 495 amino acids and contains six asparagine-linked glycosylation sites, four of which carry a bis mannose-6-phosphate manose7 oligosaccharide for specific cellular recognition. Post-translational modification of Cys53 produces the catalytic amino acid residue Ca-formylglycine, which is required for enzyme activity and is conserved in all members of the sulfatase enzyme family.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of adults and children with Mucopolysaccharidosis VI.","Toxicity":"There is no experience with overdose of galsulfase.","MechanismOfAction":"Galsulfase supplies recombinant-engineered galsulfase, a normal variant form of the polymorphic human enzyme, N-acetylgalactosamine 4-sulfatase. It is a lysosomal hydrolase that catalyzes the cleavage of the sulfate ester from terminal N-acetylgalactosamine 4-sulfate residues of GAG chondroitin 4-sulfate and dermatan sulfate. Increased catabolism of GAG in turn reduces systemic dermatan sulfate accumulation, thereby reducing the primary symptoms of MPS VI.","Pharmacodynamics":"Mucopolysaccharide storage disorders are caused by the deficiency of specific lysosomal enzymes required for the catabolism of GAG. Mucopolysaccharidosis VI (MPS VI, Maroteaux-Lamy syndrome) is characterized by the absence or marked reduction in N-acetylgalactosamine 4-sulfatase. The sulfatase activity deficiency results in the accumulation of the GAG substrate dermatan sulfate, throughout the body. This accumulation leads to widespread cellular, tissue, and organ dysfunction. Galsulfase is intended to provide an exogenous enzyme that will be taken up into lysosomes and increase the catabolism of GAG. Galsulfase uptake by cells into lysosomes is most likely mediated by the binding of mannose-6-phosphate-terminated oligosaccharide chains of galsulfase to specific mannose-6-phosphate receptors.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01280","Name":"Nelarabine","DrugType":"small molecule","HalfLife":"Nelarabine and ara-G are rapidly eliminated from plasma with a half-life of approximately 30 minutes and 3 hours.","Description":"Nelarabine is a chemotherapy drug used in T-cell acute lymphoblastic leukemia. Nelarabine is a purine nucleoside analog converted to its corresponding arabinosylguanine nucleotide triphosphate (araGTP), resulting in inhibition of DNA synthesis and cytotoxicity.","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of pediatric and adult patients with acute T-cell lymphoblastic leukemia and T-cell lymphoblastic lymphoma whose disease has not responded to or has relapsed following treatment with at least two chemotherapy regimens.","Toxicity":"A single IV dose of 4,800 mg/m^2 was lethal in monkeys, and was associated with CNS signs including reduced/shallow respiration, reduced reflexes, and flaccid muscle tone. It is anticipated that overdosage would result in severe neurotoxicity (possibly including paralysis, coma), myelosuppression, and potentially death.","MechanismOfAction":"Once nelarabine is metabolized into ara-GTP, the metabolite accumulates in leukemic blasts and incorporates into DNA to exert its S phase-specific cytotoxic effects, leading to the induction of fragmentation and apoptosis. Ara-GTP competes with endogenous deoxyGTP (dGTP) for incorporation into DNA. Once ara-GTP is incorporated at the 3' end of DNA, further DNA elongation is inhibited, which signals apoptosis and leads to cellular destruction. Additional cytotoxic activities may exist, but these are not fully understood.","Pharmacodynamics":"Nelarabine is a prodrug of the cytotoxic deoxyguanosine analogue 9-\u0026szlig;-D-arabinofuranosylguanine (ara-G). Nelarabine is demethylated by adenosine deaminase (ADA) to ara-G. Ara-G is then transported into cells, where it undergoes three phosphorylation steps, resulting in the formation of ara-G triphosphate (ara-GTP). In the first phosphorylation step, ara-G is converted to ara-G monophosphate (ara-GMP). Ara-GMP is then monophosphorylated by deoxyguanosine kinase and deoxycytidine kinase to ara-G diphosphate, and then subsequently to the active ara-G triphosphate (ara-GTP). Ara-GTP is the one that exerts the pharmacological effect. Pre-clinical studies suggest that T-cells are particularly sensitive to nelarabine.","Absorption":"","Interactions":[{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01281","Name":"Abatacept","DrugType":"biotech","HalfLife":"16.7 (12-23) days in healthy subjects; \r\n13.1 (8-25) days in RA subjects;\r\n14.3 days when subcutaneously administered to adult RA patients. ","Description":"Abatacept is a soluble fusion protein, which links the extracellular domain of human cytotoxic T-lymphocyte-associated antigen 4 (CTLA-4) to the modified Fc (hinge, CH2, and CH3 domains) portion of human immunoglobulin G1 (IgG1). Structurally, abatacept is a glycosylated fusion protein with a MALDI-MS molecular weight of 92,300 Da and it is a homodimer of two homologous polypeptide chains of 357 amino acids each. It is produced through recombinant DNA technology in mammalian CHO cells. The drug has activity as a selective co-stimulation modulator with inhibitory activity on T lymphocytes. Although approved for the treatment of rheumatoid arthritis, Repligen has entered a slightly different formulation of CTLA4-Ig into clinical trials (RG2077).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the management of the signs and symptoms of moderate-to-severe active rheumatoid arthritis, inducing major clinical response, slowing the progression of structural damage, and improving physical function in adult patients. It is indicated both as a monotherapy and for use in combination with a continued regimen of DMARDs (not including TNF antagonists). Also used for the management of the signs and symptoms of moderately to severely active polyarticular juvenile idiopathic arthritis in children.","Toxicity":"Most common adverse events (≥10%) are headache, upper respiratory tract infection, nasopharyngitis, and nausea. Doses up to 50 mg/kg have been administered without apparent toxic effect.","MechanismOfAction":"Abatacept is a selective costimulation modulator, like CTLA-4, the drug has shown to inhibit T-cell (T lymphocyte) activation by binding to CD80 and CD86, thereby blocking interaction with CD28. Blockade of this interaction has been shown to inhibit the delivery of the second co-stimulatory signal required for optimal activation of T-cells. This results in the inhibition of autoimmune T-Cell activation that has been implcated in the pathogenesis of rheumatoid arthritis.","Pharmacodynamics":"Abatacept is the first in a new class of drugs known as Selective Co-stimulation Modulators. Known as a recombinant fusion protein, the drug consists of the extracellular domain of human cytotoxic T-lymphocyte-associated antigen 4 (CTLA-4) linked to a modified Fc portion of human immunoglobulin G\u003csub\u003e1\u003c/sub\u003e (IgG\u003csub\u003e1\u003c/sub\u003e. The Fc portion of the drug consists of the hinge region, the C\u003csub\u003eH\u003c/sub\u003e2 domain, and the C\u003csub\u003eH\u003c/sub\u003e3 domain of IgG\u003csub\u003e1\u003c/sub\u003e. Although there are multiple pathways and cell types involved in the pathogenesis of rheumatoid arthritis, evidence suggests that T-cell activation may play an important role in the immunopathology of the disease. Ordinarily, full T-cell activation requires binding of the T-cell receptor to an antigen-MHC complex on the antigen-presenting cell as well as a co-stimulatory signal provided by the binding of the CD28 protein on the surface of the T-cell with the CD80/86 proteins on the surface of the antigen-presenting cell. CTLA4 is a naturally occurring protein which is expressed on the surface of T-cells some hours or days after full T-cell activation and is capable of binding to CD80/86 on antigen-presenting cells with much greater affinity than CD28. Binding of CTLA4-Ig to CD80/86 provides a negative feedback mechanism which results in T-cell deactivation. Abatacept was developed by Bristol-Myers-Squibb and is licensed in the US for the treatment of Rheumatoid Arthritis in the case of inadequate response to anti-TNF-alpha therapy.","Absorption":"When a single 10 mg/kg intravenous infusion of abatacept is administered in healthy subjects, the peak plasma concentration (Cmax) was 292 mcg/mL. When multiple doses of 10 mg/kg was given to rheumatoid arthritis (RA) patients, the Cmax was 295 mcg/mL. The bioavailability of abatacept following subcutaneous administration relative to intravenous administration is 78.6%. ","Interactions":[{"ID":"DB00026"},{"ID":"DB08879"},{"ID":"DB08904"},{"ID":"DB06643"},{"ID":"DB00005"},{"ID":"DB06674"},{"ID":"DB00065"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB00073"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB01041"},{"ID":"DB06273"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01282","Name":"Carbetocin","DrugType":"small molecule","HalfLife":"40 minutes","Description":"Carbetocin is a drug used to control postpartum hemorrhage, bleeding after giving birth. It is an analogue of oxytocin, and its action is similar to that of oxytocin -- it causes contraction of the uterus.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used to control postpartum hemorrhage and bleeding after giving birth.","Toxicity":"","MechanismOfAction":"Carbetocin binds to oxytocin receptors present on the smooth musculature of the uterus, resulting in rhythmic contractions of the uterus, increased frequency of existing contractions, and increased uterine tone. The oxytocin receptor content of the uterus is very low in the non-pregnant state, and increases during pregnancy, reaching a peak at the time of delivery.","Pharmacodynamics":"Carbetocin is a drug used to control postpartum hemorrhage, bleeding after giving birth. It is sold under the trade name Duratocin. It is an analogue of oxytocin, and its action is similar to that of oxytocin; it causes contraction of the uterus.","Absorption":"Bioavailability is 80% following intramuscular injection.","Interactions":[{"ID":"DB00917"},{"ID":"DB00929"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01283","Name":"Lumiracoxib","DrugType":"small molecule","HalfLife":"Terminal half-life is approximately 4 hours.","Description":"Lumiracoxib is a COX-2 selective inhibitor non-steroidal anti-inflammatory drug. On August 11, 2007, Australia's Therapeutic Goods Administration (TGA, the Australian equivalent of the FDA) cancelled the registration of lumiracoxib in Australia due to concerns that it may cause liver failure. New Zealand and Canada have also followed suit in recalling the drug.","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"For the acute and chronic treatment of the signs and symptoms of osteoarthritis of the knee in adults.","Toxicity":"Single oral doses in mice and rats resulted in mortality and/or moribundity at doses of 600 mg/kg and 500 mg/kg, respectively. Single intraperitoneal doses in mice and rats results in mortality/moribundity at 750 mg/kg and 1000 mg/kg, respectively. The maximum non-lethal single oral and intraperitoneal dose in mouse was 300 mg/kg and 250 mg/kg, respectively. In the rat it was 150 mg/kg and 250 mg/kg, respectively.","MechanismOfAction":"The mechanism of action of lumiracoxib is due to inhibition of prostaglandin synthesis via inhibition of cyclooygenase-2 (COX-2). Lumiracoxib does not inhibit COX-1 at therapeutic concentrations.","Pharmacodynamics":"Lumiracoxib has a different structure from the standard COX-2 inhibitors (e.g. celecoxib). It more closely resembles the structure of diclofenac (one chlorine substituted by fluorine, the phenylacetic acid has another methyl group in meta position), making it a member of the arylalkanoic acid family of NSAIDs. It binds to a different site on the COX-2 receptor than the standard COX-2 inhibitors. It displays extremely high COX-2 selectivity.","Absorption":"Rapidly absorbed following oral administration, with an absolute oral bioavailablity of 74%.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB01356"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB01124"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00699","Drugs":["DB00142","DB00143","DB01283","DB01373","DB01593","DB04557"]}]},{"ID":"DB01284","Name":"Cosyntropin","DrugType":"biotech","HalfLife":"About 15 minutes following intravenous administration.","Description":"A synthetic peptide that is identical to the 24-amino acid segment at the N-terminal of adrenocorticotropic hormone. ACTH (1-24), a segment similar in all species, contains the biological activity that stimulates production of corticosteroids in the adrenal cortex.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use as a diagnostic agent in the screening of patients presumed to have adrenocortical insufficiency.","Toxicity":"","MechanismOfAction":"Cosyntropin combines with a specific receptor in the adrenal cell plasma membrane and, in patients with normal adrenocortical function, stimulates the initial reaction involved in the synthesis of adrenal steroids (including cortisol, cortisone, weak androgenic substances, and a limited quantity of aldosterone) from cholesterol by increasing the quantity of the substrate within the mitochondria. Cosyntropin does not significantly increase plasma cortisol concentration in patients with primary or secondary adrenocortical insufficiency. ","Pharmacodynamics":"Cosyntropin exhibits the full corticosteroidogenic activity of natural ACTH. Various studies have shown that the biologic activity of ACTH resides in the N- terminal portion of the molecule and that the 1-20 amino acid residue is the minimal sequence retaining full activity. Partial or complete loss of activity is noted with progressive shortening of the chain beyond 20 amino acid residue. For example, the decrement from 20 to 19 results in a 70% loss of potency. The pharmacologic profile of Cosyntropin is similar to that of purified natural ACTH. It has been established that 0.25 mg of Cosyntropin will stimulate the adrenal cortex maximally and to the same extent as 25 units of natural ACTH. Cosyntropin has less immunogenic activity than ACTH because the amino acid sequence having most of the antigenic activity of ACTH, i.e., amino acids 25-39, is not present in cosyntropin. The extra-adrenal effects which natural ACTH and Cosyntropin have in common include increased melanotropic activity, increased growth hormone secretion and an adipokinetic effect. These are considered to be without physiological or clinical significance.","Absorption":"Rapidly absorbed following intramuscular administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01285","Name":"Corticotropin","DrugType":"biotech","HalfLife":"About 15 minutes following intravenous administration.","Description":"Corticotropin (ACTH or adrenocorticotropic hormone) is a polypeptide hormone produced and secreted by the pituitary gland. It is an important player in the hypothalamic-pituitary-adrenal axis.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use as a diagnostic agent in the screening of patients presumed to have adrenocortical insufficiency.","Toxicity":"","MechanismOfAction":"As a diagnostic aid (adrenocortical function), corticotropin combines with a specific receptor on the adrenal cell plasma membrane. In patients with normal adrenocortical function, it stimulates the initial reaction involved in the synthesis of adrenal steroids (including cortisol, cortisone, weak androgenic substances, and a limited quantity of aldosterone) from cholesterol by increasing the quantity of cholesterol within the mitochondria. Corticotropin does not significantly increase serum cortisol concentrations in patients with primary adrenocortical insufficiency (Addison's disease). The mechanism of action of corticotropin in the treatment of infantile myoclonic seizures is unknown.","Pharmacodynamics":"Corticotropin acts through the stimulation of cell surface ACTH receptors, which are primarily located on the adrenocortical cells. Corticotropin stimulates the cortex of the adrenal gland and boosts the synthesis of corticosteroids, mainly glucocorticoids but also sex steroids (androgens). Corticotropin is also related to the circadian rhythm in many organisms.","Absorption":"Corticotropin is rapidly absorbed following intramuscular administration; the repository dosage form is slowly absorbed over approximately 8 to 16 hours.","Interactions":[{"ID":"DB00041"},{"ID":"DB00673"},{"ID":"DB06717"},{"ID":"DB01097"},{"ID":"DB00545"},{"ID":"DB00382"},{"ID":"DB00072"},{"ID":"DB01339"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01288","Name":"Fenoterol","DrugType":"small molecule","HalfLife":"","Description":"An adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Fenoterol is used for the treatment of asthma.","Toxicity":"Symptoms of overdose include angina (chest pain), dizziness, dry mouth, fatigue, flu-like symptoms, headache, heart irregularities, high or low blood pressure, high blood sugar, insomnia, muscle cramps, nausea, nervousness, rapid heartbeat, seizures, and tremor.","MechanismOfAction":"Beta(2)-receptor stimulation in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow.","Pharmacodynamics":"Fenoterol is a beta agonist designed to open up the airways to the lungs by decreasing bronchconstriction.","Absorption":"","Interactions":[{"ID":"DB01193"},{"ID":"DB00386"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00335"},{"ID":"DB00195"},{"ID":"DB01295"},{"ID":"DB00612"},{"ID":"DB00521"},{"ID":"DB01136"},{"ID":"DB01242"},{"ID":"DB01089"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00187"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00598"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00264"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB01203"},{"ID":"DB00540"},{"ID":"DB01580"},{"ID":"DB01626"},{"ID":"DB01359"},{"ID":"DB00780"},{"ID":"DB00960"},{"ID":"DB01297"},{"ID":"DB00571"},{"ID":"DB00344"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00489"},{"ID":"DB00373"},{"ID":"DB00752"},{"ID":"DB00726"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01289","Name":"Glisoxepide","DrugType":"small molecule","HalfLife":"","Description":"Glisoxepide is one of the sulphonamide-derived oral antidiabetic drugs. It inhibits the uptake of bile acids into isolated rat hepatocytes. However it inhibits taurocholate uptake only in the absence of sodium ions. Glisoxepide uptake could be further inhibited by blockers of the hepatocellular monocarboxylate transporter, by the loop diuretic bumetanide, by 4,4'-diisothiocyano-2,2'-stilbenedisulfonate (DIDS) and by sulphate. These results are consistent with the transport of glisoxepide via the transport system for the unconjugated bile acid cholate.\r\n(PMID:1618280, 9017793)\r\n","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"Glisoxepide is a hypoglycemic sulphonylurea agent. The sulphonylureas are a family of drugs based on a common sulphonylurea core. These drugs act via augmentation of secretion of insulin from pancreatic beta-cells. Sulphonylureas may also cause a reduction in serum glucagon and potentiate the action of insulin at the extrapancreatic tissues. Glisoxepide functions as a non-selective K(ATP) channel blocker. It is thought to stimulate insulin secretion by closing the ATP-sensitive K(+) (K(ATP)) channels (Kir6.2/SUR1 complex, KATP channels) in pancreatic beta-cells. This inhibits a tonic, hyperpolarizing efflux of potassium, thus causing the electric potential over the membrane to become more positive. This depolarization opens voltage-gated Ca2+ channels. The rise in intracellular calcium leads to increased fusion of insulin granulae with the cell membrane, and therefore increased secretion of (pro)insulin.","Pharmacodynamics":"Glisoxepide is a sulfonylurea agent. It stimulates beta cells of the islet of Langerhans in the pancreas to release insulin. It also enhances peripheral insulin sensitivity. Overall it potentiates insulin release and improves insulin dynamics.","Absorption":"","Interactions":[{"ID":"DB01193"},{"ID":"DB00945"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00446"},{"ID":"DB00636"},{"ID":"DB00187"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB00812"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB00373"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01291","Name":"Pirbuterol","DrugType":"small molecule","HalfLife":"The plasma half-life measured after oral administration is about two hours.","Description":"Pirbuterol is a beta-2 adrenergic bronchodilator. In vitro studies and in vivo pharmacologic studies have demonstrated that pirbuterol has a preferential effect on beta-2 Adrenergic receptors compared with isoproterenol. While it is recognized that beta-2 adrenergic receptors are the predominant receptors in bronchial smooth muscle, data indicate that there is a population of beta-2 receptors in the human heart, existing in a concentration between 10-50%. The precise function of these receptors has not been established.\r\n\r\nThe pharmacologic effects of beta adrenergic agonist drugs, including pirbuterol, are at least in proof attributable to stimulation through beta adrenergic receptors of intracellular adenyl cyclase, the enzyme which catalyzes the conversion of adenosine triphosphate (AlP) to cyclic-3† ,5†-adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.\r\n","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"For the prevention and reversal of bronchospasm in patients 12 years of age and older with reversible bronchospasm including asthma.","Toxicity":"As with all sympathomimetic aerosol medication, cardiac arrest and even death may be associated with abuse of pirbuterol.","MechanismOfAction":"The pharmacologic effects of beta adrenergic agonist drugs, including pirbuterol, are at least in proof attributable to stimulation through beta adrenergic receptors of intracellular adenyl cyclase, the enzyme which catalyzes the conversion of adenosine triphosphate (AlP) to cyclic-3\u0026#8224; ,5\u0026#8224;-adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.","Pharmacodynamics":"Pirbuterol is a beta-2 adrenergic bronchodilator. In vitro studies and in vivo pharmacologic studies have demonstrated that pirbuterol has a preferential effect on beta-2 adrenergic receptors compared with isoproterenol. While it is recognized that beta-2 adrenergic receptors are the predominant receptors in bronchial smooth muscle, data indicate that there is a population of beta-2 receptors in the human heart, existing in a concentration between 10-50%. The precise function of these receptors has not been established.","Absorption":"","Interactions":[{"ID":"DB01193"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00187"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00598"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00264"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB01203"},{"ID":"DB00540"},{"ID":"DB01580"},{"ID":"DB00780"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00373"}],"Salts":[{"ID":"DBSALT000799","Name":"Pirbuterol acetate"},{"ID":"DBSALT000798","Name":"Pirbuterol hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01294","Name":"Bismuth Subsalicylate","DrugType":"small molecule","HalfLife":"","Description":"Bismuth subsalicylate is the active ingredient in the popular medication Pepto-Bismol that is used to treat nausea, heartburn, indigestion, upset stomach, diarrhea, and other temporary discomforts of the stomach and gastrointestinal tract. It is also the main ingredient of Kaopectate. It displays anti-inflammatory action (due to salicylic acid) and also acts as an antacid and mild antibiotic.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"Used to treat nausea, heartburn, indigestion, upset stomach, diarrhea, and other temporary discomforts of the stomach and gastrointestinal tract.","Toxicity":"","MechanismOfAction":"As an antidiarrheal, the exact mechanism has not been determined. Bismuth subsalicylate may exert its antidiarrheal action not only by stimulating absorption of fluid and electrolytes across the intestinal wall (antisecretory action) but also, when hydrolyzed to salicylic acid, by inhibiting synthesis of a prostaglandin responsible for intestinal inflammation and hypermotility. In addition, bismuth subsalicylate binds toxins produced by Escherichia coli. Both bismuth subsalicylate and the intestinal reaction products, bismuth oxychloride and bismuth hydroxide, are believed to have bactericidal action. As an antacid, bismuth has weak antacid properties.","Pharmacodynamics":"Bismuth subsalicylate displays anti-inflammatory action (due to salicylic acid) and also acts as an antacid and mild antibiotic. It can also cause a black tongue and black stools in some users of the drug, when it combines with trace amounts of sulfur in their saliva and gastrointestinal tract. This discoloration is temporary and harmless.","Absorption":"Following oral administration, absorption of the salicylate component from the small intestine is generally rapid and complete (\u003e90%). ","Interactions":[{"ID":"DB00819"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00443"},{"ID":"DB00687"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB00741"},{"ID":"DB00703"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01032"},{"ID":"DB00759"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01295","Name":"Bevantolol","DrugType":"small molecule","HalfLife":"","Description":"Bevantolol is a beta-1 adrenoceptor antagonist that has been shown to be as effective as other beta blockers for the treatment of angina pectoris and hypertension. Mechanism of Action Animal experiments confirm both agonist and antagonist effects on alpha-receptors, in addition to antagonist activity at beta-1 receptors.","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment of angina pectoris and hypertension.","Toxicity":"","MechanismOfAction":"Animal experiments confirm both agonist and antagonist effects on alpha-receptors, in addition to antagonist activity at beta-1 receptors. By binding and antagonizing beta-1 receptors Bevantolol inhibits the normal normal epinephrine-mediated sympathetic actions such as increased heart rate. This has the effect of decreasing preload and blood pressure.","Pharmacodynamics":"Bevantolol is a beta-1 adrenoceptor antagonist that has been shown to be as effective as other beta blockers for the treatment of angina pectoris and hypertension.","Absorption":"","Interactions":[{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB00236"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB00912"},{"ID":"DB00871"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00668","Drugs":["DB01295","DB01345","DB01373"]}]},{"ID":"DB01296","Name":"Glucosamine","DrugType":"small molecule","HalfLife":"","Description":"Glucosamine is commonly used as a treatment for osteoarthritis, although its acceptance as a medical therapy varies. It is an amino sugar and a prominent precursor in the biochemical synthesis of glycosylated proteins and lipids. Since glucosamine is a precursor for glycosaminoglycans, and glycosaminoglycans are a major component of joint cartilage, supplemental glucosamine may help to rebuild cartilage and treat arthritis.","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"Glucosamine is usually used in the treatment of osteoarthritis, although its efficacy is still in question.","Toxicity":"Adverse effects are generally mild: itching, diarrhea, heartburn, nausea and vomiting.","MechanismOfAction":"Glucosamine is an amino sugar and a prominent precursor in the biochemical synthesis of glycosylated proteins and lipids. Oral glucosamine is commonly used for the treatment of osteoarthritis. Since glucosamine is a precursor for glycosaminoglycans, and glycosaminoglycans are a major component of joint cartilage, supplemental glucosamine may help to rebuild cartilage and treat arthritis. Its use as a therapy for osteoarthritis appears safe, but there is conflicting evidence as to its effectiveness with more recent studies showing limited to no clinical benefit of use. In the United States, glucosamine is not approved by the Food and Drug Administration for medical use in humans. Since glucosamine is classified as a dietary supplement, safety and formulation are solely the responsibility of the manufacturer; evidence of safety and efficacy is not required as long as it is not advertised as a treatment for a medical condition.","Pharmacodynamics":"Osteoarthritis is characterized by the progressive degeneration of cartilage glycosaminoglycans. The formation of glucosamine is the rate limiting step in glycosaminoglycans synthesis thus the addition is glucosamine, would in theory provide a building block towards the synthesis of glycosaminoglycans and thus slow down the progression of osteoarthritis. Thus far however, the results have not been conclusive.","Absorption":"","Interactions":[{"ID":"DB00672"},{"ID":"DB00063"},{"ID":"DB01120"},{"ID":"DB00222"},{"ID":"DB01016"},{"ID":"DB00331"},{"ID":"DB00491"},{"ID":"DB00731"},{"ID":"DB01132"},{"ID":"DB00912"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00240","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00217","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00390","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00045","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00534","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00216","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]}]},{"ID":"DB01297","Name":"Practolol","DrugType":"small molecule","HalfLife":"","Description":"A beta-adrenergic antagonist that has been used in the emergency treatment of cardiac arrhythmias. [PubChem]","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"Used in the emergency treatment of cardiac arrhythmias.","Toxicity":"Symptoms of overdose include abdominal irritation, central nervous system depression, coma, extremely slow heartbeat, heart failure, lethargy, low blood pressure, and wheezing.\r\n","MechanismOfAction":"Like other beta-adrenergic antagonists, practolol competes with adrenergic neurotransmitters such as catecholamines for binding at sympathetic receptor sites. Like propranolol and timolol, practolol binds at beta(1)-adrenergic receptors in the heart and vascular smooth muscle, inhibiting the effects of the catecholamines epinephrine and norepinephrine and decreasing heart rate, cardiac output, and systolic and diastolic blood pressure.","Pharmacodynamics":"Practolol is a beta-adrenergic receptor antagonist that has been used in the emergency treatment of cardiac arrhythmias. Beta blockers inhibit normal epinephrine-mediated sympathetic actions, but have minimal effect on resting subjects. That is, they reduce the effect of excitement/physical exertion on heart rate and force of contraction and dilation of blood vessels.","Absorption":"","Interactions":[{"ID":"DB00414"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB01580"},{"ID":"DB00236"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB00912"},{"ID":"DB00871"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00669","Drugs":["DB01297","DB01345","DB01373"]}]},{"ID":"DB01298","Name":"Sulfacytine","DrugType":"small molecule","HalfLife":"","Description":"Sulfacytine is a short-acting sulfonamide. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of p-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections.\r\n\r\nSulfacytine is a competitive inhibitor of the enzyme dihydropteroate synthetase. It inhibits bacterial synthesis of of dihydrofolic acid by preventing the condensation of the pteridine with para-aminobenzoic acid (PABA), a substrate of the enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Used orally in the treatment of acute urinary tract infections.","Toxicity":"","MechanismOfAction":"Sulfacytine is a competitive inhibitor of the enzyme dihydropteroate synthetase. It inhibits bacterial synthesis of of dihydrofolic acid by preventing the condensation of the pteridine with para-aminobenzoic acid (PABA), a substrate of the enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Pharmacodynamics":"Sulfacytine is a short-acting sulfonamide. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of p-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"Well absorbed following oral administration.","Interactions":[{"ID":"DB00672"},{"ID":"DB00563"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01299","Name":"Sulfadoxine","DrugType":"small molecule","HalfLife":"","Description":"A long acting sulfonamide that is used, usually in combination with other drugs, for respiratory, urinary tract, and malarial infections. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Sulfadoxine is used in combination with pyrimethamine for the treatment or prevention of malaria. It can also be used to treat various infections in livestock as well.\r\nSulfadoxine and pyrimethamine is indicated for the treatment of Plasmodium falciparum malaria in those patients in whom chloroquine resistance is suspected. ","Toxicity":"","MechanismOfAction":"Sulfadoxine is a sulfa drug, often used in combination with pyrimethamine to treat malaria. This medicine may also be used to prevent malaria in people who are living in, or will be traveling to, an area where there is a chance of getting malaria. Sulfadoxine targets Plasmodium dihydropteroate synthase and dihydrofolate reductase. Sulfa drugs or Sulfonamides are antimetabolites. They compete with para-aminobenzoic acid (PABA) for incorporation into folic acid. The action of sulfonamides exploits the difference between mammal cells and other kinds of cells in their folic acid metabolism. All cells require folic acid for growth. Folic acid (as a vitamin) diffuses or is transported into human cells. However, folic acid cannot cross bacterial (and certain protozoan) cell walls by diffusion or active transport. For this reason bacteria must synthesize folic acid from p-aminobenzoic acid.","Pharmacodynamics":"Sulfadoxine helps inhibit the enzyme dihydropteroate synthetase which is an enzyme necessary in the conversion of PABA to folic acid. As folic acid is vital to the synthesis, repair, and methylation of DNA which is vital to cell growth in Plasmodium falciparum. With this vital nutrient lacking, the parasite has difficulty in reproducing.","Absorption":"","Interactions":[{"ID":"DB00672"},{"ID":"DB00563"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01301","Name":"Rolitetracycline","DrugType":"small molecule","HalfLife":"","Description":"A pyrrolidinylmethyl tetracycline. [PubChem]","Classification":{"Description":"This compound belongs to the naphthacenes. These are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings.","DirectParent":"Naphthacenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"Rolitetracycline is a broad-spectrum antibiotic used in cases needing high concentrations or when oral administration is impractical.","Toxicity":"Symptoms of overdose include anorexia, nausea, diarrhoea, glossitis, dysphagia, enterocolitis and inflammatory lesions (with monilial overgrowth) in the anogenital region, skin reactions such as maculopapular and erythematous rashes, exfoliative dermatitis, photosensitivity, hypersensitivity reactions such as urticaria, angioneurotic oedema, anaphylaxis, anaphyl-actoid purpura, pericarditis, and exacerbation of systemic lupus erythematosus, benign intracranial hypertension in adults disappearing on discontinuation of the medicine, haematologic abnormalities such as haemolytic anaemia, thrombocytopenia, neutropenia, and eosinophilia. LD\u003csub\u003e50\u003c/sub\u003e=262 mg/kg (I.P. in rat).","MechanismOfAction":"Rolitetracycline is a semisynthetic broad-spectrum tetracycline antibiotic used especially for parenteral administration in cases requiring high concentrations or when oral administration is impractical. Rolitetracycline passively diffuses through porin channels in the bacterial membrane and reversibly binds to the 30S ribosomal subunit, preventing binding of tRNA to the mRNA-ribosome complex, and thus interfering with protein synthesis.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00459"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB01053"},{"ID":"DB00578"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00485"},{"ID":"DB00977"},{"ID":"DB00926"},{"ID":"DB00301"},{"ID":"DB00982"},{"ID":"DB00417"},{"ID":"DB00319"},{"ID":"DB01604"},{"ID":"DB01605"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00726","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01301","DB01972","DB02431","DB03685"]}]},{"ID":"DB01303","Name":"Oxtriphylline","DrugType":"small molecule","HalfLife":"The serum half life varies greatly between patients and in age. The half life range for a healthy, nonsmoking adult is 3-12.8 hours, for children is 1.5–9.5 hours, and for for premature infants is 15–58 hours.","Description":"Oxtriphylline is the choline salt form of theophylline. Once in the body, theophylline is released and acts as a phosphodiesterase inhibitor, adenosine receptor blocker, and histone deacetylase activator. Its main physiological reponse is to dilate the bronchioles. As such, oxytriphylline is indicated mainly for asthma, bronchospasm, and COPD (i.e. all the same indications as the other theophyllines). It is marketed under the name Choledyl SA, and several forms of oxytriphylline have been discontinued. In the US, oxtriphylline is no longer available.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used to treat the symptoms of asthma, bronchitis, COPD, and emphysema.","Toxicity":"Symptoms of toxicity include abdominal pain (continuing or severe), confusion or change in behavior, convulsions (seizures), dark or bloody vomit, diarrhea, dizziness or lightheadedness, fast and/or irregular heartbeat, nervousness or restlessness (continuing), and trembling (continuing).","MechanismOfAction":"Oxtriphylline is a choline salt of theophylline. After ingestion, theophylline is released from oxytriphylline, and theophylline relaxes the smooth muscle of the bronchial airways and pulmonary blood vessels and reduces airway responsiveness to histamine, methacholine, adenosine, and allergen. Theophylline competitively inhibits type III and type IV phosphodiesterase (PDE), the enzyme responsible for breaking down cyclic AMP in smooth muscle cells, possibly resulting in bronchodilation. Theophylline also binds to the adenosine A2B receptor and blocks adenosine mediated bronchoconstriction. In inflammatory states, theophylline activates histone deacetylase to prevent transcription of inflammatory genes that require the acetylation of histones for transcription to begin.\r\n","Pharmacodynamics":"Oxtriphylline is a bronchodilator. Oxtriphylline works in several ways: it relaxes muscles in your lungs and chest to allow more air in, decreases the sensitivity of your lungs to allergens and other substances that cause inflammation, and increases the contractions of your diaphragm to draw more air into the lungs.","Absorption":"After ingestion, theophylline is released from oxytriphylline in the acidic environment of the stomach. ","Interactions":[{"ID":"DB00787"},{"ID":"DB00640"},{"ID":"DB01351"},{"ID":"DB01352"},{"ID":"DB00732"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01353"},{"ID":"DB00564"},{"ID":"DB00521"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB01211"},{"ID":"DB01341"},{"ID":"DB00822"},{"ID":"DB01135"},{"ID":"DB00467"},{"ID":"DB00199"},{"ID":"DB00977"},{"ID":"DB00754"},{"ID":"DB00176"},{"ID":"DB01320"},{"ID":"DB00365"},{"ID":"DB01159"},{"ID":"DB01354"},{"ID":"DB01355"},{"ID":"DB00034"},{"ID":"DB00105"},{"ID":"DB00011"},{"ID":"DB00951"},{"ID":"DB01321"},{"ID":"DB01356"},{"ID":"DB00532"},{"ID":"DB01357"},{"ID":"DB00474"},{"ID":"DB00849"},{"ID":"DB01336"},{"ID":"DB00379"},{"ID":"DB01226"},{"ID":"DB01203"},{"ID":"DB01059"},{"ID":"DB01337"},{"ID":"DB00487"},{"ID":"DB00008"},{"ID":"DB00022"},{"ID":"DB01359"},{"ID":"DB00312"},{"ID":"DB00806"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00960"},{"ID":"DB00794"},{"ID":"DB01182"},{"ID":"DB00571"},{"ID":"DB01346"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00533"},{"ID":"DB00418"},{"ID":"DB00489"},{"ID":"DB01323"},{"ID":"DB00382"},{"ID":"DB00306"},{"ID":"DB00857"},{"ID":"DB00730"},{"ID":"DB00208"},{"ID":"DB00373"},{"ID":"DB01361"},{"ID":"DB01199"},{"ID":"DB01339"},{"ID":"DB00661"},{"ID":"DB00744"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01306","Name":"Insulin Aspart","DrugType":"biotech","HalfLife":"81 minutes (following subcutaneous administration in healthy subjects). ","Description":"Insulin aspart is a recombinant, biosynthetic, fast-acting insulin analogue. It has a single amino acid substitution at position B28 where proline is replaced with aspartic acid. This substitution decreases its propensity to form hexamers and gives it a higher rate of absorption following subcutaneous administration compared to native insulin. Insulin aspart is produced in a genetically modified strain of _Saccharomyces cerevisiae_ and harvested from a bioreactor. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Type 1 or 2 diabetes mellitus. Should normally be used in conjunction with an intermediate or long-acting insulin. ","Toxicity":"Inappropriately high dosages relative to food intake and/or energy expenditure may result in severe and sometimes prolonged and life-threatening hypoglycemia. Neurogenic (autonomic) signs and symptoms of hypoglycemia include trembling, palpitations, sweating, anxiety, hunger, nausea and tingling. Neuroglycopenic signs and symptoms of hypoglycemia include difficulty concentrating, lethargy/weakness, confusion, drowsiness, vision changes, difficulty speaking, headache, and dizziness. Mild hypoglycemia is characterized by the presence of autonomic symptoms. Moderate hypoglycemia is characterized by the presence of autonomic and neuroglycopenic symptoms. Individuals may become unconscious in severe cases of hypoglycemia. ","MechanismOfAction":"Insulin aspart binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor autophosphorylates and phosphorylates numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. Activation of these proteins leads to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC), both of which play critical roles in metabolism and catabolism. In humans, insulin is stored in the form of hexamers; however, only insulin monomers are able to interact with IR. Substitution of the proline residue at B28 with aspartic acid reduces the tendency to form hexamers and results in a faster rate of absorption and onset of action and shorter duration of action. ","Pharmacodynamics":"Insulin is a natural hormone produced by beta cells of the pancreas. In non-diabetic individuals, a basal level of insulin is supplemented with insulin spikes following meals. Postprandial insulin spikes are responsible for the metabolic changes that occur as the body transitions from a postabsorptive to absorptive state. Insulin promotes cellular uptake of glucose, particularly in muscle and adipose tissues, promotes energy storage via glycogenesis, opposes catabolism of energy stores, increases DNA replication and protein synthesis by stimulating amino acid uptake by liver, muscle and adipose tissue, and modifies the activity of numerous enzymes involved in glycogen synthesis and glycolysis. Insulin also promotes growth and is required for the actions of growth hormone (e.g. protein synthesis, cell division, DNA synthesis). Insulin aspart is a rapid-acting insulin analogue used to mimic postprandial insulin spikes in diabetic individuals. The onset of action of insulin aspart is 10-15 minutes. Its activity peaks 60-90 minutes following subcutaneous injection and its duration of action is 4-5 hours.","Absorption":"Rapidly absorbed following subcutaneous administration (more so than regular human insulin). Furthermore, insulin aspart has a faster absorption, a faster onset of action, and a shorter duration of action than regular human insulin after subcutaneous injection. It takes 40 - 50 minutes to reach maximum concentration. When a dose of 0.15 U/kg body weight was injected in type 1 diabetes patients, the mean maximum concentration (Cmax) was 82 mU/L. The site of injection has no impact on extent or speed of absorption. ","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00636"},{"ID":"DB01406"},{"ID":"DB01191"},{"ID":"DB00974"},{"ID":"DB00187"},{"ID":"DB00574"},{"ID":"DB00082"},{"ID":"DB00052"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01307","Name":"Insulin Detemir","DrugType":"biotech","HalfLife":"5 - 7 hours depending on dose. The half life also differs between age groups (type 1 diabetes patients):\r\nChildren (6-12 years) = 302 ± 100 minutes;\r\nAdolescents (13-17 years) = 301 ± 107 minutes; \r\nAdults (18-65 years) = 425 ± 78 minutes","Description":"Insulin detemir is a long-acting human insulin analogue used to maintain basal levels of insulin in diabetic individuals. It is produced using recombinant DNA technology in yeast cells. This insulin analogue has a 14-C fatty acid, myristic acid, bound to the lysine amino acid at position B29. The myristoyl side chain increases self-association and albumin binding. This along with slow systemic absorption from the injection site prolongs distribution of the hormone into tissues and results in a long duration of action. Novo Nordisk markets insulin detemir under the trade name Levemir. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of type 1 or 2 diabetes mellitus. May be used in combination with oral anti-diabetic agents in type 2 diabetic patients who are not in adequate metabolic control with oral anti-diabetic agents alone. ","Toxicity":"Hypoglycemia may occur with inappropriately high doses. Neurogenic (autonomic) signs and symptoms of hypoglycemia include trembling, palpitations, sweating, anxiety, hunger, nausea and tingling. Neuroglycopenic signs and symptoms of hypoglycemia include difficulty concentrating, lethargy/weakness, confusion, drowsiness, vision changes, difficulty speaking, headache, and dizziness. Mild hypoglycemia is characterized by the presence of autonomic symptoms. Moderate hypoglycemia is characterized by the presence of autonomic and neuroglycopenic symptoms. Individuals may become unconscious in severe cases of hypoglycemia. Injection site reactions may also occur. Symptoms include: redness, inflammation, bruising, swelling and itching at the injection site. ","MechanismOfAction":"Insulin detemir binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor autophosphorylates and phosphorylates numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. Activation of these proteins leads to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC), both of which play critical roles in metabolism and catabolism.\r\nInsulin detemir’s long duration of action appears to be a result of slow systemic absorption from the injection site and delayed distribution to target tissues. The myristic acid side chain on insulin detemir increases self-association and gives it a high binding affinity to serum albumin. These features slows its distribution into target tissues and prolongs its duration of action. ","Pharmacodynamics":"Insulin is a natural hormone produced by beta cells of the pancreas. In non-diabetic individuals, a basal level of insulin is supplemented with insulin spikes following meals. Increased insulin secretion following meals is responsible for the metabolic changes that occur as the body transitions from a postabsorptive to absorptive state. Insulin promotes cellular uptake of glucose, particularly in muscle and adipose tissues, promotes energy storage via glycogenesis, opposes catabolism of energy stores, increases DNA replication and protein synthesis by stimulating amino acid uptake by liver, muscle and adipose tissue, and modifies the activity of numerous enzymes involved in glycogen synthesis and glycolysis. Insulin also promotes growth and is required for the actions of growth hormone (e.g. protein synthesis, cell division, DNA synthesis). Insulin detemir is a long-acting insulin analogue with a flat and predictable action profile. It is used to mimic the basal levels of insulin in diabetic individuals. The onset of action of insulin detemir is 1 to 2 hours and its duration of action is up to 24 hours. Interestingly, it has a lower affinity (30%) for the insulin receptor than human insulin.","Absorption":"Maximum serum concentrations are reached 6 to 8 hours following subcutaneous injection. When single dose of 0.5 units/kg of insulin detemir was given to adult type 1 diabetes patients, the maximum serum concentration (Cmax) was 4,641 ± 2,299 pmol/L. Absorption is also dependent on the site of injection. When injected into the thigh, the AUC was lower than when injected into the deltoid and abdominal regions. Bioavailability is approximately 60%. ","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00636"},{"ID":"DB01191"},{"ID":"DB00187"},{"ID":"DB00574"},{"ID":"DB00052"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01309","Name":"Insulin Glulisine","DrugType":"biotech","HalfLife":"Elimination half life= 42 minutes (following subcutaneous injection)","Description":"Insulin glulisine is a biosynthetic, rapid-acting human insulin analogue produced in a non-pathogenic laboratory strain of _Escherichia coli_ (K12). This recombinant hormone differs from native human insulin in that the amino acid arginine at position B3 is replaced by lysine and the lysine at position B29 is replaced by glutamic acid. These structural modifications decrease hexamer formation, stabilize insulin glulisine monomers and increase the rate of absorption and onset of action compared to human insulin. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Type 1 and 2 diabetes mellitus. Should be used in regimens including a long-acting or basal insulin analogue unless it is used in a continuous infusion pump. May be used with oral antidiabetic agents. ","Toxicity":"Inappropriately high dosages relative to food intake and/or energy expenditure may result in severe and sometimes prolonged and life-threatening hypoglycemia. Neurogenic (autonomic) signs and symptoms of hypoglycemia include trembling, palpitations, sweating, anxiety, hunger, nausea and tingling. Neuroglycopenic signs and symptoms of hypoglycemia include difficulty concentrating, lethargy/weakness, confusion, drowsiness, vision changes, difficulty speaking, headache, and dizziness. Mild hypoglycemia is characterized by the presence of autonomic symptoms. Moderate hypoglycemia is characterized by the presence of autonomic and neuroglycopenic symptoms. Individuals may become unconscious in severe cases of hypoglycemia. ","MechanismOfAction":"Insulin glulisine binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor autophosphorylates and phosphorylates numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. Activation of these proteins leads to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC), both of which play critical roles in metabolism and catabolism. In humans, insulin is stored in the form of hexamers; however, only insulin monomers are able to interact with IR. Substitution of the arginine at position B3 for lysine and replacement of the B29 lysine with glutamic acid decreases the propensity to form hexamers, stabilizes the hormone in monomeric form and results in a rapid rate of absorption and short duration of action. ","Pharmacodynamics":"Insulin is a natural hormone produced by beta cells of the pancreas. In non-diabetic individuals, a basal level of insulin is supplemented with insulin spikes following meals. Postprandial insulin spikes are responsible for the metabolic changes that occur as the body transitions from a postabsorptive to absorptive state. Insulin promotes cellular uptake of glucose, particularly in muscle and adipose tissues, promotes energy storage via glycogenesis, opposes catabolism of energy stores, increases DNA replication and protein synthesis by stimulating amino acid uptake by liver, muscle and adipose tissue, and modifies the activity of numerous enzymes involved in glycogen synthesis and glycolysis. Insulin also promotes growth and is required for the actions of growth hormone (e.g. protein synthesis, cell division, DNA synthesis). Insulin glulisine is a rapid-acting insulin analogue used to mimic postprandial insulin spikes in diabetic individuals. The onset of action of insulin glulisine is approximately 15 minutes. Its activity peaks 60 minutes following subcutaneous injection and its duration of action is 2-4 hours.","Absorption":"Compared to regular human insulin, insulin glulisine is faster absorbed. When 0.15 units/kg was subcutaneously administered to type 1 diabetes patients, the pharmacokinetic parameters are as follows:\r\nTmax = 60 minutes (range of 40 - 120 minutes);\r\nCmax = 83 microUnits/mL (range of 40 - 131 microUnits/mL). \r\nAbsolute bioavailability following subcutaneous administration is approximately 70%, regardless of site of injection. ","Interactions":[{"ID":"DB01193"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00636"},{"ID":"DB01191"},{"ID":"DB00187"},{"ID":"DB00574"},{"ID":"DB00052"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01319","Name":"Fosamprenavir","DrugType":"small molecule","HalfLife":"The plasma elimination half-life of amprenavir (the active metabolite) is approximately 7.7 hours.","Description":"Fosamprenavir is a prodrug of amprenavir, an inhibitor of human immunodeficiency virus (HIV) protease.","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus (HIV-1) infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission. The use of fosamprenavir is pending revision due to a potential association between the drug and myocardial infarction and dyslipidemia in HIV infected adults.","Toxicity":"","MechanismOfAction":"Fosamprenavir is a prodrug that is rapidly hydrolyzed to amprenavir by cellular phosphatases in the gut epithelium as it is absorbed. Amprenavir is an inhibitor of HIV-1 protease. During HIV replication, HIV protease cleaves viral polypeptide products of the Gag and Gag-Pol genes to form structural proteins of the virion core and essential viral enzymes. Amprenavir interferes with this process by binding to the active site of HIV-1 protease, thereby preventing the processing of viral Gag and Gag-Pol polyprotein precursors, resulting in the formation of immature non-infectious viral particles.","Pharmacodynamics":"Fosamprenavir is a pro-drug of the protease inhibitor and antiretroviral drug amprenavir. It has little or no antiviral activity until it is hydrolyzed by cellular phosphatases into amprenavir, which is the active ingredient. That metabolization increases the duration that amprenavir is available, making fosamprenavir a slow-release version of amprenavir and thus reducing the number of pills required versus standard amprenavir.","Absorption":"The absolute oral bioavailability of amprenavir after administration of fosamprenavir in humans has not been established. After administration of a single 1,400 mg dose in the fasted state, fosamprenavir oral suspension (50 mg/mL) and fosamprenavir tablets (700 mg) provided similar amprenavir exposures (AUC), however, the C\u003csub\u003emax\u003c/sub\u003e of amprenavir after administration of the suspension formulation was 14.5 % higher compared with the tablet.","Interactions":[{"ID":"DB01048"},{"ID":"DB01418"},{"ID":"DB00404"},{"ID":"DB01370"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB01244"},{"ID":"DB01558"},{"ID":"DB01373"},{"ID":"DB00604"},{"ID":"DB00628"},{"ID":"DB00091"},{"ID":"DB01219"},{"ID":"DB00705"},{"ID":"DB00829"},{"ID":"DB00266"},{"ID":"DB00320"},{"ID":"DB00696"},{"ID":"DB06414"},{"ID":"DB00813"},{"ID":"DB00690"},{"ID":"DB02703"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB01378"},{"ID":"DB01377"},{"ID":"DB00333"},{"ID":"DB00683"},{"ID":"DB01100"},{"ID":"DB00243"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00203"},{"ID":"DB00641"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01320","Name":"Fosphenytoin","DrugType":"small molecule","HalfLife":"Fosphenytoin has a half-life of approximately 15 minutes.","Description":"Fosphenytoin is a water-soluble phenytoin prodrug used only in hospitals for the treatment of epileptic seizures. It works by slowing down impulses in the brain that cause seizures. Its main mechanism is to block frequency-dependent, use-dependent and voltage-dependent neuronal sodium channels, and therefore limit repetitive firing of action potentials.","Classification":{"Description":"This compound belongs to the phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group.","DirectParent":"Phenylhydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"For the control of generalized convulsive status epilepticus and prevention and treatment of seizures occurring during neurosurgery. It can also be substituted, short-term, for oral phenytoin.","Toxicity":"Nausea, vomiting, lethargy, tachycardia, bradycardia, asystole, cardiac arrest, hypotension, syncope, hypocalcemia, metabolic acidosis, and death have been reported in cases of overdosage with fosphenytoin. The median lethal dose of fosphenytoin given intravenously in mice and rats was 156 mg PE/kg and approximately 250 mg PE/kg, or about 0.6 and 2 times, respectively, the maximum human loading dose on a mg/m2 basis. Signs of acute toxicity in animals included ataxia, labored breathing, ptosis, and hypoactivity.","MechanismOfAction":"Fosphenytoin is a prodrug of phenytoin and accordingly, its anticonvulsant effects are attributable to phenytoin. Phenytoin acts on sodium channels on the neuronal cell membrane, limiting the spread of seizure activity and reducing seizure propagation. By promoting sodium efflux from neurons, phenytoin tends to stabilize the threshold against hyperexcitability caused by excessive stimulation or environmental changes capable of reducing membrane sodium gradient. This includes the reduction of post-tetanic potentiation at synapses. Loss of post-tetanic potentiation prevents cortical seizure foci from detonating adjacent cortical areas.","Pharmacodynamics":"Fosphenytoin is a water-soluble phenytoin prodrug used only in hospitals for the treatment of epileptic seizures. Following parenteral administration of fosphenytoin, fosphenytoin is converted to the anticonvulsant phenytoin by endogenous phosphatases. For every mmol of fosphenytoin administered, one mmol of phenytoin is produced. The pharmacological and toxicological effects of fosphenytoin include those of phenytoin.","Absorption":"Fosphenytoin is completely bioavailable following lM administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB01125"},{"ID":"DB00673"},{"ID":"DB00732"},{"ID":"DB00443"},{"ID":"DB00290"},{"ID":"DB08873"},{"ID":"DB01101"},{"ID":"DB00958"},{"ID":"DB00262"},{"ID":"DB00446"},{"ID":"DB00475"},{"ID":"DB00269"},{"ID":"DB01114"},{"ID":"DB00501"},{"ID":"DB00515"},{"ID":"DB01211"},{"ID":"DB00882"},{"ID":"DB00628"},{"ID":"DB00363"},{"ID":"DB00286"},{"ID":"DB01380"},{"ID":"DB00091"},{"ID":"DB00705"},{"ID":"DB01234"},{"ID":"DB00829"},{"ID":"DB01119"},{"ID":"DB00266"},{"ID":"DB00255"},{"ID":"DB00280"},{"ID":"DB00822"},{"ID":"DB00988"},{"ID":"DB01135"},{"ID":"DB00254"},{"ID":"DB00651"},{"ID":"DB00783"},{"ID":"DB08866"},{"ID":"DB04573"},{"ID":"DB00655"},{"ID":"DB04574"},{"ID":"DB00977"},{"ID":"DB06414"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB00196"},{"ID":"DB00687"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB00690"},{"ID":"DB00176"},{"ID":"DB00158"},{"ID":"DB00695"},{"ID":"DB00996"},{"ID":"DB00317"},{"ID":"DB00741"},{"ID":"DB00619"},{"ID":"DB00762"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01235"},{"ID":"DB00555"},{"ID":"DB00367"},{"ID":"DB01601"},{"ID":"DB08815"},{"ID":"DB00643"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB00563"},{"ID":"DB00553"},{"ID":"DB00959"},{"ID":"DB01336"},{"ID":"DB01011"},{"ID":"DB00379"},{"ID":"DB00683"},{"ID":"DB00370"},{"ID":"DB01226"},{"ID":"DB00401"},{"ID":"DB00717"},{"ID":"DB00338"},{"ID":"DB00776"},{"ID":"DB01303"},{"ID":"DB03585"},{"ID":"DB01337"},{"ID":"DB01384"},{"ID":"DB00812"},{"ID":"DB01263"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01224"},{"ID":"DB04575"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB01045"},{"ID":"DB01656"},{"ID":"DB01104"},{"ID":"DB00877"},{"ID":"DB00364"},{"ID":"DB00359"},{"ID":"DB00576"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00277"},{"ID":"DB04572"},{"ID":"DB00208"},{"ID":"DB01124"},{"ID":"DB00273"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00755"},{"ID":"DB00620"},{"ID":"DB00897"},{"ID":"DB00440"},{"ID":"DB04571"},{"ID":"DB00427"},{"ID":"DB01199"},{"ID":"DB05294"},{"ID":"DB01339"},{"ID":"DB01080"},{"ID":"DB00570"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000296","Name":"Fosphenytoin sodium"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00618","Drugs":["DB00252","DB01320"]},{"ID":"SMP00326","Drugs":["DB00252","DB01320","DB01345","DB01373"]}]},{"ID":"DB01321","Name":"Josamycin","DrugType":"small molecule","HalfLife":"","Description":"A macrolide antibiotic from Streptomyces narbonensis. The drug has antimicrobial activity against a wide spectrum of pathogens. [PubChem]","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"For the treatment of bacterial infections.","Toxicity":"","MechanismOfAction":"The mechanism of action of macrolides such as Josamycin is via inhibition of bacterial protein biosynthesis by binding reversibly to the subunit 50S of the bacterial ribosome, thereby inhibiting translocation of peptidyl tRNA. This action is mainly bacteriostatic, but can also be bactericidal in high concentrations. Macrolides tend to accumulate within leukocytes, and are therefore actually transported into the site of infection.","Pharmacodynamics":"Josamycin is a macrolide antibiotic from \u003ci\u003eStreptomyces narbonensis\u003c/i\u003e. The drug has antimicrobial activity against a wide spectrum of pathogens. ","Absorption":"","Interactions":[{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB01200"},{"ID":"DB00490"},{"ID":"DB00564"},{"ID":"DB00439"},{"ID":"DB01166"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB00363"},{"ID":"DB00091"},{"ID":"DB00829"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB01248"},{"ID":"DB00696"},{"ID":"DB01023"},{"ID":"DB00472"},{"ID":"DB00365"},{"ID":"DB00619"},{"ID":"DB01167"},{"ID":"DB01137"},{"ID":"DB00227"},{"ID":"DB00933"},{"ID":"DB00247"},{"ID":"DB00683"},{"ID":"DB00218"},{"ID":"DB01303"},{"ID":"DB01100"},{"ID":"DB00912"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00342"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB00897"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00731","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01321","DB01972","DB02431","DB03685"]}]},{"ID":"DB01322","Name":"Kava","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihydropyranones. These are compounds containing an hydrogenated pyran ring which bears a ketone, and contains one double bond.","DirectParent":"Dihydropyranones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyranones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00404"},{"ID":"DB00475"},{"ID":"DB00349"},{"ID":"DB01068"},{"ID":"DB00628"},{"ID":"DB00829"},{"ID":"DB01215"},{"ID":"DB00690"},{"ID":"DB00186"},{"ID":"DB00683"},{"ID":"DB00842"},{"ID":"DB00231"},{"ID":"DB00897"}],"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB01323","Name":"St. John's Wort","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00404"},{"ID":"DB01223"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB06626"},{"ID":"DB08873"},{"ID":"DB06772"},{"ID":"DB08875"},{"ID":"DB00215"},{"ID":"DB01068"},{"ID":"DB00091"},{"ID":"DB00705"},{"ID":"DB06700"},{"ID":"DB00829"},{"ID":"DB00390"},{"ID":"DB00625"},{"ID":"DB00530"},{"ID":"DB01175"},{"ID":"DB08866"},{"ID":"DB00977"},{"ID":"DB06414"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB00317"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB08820"},{"ID":"DB00333"},{"ID":"DB00683"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB00338"},{"ID":"DB01303"},{"ID":"DB01229"},{"ID":"DB00715"},{"ID":"DB08883"},{"ID":"DB01367"},{"ID":"DB08896"},{"ID":"DB01656"},{"ID":"DB00864"},{"ID":"DB06287"},{"ID":"DB00277"},{"ID":"DB00932"},{"ID":"DB06212"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00897"},{"ID":"DB00726"},{"ID":"DB08867"},{"ID":"DB05294"},{"ID":"DB00285"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00315"}],"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB01324","Name":"Polythiazide","DrugType":"small molecule","HalfLife":"","Description":"A thiazide diuretic with actions and uses similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p826)","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"Polythiazide is a thiazide diuretic used to decrease edema and decrease blood pressure.","Toxicity":"","MechanismOfAction":"As a diuretic, polythiazide inhibits active chloride reabsorption at the early distal tubule via the thiazide-sensitive Na-Cl cotransporter (TSC), resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like polythiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of polythiazide may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle.","Pharmacodynamics":"As a thiazide diuretic, Polythiazide inhibits the sodium-chloride symporter which decreases solute reabsorption leading to a retention of water in the urine, as water normally follows solutes. More frequent urination is due to the increased loss of water that has not been retained from the body as a result of a concomitant relationship with sodium loss from the convoluted tubule. The short-term anti-hypertensive action is based on the fact that thiazides decrease preload, decreasing blood pressure","Absorption":"","Interactions":[{"ID":"DB00390"},{"ID":"DB01356"},{"ID":"DB00519"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00080","Drugs":["DB00151","DB01324","DB01345","DB03904"]}]},{"ID":"DB01325","Name":"Quinethazone","DrugType":"small molecule","HalfLife":"","Description":"Quinethazone (INN, brand name Hydromox) is a thiazide diuretic used to treat hypertension. Common side effects include dizziness, dry mouth, nausea, and low potassium levels.","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"Used to treat hypertension.","Toxicity":"","MechanismOfAction":"As a diuretic, quinethazone inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like quinethazone also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of quinethazone is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle.","Pharmacodynamics":"Quinethazone is a thiazide diuretic used to treat hypertension. It inhibits Na\u003csup\u003e+\u003c/sup\u003e/Cl\u003csup\u003e-\u003c/sup\u003e reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue.","Absorption":"","Interactions":[{"ID":"DB00390"},{"ID":"DB01356"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00091","Drugs":["DB00151","DB01325","DB01345","DB03904"]}]},{"ID":"DB01326","Name":"Cefamandole","DrugType":"small molecule","HalfLife":"The half-life after an intravenous dose is 32 minutes; after intramuscular administration, the half-life is 60 minutes.","Description":"Cefamandole (INN, also known as cephamandole) is a broad-spectrum cephalosporin antibiotic. The clinically used form of cefamandole is the formate ester cefamandole nafate, a prodrug which is administered parenterally. Cefamandole is no longer available in the United States.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of serious infections caused by susceptible strains of microorganisms.","Toxicity":"Symptoms of overdose include blood in the urine, diarrhea, nausea, upper abdominal pain, and vomiting.","MechanismOfAction":"Like all beta-lactam antibiotics, cefamandole binds to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, causing the inhibition of the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cefamandole interferes with an autolysin inhibitor.","Pharmacodynamics":"Cefamandole is a broad-spectrum cephalosporin antibiotic. The clinically used form of cefamandole is the formate ester cefamandole nafate, a prodrug which is administered parenterally. The bactericidal action of cefamandole results from inhibition of cell-wall synthesis. Cephalosporins have in vitro activity against a wide range of gram-positive and gram-negative organisms.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01327","Name":"Cefazolin","DrugType":"small molecule","HalfLife":"The serum half-life is approximately 1.8 hours following IV administration and approximately 2.0 hours following IM administration.","Description":"A semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Mainly used to treat bacterial infections of the skin. It can also be used to treat moderately severe bacterial infections involving the lung, bone, joint, stomach, blood, heart valve, and urinary tract. It is clinically effective against infections caused by staphylococci and streptococci species of Gram positive bacteria. May be used for surgical prophylaxis; if required metronidazole may be added to cover B. fragilis.","Toxicity":"","MechanismOfAction":"In vitro tests demonstrate that the bactericidal action of cephalosporins results from inhibition of cell wall synthesis. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins.","Pharmacodynamics":"Cefazolin (also known as cefazoline or cephazolin) is a semi-synthetic first generation cephalosporin for parenteral administration. Cefazolin has broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.","Absorption":"Not absorbed from GI tract. Must be administered parenterally. Peak serum concentrations attained 1-2 hours post intramuscular injection. ","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000310","Name":"Cefazolin sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01328","Name":"Cefonicid","DrugType":"small molecule","HalfLife":"4.5 hours","Description":"A second-generation cephalosporin administered intravenously or intramuscularly. Its bactericidal action results from inhibition of cell wall synthesis. It is used for urinary tract infections, lower respiratory tract infections, and soft tissue and bone infections. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of bacterial infections caused by susceptible microorganisms.","Toxicity":"","MechanismOfAction":"Cefonicid, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins.","Pharmacodynamics":"Cefonicid is a second-generation cephalosporin administered intravenously or intramuscularly. Its bactericidal action results from inhibition of cell wall synthesis. It is used for urinary tract infections, lower respiratory tract infections, and soft tissue and bone infections.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01329","Name":"Cefoperazone","DrugType":"small molecule","HalfLife":"The mean serum half-life is approximately 2.0 hours, independent of the route of administration.","Description":"Semisynthetic broad-spectrum cephalosporin with a tetrazolyl moiety that is resistant to beta-lactamase. It has been proposed especially against \u003ci\u003ePseudomonas\u003c/i\u003e infections.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of bacterial infections caused by susceptible microorganisms.","Toxicity":"Symptoms of overdose include blood in the urine, diarrhea, nausea, upper abdominal pain, and vomiting.","MechanismOfAction":"Like all beta-lactam antibiotics, cefoperazone binds to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, causing the inhibition of the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins.","Pharmacodynamics":"Cefoperazone is a third generation cephalosporin antibiotic. Cefoperazone exerts its bactericidal effect by inhibiting the bacterial cell wall synthesis","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01330","Name":"Cefotetan","DrugType":"small molecule","HalfLife":"In volunteers with reduced renal function, the plasma half-life of cefotetan is prolonged","Description":"A semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For prophylaxis and treatment of bacterial infections.","Toxicity":"","MechanismOfAction":"The bactericidal action of cefotetan results from inhibition of cell wall synthesis by binding and inhibiting the bacterial penicillin binding proteins which help in the cell wall biosynthesis.","Pharmacodynamics":"Cefotetan is a semisynthetic cephamycin antibiotic that is administered intravenously or intramuscularly. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative microorganisms. ","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB00479"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00798"},{"ID":"DB01172"},{"ID":"DB00994"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB01082"},{"ID":"DB00684"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01331","Name":"Cefoxitin","DrugType":"small molecule","HalfLife":"The half-life after an intravenous dose is 41 to 59 minutes. ","Description":"Cefoxitin is a semi-synthetic, broad-spectrum cepha antibiotic for intravenous administration. It is derived from cephamycin C, which is produced by \u003ci\u003eStreptomyces lactamdurans\u003c/i\u003e.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of serious infections caused by susceptible strains microorganisms.","Toxicity":"The acute intravenous LD50 in the adult female mouse and rabbit was about 8.0 g/kg and greater than 1.0 g/kg, respectively. The acute intraperitoneal LD50 in the adult rat was greater than 10.0 g/kg.","MechanismOfAction":"The bactericidal action of cefoxitin results from inhibition of cell wall synthesis.","Pharmacodynamics":"Cefoxitin is a cephamycin antibiotic often grouped with the second-generation cephalosporins. It is active against a broad range of gram-negative bacteria including anaerobes. The methoxy group in the 7a position provides cefoxitin with a high degree of stability in the presence of beta-lactamases, both penicillinases and cephalosporinases, of gram-negative bacteria.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB00479"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00798"},{"ID":"DB01172"},{"ID":"DB00994"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB01082"},{"ID":"DB00684"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01332","Name":"Ceftizoxime","DrugType":"small molecule","HalfLife":"","Description":"A semisynthetic cephalosporin antibiotic which can be administered intravenously or by suppository. The drug is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative organisms. It has few side effects and is reported to be safe and effective in aged patients and in patients with hematologic disorders. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of infections due to susceptible strains of microorganisms.","Toxicity":"","MechanismOfAction":"Ceftizoxime is an aminothiazolyl cephalosporin with an extended spectrum of activity against many gram-negative, nosocomially acquired pathogens. It has excellent beta-lactamase stability, with good in vitro activity against Haemophilus influenzae, Neisseria gonorrhoeae and Klebsiella pneumoniae. Ceftizoxime, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that ceftizoxime interferes with an autolysin inhibitor.","Pharmacodynamics":"Ceftizoxime is highly resistant to a broad spectrum of beta-lactamases and is active against a wide range of both aerobic and anaerobic gram-positive and gram-negative organisms. It has few side effects and is reported to be safe and effective in aged patients and in patients with hematologic disorders.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01333","Name":"Cefradine","DrugType":"small molecule","HalfLife":"","Description":"A semi-synthetic cephalosporin antibiotic. [PubChem]","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"","Toxicity":"","MechanismOfAction":"Cefradine is a first generation cephalosporin antibiotic with a spectrum of activity similar to Cefalexin. Cefradine, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Cefradine interferes with an autolysin inhibitor.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01336","Name":"Metocurine","DrugType":"small molecule","HalfLife":"","Description":"Dimethyltubocurarinium (INN) or metocurine (USAN), also known as dimethyltubocurarine, is a non-depolarizing muscle relaxant. Patients on chronic anticonvulsant drugs are relatively resistant to metocurine.(PMID: 9915319)","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"Metocurine is a muscle relaxant.","Toxicity":"","MechanismOfAction":"Metocurine antagonizes the neurotransmitter action of acetylcholine by binding competitively with cholinergic receptor sites on the motor end-plate. This antagonism is inhibited, and neuromuscular block reversed, by acetylcholinesterase inhibitors such as neostigmine, edrophonium, and pyridostigmine.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB01223"},{"ID":"DB00993"},{"ID":"DB00564"},{"ID":"DB01190"},{"ID":"DB01320"},{"ID":"DB00798"},{"ID":"DB01627"},{"ID":"DB01033"},{"ID":"DB00955"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00277"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01337","Name":"Pancuronium","DrugType":"small molecule","HalfLife":"1.5 to 2.7 hours.","Description":"A bis-quaternary steroid that is a competitive nicotinic antagonist. As a neuromuscular blocking agent it is more potent than curare but has less effect on the circulatory system and on histamine release.","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"Used as a muscle relaxant during anesthesia and surgical procedures.","Toxicity":"","MechanismOfAction":"Nondepolarizing neuromuscular blocking agents inhibit neuromuscular transmission by competing with acetylcholine for the cholinergic receptors of the motor end plate, thereby reducing the response of the end plate to acetylcholine. This type of neuromuscular block is usually antagonized by anticholinesterase agents.","Pharmacodynamics":"Pancuronium is a typical non-depolarising curare-mimetic muscle relaxant. It acts as a competitive acetylcholine antagonist on neuromuscular junctions, displacing acetylcholine (hence competitive) from its post-synaptic nicotinic acetylcholine receptors. It is, unlike suxamethonium, a non-depolarising agent, which means, that it causes no spontaneous depolarisations upon association with the nicotinic receptor in neuromuscular junction, thus producing no muscle fasciculations upon administration. Pancuronium has no hormonal activity. It exerts slight vagolytic activity (i.e. diminishing activity of the vagus nerve) and no ganglioplegic (i.e., blocking ganglions) activity.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB01223"},{"ID":"DB00993"},{"ID":"DB00564"},{"ID":"DB01190"},{"ID":"DB01111"},{"ID":"DB01320"},{"ID":"DB00798"},{"ID":"DB01627"},{"ID":"DB01033"},{"ID":"DB00955"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00277"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000368","Name":"Pancuronium bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01338","Name":"Pipecuronium","DrugType":"small molecule","HalfLife":"Distribution Normal renal function: 6.22 (range, 1.34 to 10.66) minutes. Renal function impairment: 4.33 (range, 1.69 to 6.17) minutes. Elimination Normal renal function: 1.7 (range, 0.9 to 2.7) hours. The elimination half-life is not altered by hypothermia and bypass. Renal function impairment: 4 (range, 2 to 8.2) hours. [PharmGKB]","Description":"Pipecuronium is a piperazinyl androstane derivative which is a non-depolarizing neuromuscular blocking agent.","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"Used as a muscle relaxant during anesthesia and surgical procedures.","Toxicity":"","MechanismOfAction":"Nondepolarizing neuromuscular blocking agents inhibit neuromuscular transmission by competing with acetylcholine for the cholinergic receptors of the motor end plate, thereby reducing the response of the end plate to acetylcholine. This type of neuromuscular block is usually antagonized by anticholinesterase agents.","Pharmacodynamics":"Pipecuronium is a nondepolarizing neuromuscular blocking agent. Neuromuscular blocking agents produce skeletal muscle paralysis by blocking neural transmission at the myoneural junction. The paralysis is selective initially and usually appears in the following muscles consecutively: levator muscles of eyelids, muscles of mastication, limb muscles, abdominal muscles, muscles of the glottis, and finally, the intercostal muscles and the diaphragm. Neuromuscular blocking agents have no clinically significant effect on consciousness or the pain threshold. ","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB01190"},{"ID":"DB00798"},{"ID":"DB01627"},{"ID":"DB00955"},{"ID":"DB00319"},{"ID":"DB00684"}],"Salts":[{"ID":"DBSALT000367","Name":"Pipecuronium bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01339","Name":"Vecuronium","DrugType":"small molecule","HalfLife":"51–80 minutes","Description":"Monoquaternary homolog of pancuronium. A non-depolarizing neuromuscular blocking agent with shorter duration of action than pancuronium. Its lack of significant cardiovascular effects and lack of dependence on good kidney function for elimination as well as its short duration of action and easy reversibility provide advantages over, or alternatives to, other established neuromuscular blocking agents. [PubChem]","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"Vecuronium is a muscle relaxing agent and is used as an ajunct in general anesthesia.","Toxicity":"","MechanismOfAction":"Vecuronium is a bisquaternary nitrogen compound that acts by competitively binding to nicotinic cholinergic receptors. The binding of vecuronium decreases the opportunity for acetylcholine to bind to the nicotinic receptor at the postjunctional membrane of the myoneural junction. As a result, depolarization is prevented, calcium ions are not released and muscle contraction does not occur.","Pharmacodynamics":"Vecuronium operates by competing for the cholinoceptors at the motor end plate thereby exerting its muscle-relaxing properties which are used adjunctively to general anesthesia.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB01223"},{"ID":"DB00993"},{"ID":"DB00443"},{"ID":"DB00564"},{"ID":"DB01190"},{"ID":"DB01111"},{"ID":"DB01285"},{"ID":"DB01380"},{"ID":"DB01234"},{"ID":"DB00687"},{"ID":"DB01320"},{"ID":"DB00798"},{"ID":"DB00741"},{"ID":"DB01627"},{"ID":"DB01033"},{"ID":"DB00959"},{"ID":"DB00955"},{"ID":"DB01303"},{"ID":"DB00252"},{"ID":"DB00319"},{"ID":"DB00781"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00277"},{"ID":"DB00684"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01340","Name":"Cilazapril","DrugType":"small molecule","HalfLife":"Half-lives for the periods 1 to 4 hours and 1 to 7 days after the intravenous administration of 2.5 mg cilazaprilat are 0.90 and 46.2 hours respectively. ","Description":"Cilazapril is an ACE inhibtor class drug used in the treatment of hypertension and heart failure. It belongs to the angiotensin-converting enzyme inhibitors (ACE inhibitors) class of drugs. It is a prodrug that is hydrolyzed after absorption to its main metabolite cilazaprilat. It is branded as Inhibace in Canada and other countries, Vascace and Dynorm in a number of European countries, among many other names. None of these varieties are available in the United States. ","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Cilazapril is an ACE inhibtor class drug used in the treatment of hypertension and heart failure.","Toxicity":"Limited data are available with regard to overdosage in humans. The most likely manifestations are hypotension, which may be severe, hyperkalaemia, hyponatraemia and renal impairment with metabolic acidosis. Treatment should be mainly symptomatic and supportive. ","MechanismOfAction":"Cilazapril is a pyridazine ACE inhibitor. It competes with angiotensin I for binding at the angiotensin-converting enzyme, blocking the conversion of angiotensin I to angiotensin II. As angiotensin II is a vasoconstrictor and a negative feedback mediator for renin activity, lower angiotensin II levels results in a decrease in blood pressure, an increase in renin activity, and stimulation of baroreceptor reflex mechanisms. Kininase II, an enzyme which degrades the vasodilator bradykinin, is identical to ACE and may also be inhibited.","Pharmacodynamics":"Cilazapril inhibits the production angiotensin II. By doing so, it decreases sodium and water reabsorption (via aldosterone) and it decreases vasoconstriction. The combined effect of this is a decrease in vascular resistance, and therefore, blood pressure. The absolute bioavailability of cilazaprilat after oral administration of cilazapril is 57% based on urinary recovery data. (The absolute bioavailability of cilazaprilat after oral administration of cilazaprilat is 19%.) Ingestion of food immediately before the administration of cilazapril reduces the average peak plasma concentration of cilazaprilat by 29%, delays the peak by one hour and reduces the bioavailability of cilazaprilat by 14%. These pharmacokinetic changes have little influence on plasma ACE inhibition. ","Absorption":"Maximum plasma concentrations of cilazaprilat are reached within two hours after\r\nadministration of cilazapril. ","Interactions":[{"ID":"DB00594"},{"ID":"DB01395"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00697"},{"ID":"DB00374"},{"ID":"DB00384"}],"Salts":[{"ID":"DBSALT001097","Name":"Cilazapril Hydrate"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00592","Drugs":["DB01340","DB01593"]},{"ID":"SMP00147","Drugs":["DB01340","DB01593"]}]},{"ID":"DB01341","Name":"Dihydroquinidine barbiturate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"Barbiturates work by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. In addition to this GABA-ergic effect, barbiturates also block the AMPA receptor, a subtype of glutamate receptor. Glutamate is the principal excitatory neurotransmitter in the mammalian CNS.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00594"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB01238"},{"ID":"DB01072"},{"ID":"DB00443"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB01242"},{"ID":"DB00318"},{"ID":"DB00091"},{"ID":"DB01151"},{"ID":"DB01234"},{"ID":"DB00514"},{"ID":"DB00390"},{"ID":"DB00343"},{"ID":"DB01142"},{"ID":"DB00254"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB01044"},{"ID":"DB00317"},{"ID":"DB00365"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00458"},{"ID":"DB01137"},{"ID":"DB00367"},{"ID":"DB01378"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB00218"},{"ID":"DB00220"},{"ID":"DB01115"},{"ID":"DB00540"},{"ID":"DB01165"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB00277"},{"ID":"DB00620"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01342","Name":"Forasartan","DrugType":"small molecule","HalfLife":"","Description":"Forasartan, a specific angiotensin II antagonist, is used alone or with other antihypertensive agents to treat hypertension. Forasartan competes with angiotensin II for binding at the AT1 receptor subtype. As angiotensin II is a vasoconstrictor which also stimulates the synthesis and release of aldosterone, blockage of its effects results in a decreases in systemic vascular resistance.","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"For the treatment of hypertension.","Toxicity":"","MechanismOfAction":"Forasartan competes with angiotensin II for binding at the AT\u003csub\u003e1\u003c/sub\u003e receptor subtype. As angiotensin II is a vasoconstrictor which also stimulates the synthesis and release of aldosterone, blockage of its effects results in a decreases in systemic vascular resistance. Also, since angiotensin causes vasoconstriction, the inhibition of this receptor decreases vasoconstriction, which consequently also decreases vascular resistnace.","Pharmacodynamics":"Forasartan, a specific angiotensin II antagonist, is used alone or with other antihypertensive agents to treat hypertension. By inhibiting angiotensin II receptors, this drug leads to a decrease in sodium reabsorption (which decreases water content of blood) and a decrease in vasoconstriction. Combined, this has the effect of lowering blood pressure.","Absorption":"","Interactions":[{"ID":"DB00594"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00160","Drugs":["DB01342","DB01593"]}]},{"ID":"DB01344","Name":"Polystyrene sulfonate","DrugType":"small molecule","HalfLife":"none","Description":"Sodium polystyrene sulfonate is a medication used to treat abnormally high potassium levels. It may be taken orally or by rectum, as an enema, and functions as a potassium-binding resin in the intestines. It is also an effective topical microbicide and spermicide, inhibiting the genital transfection of, among others, HIV. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used to treat abnormally high potassium levels.","Toxicity":"Overdose symptoms may include confusion, irritability, trouble thinking or concentrating, muscle weakness, or trouble breathing.","MechanismOfAction":"Polystyrene sulfonate, which is not absorbed, binds excess potassium, carrying it out of the body. The indigestible potassium polystryene sulfonate complex is excreted with the faeces, preventing the absorption of potassium into the blood stream. Hence, the serum potassium level decreases.","Pharmacodynamics":"Polystyrene sulfonate affects the exchange of sodium and potassium in the body. Polystyrene sulfonate is used to treat high levels of potassium in the blood, also called hyperkalemia. It is a potassium-binding ion-exchange resin that can be administered orally (25 grams in 20% sorbitol) or rectally (50 grams in 20% sorbitol).","Absorption":"Not absorbed following oral administration.","Interactions":[{"ID":"DB01370"},{"ID":"DB00594"},{"ID":"DB01373"},{"ID":"DB00700"},{"ID":"DB01378"},{"ID":"DB01345"},{"ID":"DB00421"},{"ID":"DB00384"}],"Salts":[{"ID":"DBSALT000841","Name":"Calcium polystyrene sulfonate"},{"ID":"DBSALT000840","Name":"Sodium polystyrene sulfonate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01345","Name":"Potassium","DrugType":"small molecule","HalfLife":"","Description":"Potassium is the major cation (positive ion) inside animal cells, while sodium is the major cation outside animal cells. The concentration differences of these charged particles causes a difference in electric potential between the inside and outside of cells, known as the membrane potential. The balance between potassium and sodium is maintained by ion pumps in the cell membrane. The cell membrane potential created by potassium and sodium ions allows the cell generate an action potential—a \"spike\" of electrical discharge. The ability of cells to produce electrical discharge is critical for body functions such as neurotransmission, muscle contraction, and heart function. Potassium is also an essential mineral needed to regulate water balance, blood pressure and levels of acidity.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Potassium is used to regulate hypokalemia as a primary condition or secondary to other medical conditions. ","Toxicity":"","MechanismOfAction":"Potassium is the major cation (positive ion) inside animal cells, while sodium is the major cation outside animal cells. The concentration differences of these charged particles causes a difference in electric potential between the inside and outside of cells, known as the membrane potential. The balance between potassium and sodium is maintained by ion pumps in the cell membrane. The cell membrane potential created by potassium and sodium ions allows the cell generate an action potential—a \"spike\" of electrical discharge. The ability of cells to produce electrical discharge is critical for body functions such as neurotransmission, muscle contraction, and heart function. Potassium is also an essential mineral needed to regulate water balance, blood pressure and levels of acidity.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00594"},{"ID":"DB00542"},{"ID":"DB00796"},{"ID":"DB01197"},{"ID":"DB01340"},{"ID":"DB01395"},{"ID":"DB00584"},{"ID":"DB00700"},{"ID":"DB00876"},{"ID":"DB01342"},{"ID":"DB00492"},{"ID":"DB01029"},{"ID":"DB00722"},{"ID":"DB01356"},{"ID":"DB00678"},{"ID":"DB00691"},{"ID":"DB00790"},{"ID":"DB01344"},{"ID":"DB00881"},{"ID":"DB00178"},{"ID":"DB01347"},{"ID":"DB01348"},{"ID":"DB00421"},{"ID":"DB01349"},{"ID":"DB00966"},{"ID":"DB00519"},{"ID":"DB00384"},{"ID":"DB00177"}],"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00467","Drugs":["DB01345"]},{"ID":"SMP00226","Drugs":["DB01345","DB01593"]},{"ID":"SMP00298","Drugs":["DB01345","DB01373"]},{"ID":"SMP00643","Drugs":["DB01345","DB01373"]},{"ID":"SMP00661","Drugs":["DB01345","DB01373"]},{"ID":"SMP00376","Drugs":["DB01345","DB01373"]},{"ID":"SMP00588","Drugs":["DB01345","DB01373"]},{"ID":"SMP00457","Drugs":["DB01345","DB04465"]},{"ID":"SMP00227","Drugs":["DB01345","DB01593"]},{"ID":"SMP00228","Drugs":["DB01345","DB01593"]},{"ID":"SMP00230","Drugs":["DB01345","DB01593"]},{"ID":"SMP00302","Drugs":["DB01345","DB01373"]},{"ID":"SMP00307","Drugs":["DB01345","DB01373"]},{"ID":"SMP00589","Drugs":["DB01345","DB01593"]},{"ID":"SMP00735","Drugs":["DB01345","DB01593"]},{"ID":"SMP00229","Drugs":["DB01345","DB01593"]},{"ID":"SMP00231","Drugs":["DB01345","DB01593"]},{"ID":"SMP00458","Drugs":["DB01345","DB04465"]},{"ID":"SMP00233","Drugs":["DB00585","DB01345","DB01593"]},{"ID":"SMP00088","Drugs":["DB00151","DB00887","DB01345","DB03904"]},{"ID":"SMP00091","Drugs":["DB00151","DB01325","DB01345","DB03904"]},{"ID":"SMP00108","Drugs":["DB00151","DB00774","DB01345","DB03904"]},{"ID":"SMP00133","Drugs":["DB00151","DB00594","DB01345","DB03904"]},{"ID":"SMP00305","Drugs":["DB01345","DB01359","DB01373"]},{"ID":"SMP00325","Drugs":["DB00280","DB01345","DB01373"]},{"ID":"SMP00332","Drugs":["DB00308","DB01345","DB01373"]},{"ID":"SMP00377","Drugs":["DB01023","DB01345","DB01373"]},{"ID":"SMP00382","Drugs":["DB01054","DB01345","DB01373"]},{"ID":"SMP00657","Drugs":["DB01345","DB01373","DB08807"]},{"ID":"SMP00663","Drugs":["DB01064","DB01345","DB01373"]},{"ID":"SMP00668","Drugs":["DB01295","DB01345","DB01373"]},{"ID":"SMP00680","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00225","Drugs":["DB00736","DB01345","DB01593"]},{"ID":"SMP00232","Drugs":["DB00501","DB01345","DB01593"]},{"ID":"SMP00081","Drugs":["DB00151","DB00232","DB01345","DB03904"]},{"ID":"SMP00105","Drugs":["DB00151","DB00524","DB01345","DB03904"]},{"ID":"SMP00121","Drugs":["DB00151","DB01021","DB01345","DB03904"]},{"ID":"SMP00132","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00297","Drugs":["DB00866","DB01345","DB01373"]},{"ID":"SMP00304","Drugs":["DB01345","DB01373","DB01580"]},{"ID":"SMP00324","Drugs":["DB01035","DB01345","DB01373"]},{"ID":"SMP00331","Drugs":["DB01195","DB01345","DB01373"]},{"ID":"SMP00368","Drugs":["DB00598","DB01345","DB01373"]},{"ID":"SMP00381","Drugs":["DB00401","DB01345","DB01373"]},{"ID":"SMP00461","Drugs":["DB01120","DB01345","DB01373"]},{"ID":"SMP00660","Drugs":["DB00489","DB01345","DB01373"]},{"ID":"SMP00667","Drugs":["DB01214","DB01345","DB01373"]},{"ID":"SMP00679","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00193","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00097","Drugs":["DB00151","DB00903","DB01345","DB03904"]},{"ID":"SMP00110","Drugs":["DB00151","DB00808","DB01345","DB03904"]},{"ID":"SMP00134","Drugs":["DB00151","DB00421","DB01345","DB03904"]},{"ID":"SMP00299","Drugs":["DB00195","DB01345","DB01373"]},{"ID":"SMP00306","Drugs":["DB00960","DB01345","DB01373"]},{"ID":"SMP00326","Drugs":["DB00252","DB01320","DB01345","DB01373"]},{"ID":"SMP00328","Drugs":["DB00281","DB01345","DB01373"]},{"ID":"SMP00359","Drugs":["DB00343","DB01345","DB01373"]},{"ID":"SMP00378","Drugs":["DB00270","DB01345","DB01373"]},{"ID":"SMP00392","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00414","Drugs":["DB00368","DB00988","DB01345","DB01373"]},{"ID":"SMP00453","Drugs":["DB00731","DB01345","DB01373"]},{"ID":"SMP00658","Drugs":["DB00521","DB01345","DB01373"]},{"ID":"SMP00662","Drugs":["DB00841","DB01345","DB01373"]},{"ID":"SMP00664","Drugs":["DB01102","DB01345","DB01373"]},{"ID":"SMP00669","Drugs":["DB01297","DB01345","DB01373"]},{"ID":"SMP00734","Drugs":["DB01345","DB01593","DB08806"]},{"ID":"SMP00246","Drugs":["DB00670","DB01345","DB01593"]},{"ID":"SMP00090","Drugs":["DB00151","DB00436","DB01345","DB03904"]},{"ID":"SMP00184","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00483","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00078","Drugs":["DB00151","DB00880","DB01345","DB03904"]},{"ID":"SMP00100","Drugs":["DB00151","DB00999","DB01345","DB03904"]},{"ID":"SMP00115","Drugs":["DB00151","DB00695","DB01345","DB03904"]},{"ID":"SMP00135","Drugs":["DB00151","DB00700","DB01345","DB03904"]},{"ID":"SMP00300","Drugs":["DB00612","DB01345","DB01373"]},{"ID":"SMP00329","Drugs":["DB00379","DB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A papulopurpuric eruption in a patient (without thrombopenia) can be developed who is taking quinidine phenylethyl barbiturate intermittently and at reintroduction.(PMID: 9739909)","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"Barbiturates work by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. 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Glutamate is the principal excitatory neurotransmitter in the mammalian CNS.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00594"},{"ID":"DB01223"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB01238"},{"ID":"DB01072"},{"ID":"DB00289"},{"ID":"DB00443"},{"ID":"DB00501"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00318"},{"ID":"DB00091"},{"ID":"DB01151"},{"ID":"DB01234"},{"ID":"DB00514"},{"ID":"DB00390"},{"ID":"DB00343"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00254"},{"ID":"DB00199"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00317"},{"ID":"DB00365"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00458"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01137"},{"ID":"DB00367"},{"ID":"DB01378"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB00218"},{"ID":"DB00220"},{"ID":"DB01115"},{"ID":"DB00540"},{"ID":"DB01165"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00908"},{"ID":"DB01369"},{"ID":"DB01045"},{"ID":"DB00976"},{"ID":"DB00277"},{"ID":"DB00679"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01347","Name":"Saprisartan","DrugType":"small molecule","HalfLife":"","Description":"Saprisartan is an AT1 receptor antagonist. It is based on medications of losartan's prototypical chemical structure. The mode of (functional) AT1 receptor antagonism has been characterized as insurmountable/noncompetitive for saprisartan. It is very likely that slow dissociation kinetics from the AT1 receptor underlie insurmountable antagonism.(10579749)","Classification":{"Description":"This compound belongs to the 2-phenylbenzofurans.","DirectParent":"2-Phenylbenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Phenylbenzofurans"},"Indication":"Saprisartan is used in the treatment of hypertension and heart failure.","Toxicity":"","MechanismOfAction":"Saprisartan is a selective, potent, orally active and long-acting nonpeptide Angiotensin II type 1 (AT1) receptor antagonist. Saprisartan blocks the renin-angiotensin-aldosterone system (RAAS) at the level of the AT1 receptor that mediates most, if not all, of the important actions of Ang II. Saprisartan binds reversibly to the AT1 receptors in vascular smooth muscle and the adrenal gland. As angiotensin II is a vasoconstrictor, which also stimulates the synthesis and release of aldosterone, blockage of its effects results in decreases in systemic vascular resistance. AT1 receptor antagonists avoid the nonspecificity of the Ang I converting enzyme (ACE) inhibitors. ","Pharmacodynamics":"By inhibiting the angiotensin II receptor, this drug leades to a decrease in sodium reabsorption and a decrease in vasoconstriction. This has the combined effect of decreasing blood pressure.","Absorption":"","Interactions":[{"ID":"DB00594"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01348","Name":"Spirapril","DrugType":"small molecule","HalfLife":"30 to 35 hours","Description":"Spirapril is an ACE inhibitor antihypertensive drug used to treat hypertension. Like many ACE inhibitors, this is a prodrug which is converted to the active metabolite spiraprilat following oral administration. ACE inhibitors are used primarily in treatment of hypertension and congestive heart failure.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Spirapril is an ACE inhibitor class drug used to treat hypertension.","Toxicity":"","MechanismOfAction":"Spiraprilat, the active metabolite of spirapril, competes with angiotensin I for binding at the angiotensin-converting enzyme, blocking the conversion of angiotensin I to angiotensin II. Inhibition of ACE results in decreased plasma angiotensin II. As angiotensin II is a vasoconstrictor and a negative-feedback mediator for renin activity, lower concentrations result in a decrease in blood pressure and stimulation of baroreceptor reflex mechanisms, which leads to decreased vasopressor activity and to decreased aldosterone secretion. Spiraprilat may also act on kininase II, an enzyme identical to ACE that degrades the vasodilator bradykinin.","Pharmacodynamics":"Spirapril is an angiotensin-converting enzyme (ACE) inhibitor. ACE is a peptidyl dipeptidase that catalyzes the conversion of angiotensin I to the vasoconstrictor substance, angiotensin II. By blocking ACE, spirapril decreases angiotensin II which is a vasoconstrictor and inducer of aldosterone. So by inhibiting the enzymes, aldosterone secreation is decreased (so less sodium is reabsorbed) and there is a decrease in vasoconstriction. Combined, this leades to a decrease in blood pressure.","Absorption":"Bioavailability is 50% following oral administration.","Interactions":[{"ID":"DB00594"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00697"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00156","Drugs":["DB01348","DB01593"]},{"ID":"SMP00598","Drugs":["DB01348","DB01593"]}]},{"ID":"DB01349","Name":"Tasosartan","DrugType":"small molecule","HalfLife":"","Description":"Tasosartan is a long-acting angiotensin II (AngII) receptor blocker. Its long duration of action has been attributed to its active metabolite enoltasosartan. It is used to treat patients with essential hypertension","Classification":{"Description":"This compound belongs to the biphenyltetrazoles and derivatives. These are organic compounds containing a biphenyl attached to a tetrazole. A carbon atom of the biphenyl moiety is boned to a carbon or the nitrogen atom of the tetrazole moiety.","DirectParent":"Biphenyltetrazoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"Tasosartan is infrequently in the treatment of hypertension and heart failure.","Toxicity":"","MechanismOfAction":"Tasosartan is a selective, potent, orally active and long-acting nonpeptide Angiotensin II type 1 (AT1) receptor antagonist. Tasosartan blocks the renin-angiotensin-aldosterone system (RAAS) at the level of the AT1 receptor that mediates most, if not all, of the important actions of Ang II. Tasosartan binds reversibly to the AT1 receptors in vascular smooth muscle and the adrenal gland. As angiotensin II is a vasoconstrictor, which also stimulates the synthesis and release of aldosterone, blockage of its effects results in decreases in systemic vascular resistance. AT1 receptor antagonists avoid the nonspecificity of the Ang I converting enzyme (ACE) inhibitors. ","Pharmacodynamics":"By blocking the angiotensin II (AT1) receptor, the drug ultimately causes vasodilation, reduced secretion of vasopressin (ADH), reduced production and secretion of aldosterone, amongst other actions leading to the combined effect of a reduction of blood pressure.","Absorption":"","Interactions":[{"ID":"DB00594"},{"ID":"DB01356"},{"ID":"DB01345"},{"ID":"DB00384"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01351","Name":"Amobarbital","DrugType":"small molecule","HalfLife":"","Description":"A barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565)","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"Amobarbital (like all barbiturates) works by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. In addition to this GABA-ergic effect, barbiturates also block the AMPA receptor, a subtype of glutamate receptor. Glutamate is the principal excitatory neurotransmitter in the mammalian CNS. Amobarbital also appears to bind neuronal nicotinic acetylcholine receptors. ","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB06210"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00277"},{"ID":"DB00620"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01352","Name":"Aprobarbital","DrugType":"small molecule","HalfLife":"","Description":"Aprobarbital is a barbiturate derivative synthesized in the 1920s by Ernst Preiswerk. It has sedative, hypnotic and anticonvulsant properties, and was used primarily for the treatment of insomnia. Aprobarbital was never as widely used as more common barbiturate derivatives such as phenobarbital and is now rarely prescribed.","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"Aprobarbital (like all barbiturates) works by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. In addition to this GABA-ergic effect, barbiturates also block the AMPA receptor, a subtype of glutamate receptor. Glutamate is the principal excitatory neurotransmitter in the mammalian CNS. Aprobarbital also appears to bind neuronal nicotinic acetylcholine receptors.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00277"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01353","Name":"Butethal","DrugType":"small molecule","HalfLife":"37 hours","Description":"Butethal is a sedative and a hypnotic drug.","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the treatment of insomnia.","Toxicity":"Signs of overdose include confusion (severe), decrease in or loss of reflexes, drowsiness (severe), fever, irritability (continuing), low body temperature, poor judgment, shortness of breath or slow or troubled breathing, slow heartbeat, slurred speech, staggering, trouble in sleeping, unusual movements of the eyes, weakness (severe).","MechanismOfAction":"Butethal binds at a distinct binding site associated with a Cl\u003csup\u003e-\u003c/sup\u003e ionopore at the GABA\u003csub\u003eA\u003c/sub\u003e receptor, increasing the duration of time for which the Cl\u003csup\u003e-\u003c/sup\u003e ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission.","Pharmacodynamics":"Butethal (also known as butobarbitone and butobarbital) belongs to a group of medicines called the barbiturates. It is thought to act on receptors in the brain (GABA receptors) causing the release of the chemical GABA. This chemical inhibits certain areas of the brain resulting in sleepiness. ","Absorption":"Rapidly absorbed following oral administration.","Interactions":[{"ID":"DB01223"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00277"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01354","Name":"Heptabarbital","DrugType":"small molecule","HalfLife":"","Description":"Heptabarbital is an intermediate or short term barbiturate used mainly for sedation and hypnosis.","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Used mainly for sedation and hypnosis.","Toxicity":"Symptoms of an overdose typically include sluggishness, incoordination, difficulty in thinking, slowness of speech, faulty judgment, drowsiness or coma, shallow breathing, staggering, and in severe cases coma and death.","MechanismOfAction":"Heptabarbital (like all barbiturates) works by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. In addition to this GABA-ergic effect, barbiturates also block the AMPA receptor, a subtype of glutamate receptor. Glutamate is the principal excitatory neurotransmitter in the mammalian CNS. Heptabarbital also appears to bind neuronal nicotinic acetylcholine receptors.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00277"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01355","Name":"Hexobarbital","DrugType":"small molecule","HalfLife":"","Description":"A barbiturate that is effective as a hypnotic and sedative. [PubChem]","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the induction of anesthesia prior to the use of other general anesthetic agents and for induction of anesthesia for short surgical, diagnostic, or therapeutic procedures associated with minimal painful stimuli.","Toxicity":"Symptoms of an overdose typically include sluggishness, incoordination, difficulty in thinking, slowness of speech, faulty judgment, drowsiness or coma, shallow breathing, staggering, and in severe cases coma and death.","MechanismOfAction":"Hexobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABA-A receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged.","Pharmacodynamics":"Hexobarbital is a barbiturate derivative having hypnotic and sedative effects. It was used in the 1940s-1950s as an agent for inducing anesthesia for surgery and has a relatively fast onset of effects and short duration of action. However it can be difficult to control the depth of anesthesia with hexobarbital which makes it quite dangerous, and it has now been replaced by safer drugs in human medicine, usually thiopental would be the barbiturate of choice for this application these days.","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00443"},{"ID":"DB00882"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB01234"},{"ID":"DB00255"},{"ID":"DB00254"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01023"},{"ID":"DB00687"},{"ID":"DB00158"},{"ID":"DB00317"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB00367"},{"ID":"DB00603"},{"ID":"DB00351"},{"ID":"DB00333"},{"ID":"DB00916"},{"ID":"DB01115"},{"ID":"DB00717"},{"ID":"DB01303"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00908"},{"ID":"DB00277"},{"ID":"DB00620"}],"Salts":[{"ID":"DBSALT000914","Name":"Hexobarbital sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01356","Name":"Lithium","DrugType":"small molecule","HalfLife":"","Description":"Lithium was used during the 19th century to treat gout. Lithium salts such as lithium carbonate (Li2CO3), lithium citrate, and lithium orotate are mood stabilizers. They are used in the treatment of bipolar disorder, since unlike most other mood altering drugs, they counteract both mania and depression. Lithium can also be used to augment other antidepressant drugs. It is also sometimes prescribed as a preventive treatment for migraine disease and cluster headaches. The active principle in these salts is the lithium ion Li+, which having a smaller diameter, can easily displace K+ and Na+ and even Ca+2, in spite of its greater charge, occupying their sites in several critical neuronal enzymes and neurotransmitter receptors.","Classification":{"Description":"This compound belongs to the homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom.","DirectParent":"Homogeneous Alkali Metal Compounds","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Metal Compounds","Class":"Homogeneous Alkali Metal Compounds","SubClass":""},"Indication":"Lithium is used as a mood stabilizer, and is used for treatment of depression and mania. It is often used in bipolar disorder treatment.","Toxicity":"","MechanismOfAction":"The precise mechanism of action of Li+ as a mood-stabilizing agent is currently unknown. It is possible that Li+ produces its effects by interacting with the transport of monovalent or divalent cations in neurons. An increasing number of scientists have come to the conclusion that the excitatory neurotransmitter glutamate is the key factor in understanding how lithium works. Lithium has been shown to change the inward and outward currents of glutamate receptors (especially GluR3), without a shift in reversal potential. Lithium has been found to exert a dual effect on glutamate receptors, acting to keep the amount of glutamate active between cells at a stable, healthy level, neither too much nor too little. It is postulated that too much glutamate in the space between neurons causes mania, and too little, depression. Another mechanism by which lithium might help to regulate mood include the non-competitive inhibition of an enzyme called inositol monophosphatase. Alternately lithium's action may be enhanced through the deactivation of the GSK-3B enzyme. The regulation of GSK-3B by lithium may affect the circadian clock. GSK-3 is known for phosphorylating and thus inactivating glycogen synthase. GSK-3B has also been implicated in the control of cellular response to damaged DNA. GSK-3 normally phosphorylates beta catenin, which leads to beta catenin degratation. When GSK-3 is inhibited, beta catenin increases and transgenic mice with overexpression of beta catenin express similar behaviour to mice treated with lithium. These results suggest that increase of beta catenin may be a possible pathway for the therapeutic action of lithium. ","Pharmacodynamics":"Although lithium has been used for over 50 years in treatment of bipolar disorder, the mechanism of action is still unknown. Lithium's therapeutic action may be due to a number of effects, ranging from inhibition of enzymes such as glycogen synthase kinase 3, inositol phosphatases, or modulation of glutamate receptors. ","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB08822"},{"ID":"DB00542"},{"ID":"DB00436"},{"ID":"DB00562"},{"ID":"DB00201"},{"ID":"DB00796"},{"ID":"DB01197"},{"ID":"DB00482"},{"ID":"DB00880"},{"ID":"DB00310"},{"ID":"DB01340"},{"ID":"DB04272"},{"ID":"DB00606"},{"ID":"DB06700"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB00651"},{"ID":"DB00584"},{"ID":"DB00700"},{"ID":"DB00876"},{"ID":"DB01628"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01342"},{"ID":"DB00492"},{"ID":"DB00502"},{"ID":"DB00999"},{"ID":"DB00774"},{"ID":"DB01050"},{"ID":"DB00808"},{"ID":"DB00328"},{"ID":"DB05247"},{"ID":"DB01029"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB00722"},{"ID":"DB00678"},{"ID":"DB01283"},{"ID":"DB00784"},{"ID":"DB00814"},{"ID":"DB00232"},{"ID":"DB00968"},{"ID":"DB00524"},{"ID":"DB00916"},{"ID":"DB00691"},{"ID":"DB00788"},{"ID":"DB01303"},{"ID":"DB00790"},{"ID":"DB00812"},{"ID":"DB00554"},{"ID":"DB01324"},{"ID":"DB01345"},{"ID":"DB00881"},{"ID":"DB01325"},{"ID":"DB00178"},{"ID":"DB00533"},{"ID":"DB00017"},{"ID":"DB01347"},{"ID":"DB01105"},{"ID":"DB01390"},{"ID":"DB01348"},{"ID":"DB00669"},{"ID":"DB01349"},{"ID":"DB00966"},{"ID":"DB00469"},{"ID":"DB04844"},{"ID":"DB00277"},{"ID":"DB01600"},{"ID":"DB00684"},{"ID":"DB00500"},{"ID":"DB00273"},{"ID":"DB00519"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB01021"},{"ID":"DB00726"},{"ID":"DB00580"},{"ID":"DB00177"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT001075","Name":"Lithium carbonate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01357","Name":"Mestranol","DrugType":"small molecule","HalfLife":"","Description":"The 3-methyl ether of ethinyl estradiol. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL contraceptives. [PubChem]","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"Mestranol was used as one of the first oral contraceptives.","Toxicity":"","MechanismOfAction":"Mestranol is the 3-methyl ether of ethinylestradiol. Ethinylestradiol, is a synthetic derivative of estradiol. Ethinylestradiol is orally bio-active and the estrogen used in almost all modern formulations of combined oral contraceptive pills. It binds to (and activates) the estrogen receptor. Mestranol is a biologically inactive prodrug of ethinylestradiol to which it is demethylated in the liver with a conversion efficiency of 70%.\r\n\r\nEstrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH).","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB01060"},{"ID":"DB00415"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB06697"},{"ID":"DB01053"},{"ID":"DB00559"},{"ID":"DB00564"},{"ID":"DB00578"},{"ID":"DB00766"},{"ID":"DB01147"},{"ID":"DB00930"},{"ID":"DB00091"},{"ID":"DB00618"},{"ID":"DB00485"},{"ID":"DB00254"},{"ID":"DB00301"},{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00555"},{"ID":"DB01017"},{"ID":"DB00745"},{"ID":"DB00220"},{"ID":"DB00776"},{"ID":"DB01303"},{"ID":"DB00417"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01132"},{"ID":"DB00319"},{"ID":"DB01604"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00481"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00759"},{"ID":"DB00277"},{"ID":"DB00599"},{"ID":"DB00932"},{"ID":"DB00697"},{"ID":"DB01124"},{"ID":"DB00273"},{"ID":"DB00755"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01359","Name":"Penbutolol","DrugType":"small molecule","HalfLife":"Plasma= approximately 5h\r\nConjugated= approximately 20h in healthy persons, 25h in healthy elderly persons, and 100h in patients on renal dialysis. ","Description":"Penbutolol is a drug in the beta-blocker class used to treat hypertension. Penbutolol binds both beta-1 and beta-2 adrenergic receptors, rendering it a non-selective beta-blocker. Penbutolol can act as a partial agonist at beta adrenergic receptors, since it is a sympathomimetric drug. Penbutolol also demonstrates high binding affinity to the 5-hydroxytryptamine receptor 1A with antagonistic effects. This binding characteristic of penbutolol is being investigated for its implications in Antidepressant Therapy. Penbutolol is contraindicated in patients with cardiogenic shock, sinus bradycardia, second and third degree atrioventricular conduction block, bronchial asthma, and those with known hypersensitivity.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Penbutolol is indicated in the treatment of mild to moderate arterial hypertension. It may be used alone or in combination with other antihypertensive agents, especially thiazide-type diuretics.Penbutolol is contraindicated in patients with cardiogenic shock, sinus bradycardia, second and third degree atrioventricular conduction block, bronchial asthma, and those with known hypersensitivity.","Toxicity":"Symptoms of overdose include drowsiness, vertigo, headache, and atriventricular block.","MechanismOfAction":"Penbutolol acts on the β1 adrenergic receptors in both the heart and the kidney. When β1 receptors are activated by catecholamines, they stimulate a coupled G protein that leads to the conversion of adenosine triphosphate (ATP) to cyclic adenosine monophosphate (cAMP). The increase in cAMP leads to activation of protein kinase A (PKA), which alters the movement of calcium ions in heart muscle and increases the heart rate. Penbutolol blocks the catecholamine activation of β1 adrenergic receptors and decreases heart rate, which lowers blood pressure.","Pharmacodynamics":"Penbutolol is a ß-1, ß-2 (nonselective) adrenergic receptor antagonist. Experimental studies showed a dose-dependent increase in heart rate in reserpinized (norepinephrine-depleted) rats given penbutolol intravenously at doses of 0.25 to 1.0 mg/kg, suggesting that penbutolol has some intrinsic sympathomimetic activity. In human studies, however, heart rate decreases have been similar to those seen with propranolol.","Absorption":"\u003e90%.","Interactions":[{"ID":"DB01223"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB00281"},{"ID":"DB00968"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB01303"},{"ID":"DB00236"},{"ID":"DB00554"},{"ID":"DB00457"},{"ID":"DB00912"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00277"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT000137","Name":"Penbutolol sulfate"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00305","Drugs":["DB01345","DB01359","DB01373"]}]},{"ID":"DB01361","Name":"Troleandomycin","DrugType":"small molecule","HalfLife":"","Description":"A macrolide antibiotic that is similar to erythromycin.","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"For the treatment of Pneumococcal pneumonia due to susceptible strains and group A beta-hemolytic streptococcal infections of the upper respiratory tract.","Toxicity":"Symptoms of overdose include diarrhea, nausea, stomach cramps, and vomiting.","MechanismOfAction":"Troleandomycin acts by penetrating the bacterial cell membrane and reversibly binding to the 50 S subunit of bacterial ribosomes or near the \"P\" or donor site so that binding of tRNA (transfer RNA) to the donor site is blocked. Translocation of peptides from the \"A\" or acceptor site to the \"P\" or donor site is prevented, and subsequent protein synthesis is inhibited.","Pharmacodynamics":"Troleandomycin is a macrolide antibiotic that is similar to erythromycin. It is active in vitro against the following gram-positive organisms: \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e and \u003ci\u003eDiplococcus pneumoniae\u003c/i\u003e.","Absorption":"","Interactions":[{"ID":"DB01223"},{"ID":"DB00673"},{"ID":"DB00637"},{"ID":"DB00564"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01394"},{"ID":"DB00091"},{"ID":"DB00320"},{"ID":"DB00216"},{"ID":"DB00700"},{"ID":"DB00696"},{"ID":"DB00530"},{"ID":"DB00472"},{"ID":"DB00247"},{"ID":"DB01303"},{"ID":"DB01100"},{"ID":"DB00864"},{"ID":"DB00342"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00730","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01361","DB01972","DB02431","DB03685"]}]},{"ID":"DB01362","Name":"Iohexol","DrugType":"small molecule","HalfLife":"Intrathecal half-life is 3.4 hours (mean). Intravascular is approximately 2 hours (with normal renal function).","Description":"Iohexol is an effective non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures. Its low systemic toxicity is the combined result of low chemotoxicity and low osmolality. [PubChem]","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"Iohexol ia used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures.","Toxicity":"Non-ionic radiocontrast agents like iohexol are cytotoxic to renal cells. The toxic effects include apoptosis, cellular energy failure, disruption of calcium homeostasis, and disturbance of tubular cell polarity, and are thought to be linked to oxidative stress.","MechanismOfAction":"Organic iodine compounds block x-rays as they pass through the body, thereby allowing body structures containing iodine to be delineated in contrast to those structures that do not contain iodine. The degree of opacity produced by these compounds is directly proportional to the total amount (concentration and volume) of the iodinated contrast agent in the path of the x-rays. After intrathecal administration into the subarachnoid space, diffusion of iohexol in the CSF allows the visualization of the subarachnoid spaces of the head and spinal canal. After intravascular administration, iohexol makes opaque those vessels in its path of flow, allowing visualization of the internal structures until significant hemodilution occurs.","Pharmacodynamics":"Iohexol is an effective non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures. Its low systemic toxicity is the combined result of low chemotoxicity and low osmolality.","Absorption":"Small amounts are absorbed through the bladder via intravesical instillation. Following intrauterine instillation, the majority of the medium within the uterine cavity is discharged into the vagina immediately upon termination of procedure. However, any medium retained in the uterine or peritoneal cavity is absorbed systemically within 60 minutes. May not be absorbed for up to 24 hours if tubes are obstructed and dilated.","Interactions":[{"ID":"DB01118"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01363","Name":"Ephedra","DrugType":"small molecule","HalfLife":"","Description":"Ephedra is an alkaloid chemical compound traditionally obtained from the plant \u003ci\u003eEphedra sinica\u003c/i\u003e. The sale of ephedra-containing supplements was banned in the United States in 2004. The drug is still sold in Canada in OTC formulations.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Ephedra is widely used by athletes, despite a lack of evidence that it enhances athletic performance. Ephedra has also been used for weight loss.","Toxicity":"","MechanismOfAction":"The alkaloids ephedrine and pseudoephedrine are the active constituents of Ephedra. Pseudoephedrine is used in over-the-counter decongestants. Derivatives of ephedrine are used to treat low blood pressure, but alternatives with reduced cardiovascular risk have replaced it for treating asthma. Ephedrine is also considered a performance-enhancing drug and is prohibited in most competitive sports. Ephedrine is a sympathomimetic amine - that is, its principal mechanism of action relies on its direct and indirect actions on the adrenergic receptor system, which is part of the sympathetic nervous system. Ephedrine increases post-synaptic noradrenergic receptor activity by (weakly) directly activating post-synaptic α-receptors and β-receptors, but the bulk of its effect comes from the pre-synaptic neuron being unable to distinguish between real adrenaline or noradrenaline from ephedrine. The ephedrine, mixed with noradrenaline, is transported through the noradrenaline reuptake complex and packaged (along with real noradrenaline) into vesicles that reside at the terminal button of a nerve cell. Ephedrine's action as an agonist at most major noradrenaline receptors and its ability to increase the release of both dopamine and to a lesser extent, serotonin by the same mechanism is presumed to have a major role in its mechanism of action.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00519"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true,"withdrawn":true},"Pathways":null},{"ID":"DB01364","Name":"Ephedrine","DrugType":"small molecule","HalfLife":"3-6 hours","Description":"An alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used in the treatment of several disorders including asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Ephedrine commonly used as a stimulant, appetite suppressant, concentration aid, decongestant, and to treat hypotension associated with anaesthesia.","Toxicity":"Cardiovascular: tachycardia, cardiac arrhythmias, angina pectoris, vasoconstriction with hypertension","MechanismOfAction":"Ephedrine is a sympathomimetic amine - that is, its principal mechanism of action relies on its direct and indirect actions on the adrenergic receptor system, which is part of the sympathetic nervous system. Ephedrine increases post-synaptic noradrenergic receptor activity by (weakly) directly activating post-synaptic α-receptors and β-receptors, but the bulk of its effect comes from the pre-synaptic neuron being unable to distinguish between real adrenaline or noradrenaline from ephedrine. The ephedrine, mixed with noradrenaline, is transported through the noradrenaline reuptake complex and packaged (along with real noradrenaline) into vesicles that reside at the terminal button of a nerve cell. Ephedrine's action as an agonist at most major noradrenaline receptors and its ability to increase the release of both dopamine and to a lesser extent, serotonin by the same mechanism is presumed to have a major role in its mechanism of action.\r\n","Pharmacodynamics":"Ephedrine is similar in structure to the derivatives amphetamine and methamphetamine. Chemically, it is an alkaloid derived from various plants in the genus Ephedra (family Ephedraceae). It works mainly by increasing the activity of noradrenaline on adrenergic receptors.","Absorption":"85%","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01142"},{"ID":"DB01170"},{"ID":"DB00458"},{"ID":"DB06704"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB05271"},{"ID":"DB00752"},{"ID":"DB00285"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01365","Name":"Mephentermine","DrugType":"small molecule","HalfLife":"17 to 18 hours.","Description":"A sympathomimetic agent with mainly indirect effects on adrenergic receptors. It is used to maintain blood pressure in hypotensive states, for example, following spinal anesthesia. Although the central stimulant effects of mephentermine are much less than those of amphetamine, its use may lead to amphetamine-type dependence. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1248)","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Used to maintain blood pressure in hypotensive states.","Toxicity":"","MechanismOfAction":"Mephentermine is an alpha adrenergic receptor agonist, but also acts indirectly by releasing endogenous norepinephrine. Cardiac output and systolic and diastolic pressures are usually increased. A change in heart rate is variable, depending on the degree of vagal tone. Sometimes the net vascular effect may be vasodilation. Large doses may depress the myocardium or produce central nervous system (CNS) effects.","Pharmacodynamics":"Mephentermine is a sympathomimetic agent with mainly indirect effects on adrenergic receptors. It is used to maintain blood pressure in hypotensive states, for example, following spinal anesthesia. Although the central stimulant effects of mephentermine are much less than those of amphetamine, its use may lead to amphetamine-type dependence. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1248)","Absorption":"","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00752"},{"ID":"DB00726"}],"Salts":[{"ID":"DBSALT001074","Name":"Mephentermine sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01366","Name":"Procaterol","DrugType":"small molecule","HalfLife":"","Description":"A long-acting beta-2-adrenergic receptor agonist. It is a potent bronchodilator that may be administered orally or by aerosol inhalation. [PubChem]","Classification":{"Description":"This compound belongs to the hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group.","DirectParent":"Hydroxyquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroxyquinolines"},"Indication":"For the treatment of asthma and chronic obstructive pulmonary disease (COPD).","Toxicity":"Symptoms of overdose include angina (chest pain), dizziness, dry mouth, fatigue, flu-like symptoms, headache, heart irregularities, high or low blood pressure, high blood sugar, insomnia, muscle cramps, nausea, nervousness, rapid heartbeat, seizures, and tremor.","MechanismOfAction":"Beta(2)-receptor stimulation in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow.","Pharmacodynamics":"Procaterol is a long-acting beta-2-adrenergic receptor agonist. It is a potent bronchodilator that may be administered orally or by aerosol inhalation.","Absorption":"Because of the small therapeutic dose, systemic levels of salmeterol are low or undetectable after inhalation of recommended doses.","Interactions":[{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB01142"},{"ID":"DB00187"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB00598"},{"ID":"DB00601"},{"ID":"DB00968"},{"ID":"DB00264"},{"ID":"DB00211"},{"ID":"DB01171"},{"ID":"DB01203"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00373"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01367","Name":"Rasagiline","DrugType":"small molecule","HalfLife":"Rasagiline has a mean steady-state half life of 3 hours but there is no correlation of pharmacokinetics with its pharmacological effect because of its irreversible inhibition of MAO-B.","Description":"Rasagiline is an irreversible inhibitor of monoamine oxidase and is used as a monotherapy in early Parkinson's disease or as an adjunct therapy in more advanced cases.","Classification":{"Description":"This compound belongs to the indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.","DirectParent":"Indanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":""},"Indication":"For the treatment of the signs and symptoms of idiopathic Parkinsons disease as initial monotherapy and as adjunct therapy to levodopa.","Toxicity":"Signs and symptoms of overdosage may include, alone or in combination, any of the following: drowsiness, dizziness, faintness, irritability, hyperactivity, agitation, severe headache, hallucinations, trismus, opisthotonos, convulsions, and coma; rapid and irregular pulse, hypertension, hypotension and vascular collapse; precordial pain, respiratory depression and failure, hyperpyrexia, diaphoresis, and cool, clammy skin.","MechanismOfAction":"The precise mechanisms of action of rasagiline is unknown. One mechanism is believed to be related to its MAO-B inhibitory activity, which causes an increase in extracellular levels of dopamine in the striatum. The elevated dopamine level and subsequent increased dopaminergic activity are likely to mediate rasagiline's beneficial effects seen in models of dopaminergic motor dysfunction.","Pharmacodynamics":"Rasagiline is a propargylamine and an irreversible inhibitor of monoamine oxidase (MAO). MAO, a flavin-containing enzyme, regulates the metabolic degradation of catecholamines and serotonin in the CNS and peripheral tissues. It is classified into two major molecular species, A and B, and is localized in mitochondrial membranes throughout the body in nerve terminals, brain, liver and intestinal mucosa. MAO-A is found predominantly in the GI tract and liver, and regulates the metabolic degradation of circulating catecholamines and dietary amines. MAO-B is the major form in the human brain and is responsible for the regulation of the metabolic degradation of dopamine and phenylethylamine. In ex vivo animal studies in brain, liver and intestinal tissues rasagiline was shown to be a potent,selective, and irreversible monoamine oxidase type B (MAO-B) inhibitor. At the recommended therapeutic doses, Rasagiline was also shown to be a potent and irreversible inhibitor of MAO-B in platelets. The selectivity of rasagiline for inhibiting only MAO-B (and not MAO-A) in humans and the sensitivity to tyramine during rasagiline treatment at any dose has not been sufficiently characterized to avoid restriction of dietary tyramine and amines contained in medications.","Absorption":"Rasagiline is rapidly absorbed following oral administration. The absolute bioavailability of rasagiline is about 36%.","Interactions":[{"ID":"DB00488"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00182"},{"ID":"DB00289"},{"ID":"DB00865"},{"ID":"DB01393"},{"ID":"DB00484"},{"ID":"DB00921"},{"ID":"DB01156"},{"ID":"DB00490"},{"ID":"DB00537"},{"ID":"DB00215"},{"ID":"DB01242"},{"ID":"DB00924"},{"ID":"DB01151"},{"ID":"DB06700"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00514"},{"ID":"DB00937"},{"ID":"DB00841"},{"ID":"DB00988"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB01363"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01175"},{"ID":"DB00574"},{"ID":"DB01288"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00458"},{"ID":"DB01064"},{"ID":"DB00579"},{"ID":"DB01365"},{"ID":"DB00610"},{"ID":"DB01577"},{"ID":"DB00723"},{"ID":"DB00422"},{"ID":"DB00211"},{"ID":"DB04896"},{"ID":"DB00370"},{"ID":"DB01149"},{"ID":"DB00368"},{"ID":"DB00540"},{"ID":"DB00816"},{"ID":"DB00715"},{"ID":"DB00454"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB01291"},{"ID":"DB01366"},{"ID":"DB00344"},{"ID":"DB00852"},{"ID":"DB01001"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB06204"},{"ID":"DB00871"},{"ID":"DB04844"},{"ID":"DB00323"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01369","Name":"Quinupristin","DrugType":"small molecule","HalfLife":"3.1 hours","Description":"Quinupristin/dalfopristin is a combination of two antibiotics used to treat infections by staphylococci and by vancomycin-resistant Enterococcus faecium. Dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome and quinupristin inhibits the late phase of protein synthesis. The combination of the two components acts synergistically and is more effective in vitro than each component alone.","Classification":{"Description":"This compound belongs to the cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.","DirectParent":"Cyclic Depsipeptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of bacterial infections (usually in combination with dalfopristin).","Toxicity":"","MechanismOfAction":"Quinupristin inhibits the late phase of protein synthesis in the bacterial ribosome. Dalfopristin binds to the 23S portion of the 50S ribosomal subunit, and changes the conformation it, enhancing the binding of quinupristin by a factor of about 100. In addition, it inhibits peptidyl transferase. Quinupristin binds to a nearby site on the 50S ribosomal subunit and prevents elongation of the polypeptide as well as causing incomplete chains to be released.","Pharmacodynamics":"Quinupristin is a streptogramin antibiotic, derived from pristinamycin I. By inhibiting the bacterial ribosomal subunits, protein synthesis is inhibited thus leading to eventual bacterial cell death or stasis.","Absorption":"","Interactions":[{"ID":"DB00381"},{"ID":"DB01169"},{"ID":"DB00637"},{"ID":"DB01076"},{"ID":"DB00564"},{"ID":"DB00439"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB00091"},{"ID":"DB00705"},{"ID":"DB00829"},{"ID":"DB01341"},{"ID":"DB00343"},{"ID":"DB00280"},{"ID":"DB01248"},{"ID":"DB00204"},{"ID":"DB00450"},{"ID":"DB00199"},{"ID":"DB00773"},{"ID":"DB00949"},{"ID":"DB01023"},{"ID":"DB01195"},{"ID":"DB00529"},{"ID":"DB01320"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01218"},{"ID":"DB00224"},{"ID":"DB00270"},{"ID":"DB00528"},{"ID":"DB01137"},{"ID":"DB01227"},{"ID":"DB00281"},{"ID":"DB00678"},{"ID":"DB00227"},{"ID":"DB00959"},{"ID":"DB00683"},{"ID":"DB00691"},{"ID":"DB00218"},{"ID":"DB00238"},{"ID":"DB00622"},{"ID":"DB01115"},{"ID":"DB00393"},{"ID":"DB00401"},{"ID":"DB00104"},{"ID":"DB01229"},{"ID":"DB00738"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00503"},{"ID":"DB00938"},{"ID":"DB00641"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00444"},{"ID":"DB00342"},{"ID":"DB00697"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00309"},{"ID":"DB00361"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01370","Name":"Aluminium","DrugType":"small molecule","HalfLife":"","Description":"A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98. [PubChem]","Classification":{"Description":"This compound belongs to the homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom.","DirectParent":"Homogeneous Post-transition Metal Compounds","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Metal Compounds","Class":"Homogeneous Post-transition Metal Compounds","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"Aluminum Acetate is an astringent. An astrignent is a chemical that tends to shrink or constrict body tissues, usually locally after topical medicinal application. The shrinkage or constriction is through osmotic flow of water (or other fluids) away from the area where the astringent was applied. Astringent medicines cause shrinkage of mucous membranes or exposed tissues and are often used internally to check discharge of blood serum or mucous secretions. This can happen with a sore throat, hemorrhages, diarrhea, or with peptic ulcers. Externally applied astringents, which cause mild coagulation of skin proteins, dry, harden, and protect the skin. Acne sufferers are often advised to use astringents if they have oily skin. Astringents also help heal stretch marks and other scars. Mild astringent solutions are used in the relief of such minor skin irritations as those resulting from superficial cuts, allergies, insect bites, or fungal infections such as athlete's foot. ","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00608"},{"ID":"DB00537"},{"ID":"DB01190"},{"ID":"DB00720"},{"ID":"DB00250"},{"ID":"DB01609"},{"ID":"DB00705"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB01077"},{"ID":"DB01319"},{"ID":"DB01044"},{"ID":"DB01155"},{"ID":"DB00365"},{"ID":"DB00710"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01137"},{"ID":"DB01627"},{"ID":"DB01017"},{"ID":"DB00218"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB00299"},{"ID":"DB01344"},{"ID":"DB00759"},{"ID":"DB00685"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01373","Name":"Calcium","DrugType":"small molecule","HalfLife":"","Description":"Calcium plays a vital role in the anatomy, physiology and biochemistry of organisms and of the cell, particularly in signal transduction pathways. The skeleton acts as a major mineral storage site for the element and releases Ca2+ ions into the bloodstream under controlled conditions. Circulating calcium is either in the free, ionized form or bound to blood proteins such as serum albumin. Although calcium flow to and from the bone is neutral, about 5 mmol is turned over a day. Bone serves as an important storage point for calcium, as it contains 99% of the total body calcium. Low calcium intake may also be a risk factor in the development of osteoporosis. The best-absorbed form of calcium from a pill is a calcium salt like carbonate or phosphate. Calcium gluconate and calcium lactate are absorbed well by pregnant women. Seniors absorb calcium lactate, gluconate and citrate better unless they take their calcium supplement with a full breakfast.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Calcium plays a vital role in the anatomy, physiology and biochemistry of organisms and of the cell, particularly in signal transduction pathways. It is vital in cell signaling, muscular contractions, bone health, and signalling cascades.","Toxicity":"","MechanismOfAction":"Calcium plays a vital role in the anatomy, physiology and biochemistry of organisms and of the cell, particularly in signal transduction pathways. More than 500 human proteins are known to bind or transport calcium. The skeleton acts as a major mineral storage site for the element and releases Ca2+ ions into the bloodstream under controlled conditions. Circulating calcium is either in the free, ionized form or bound to blood proteins such as serum albumin. Parathyroid hormone (secreted from the parathyroid gland) regulates the resorption of Ca2+ from bone. Calcitonin stimulates incorporation of calcium in bone, although this process is largely independent of calcitonin. Although calcium flow to and from the bone is neutral, about 5 mmol is turned over a day. Bone serves as an important storage point for calcium, as it contains 99% of the total body calcium. Low calcium intake may also be a risk factor in the development of osteoporosis. The best-absorbed form of calcium from a pill is a calcium salt like carbonate or phosphate. Calcium gluconate and calcium lactate are absorbed well by pregnant women. Seniors absorb calcium lactate, gluconate and citrate better unless they take their calcium supplement with a full breakfast. The currently recommended calcium intake is 1,500 milligrams per day for women not taking estrogen and 800 milligrams per day for women on estrogen. There is close to 300 milligrams of calcium in one cup of fluid milk. Calcium carbonate is currently the best and least expensive form of calcium supplement available.","Pharmacodynamics":"Calcium (Ca2+) plays a pivotal role in the physiology and biochemistry of organisms and the cell. It plays an important role in signal transduction pathways, where it acts as a second messenger, in neurotransmitter release from neurons, contraction of all muscle cell types, and fertilization. Many enzymes require calcium ions as a cofactor, those of the blood-clotting cascade being notable examples. Extracellular calcium is also important for maintaining the potential difference across excitable cell membranes, as well as proper bone formation.","Absorption":"","Interactions":[{"ID":"DB00630"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00608"},{"ID":"DB00537"},{"ID":"DB00720"},{"ID":"DB00250"},{"ID":"DB08826"},{"ID":"DB00705"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00467"},{"ID":"DB01077"},{"ID":"DB01319"},{"ID":"DB00365"},{"ID":"DB00710"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01137"},{"ID":"DB00451"},{"ID":"DB00978"},{"ID":"DB00931"},{"ID":"DB01017"},{"ID":"DB00218"},{"ID":"DB00688"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB00595"},{"ID":"DB00487"},{"ID":"DB01344"},{"ID":"DB00884"},{"ID":"DB01405"},{"ID":"DB00759"},{"ID":"DB00685"}],"Salts":[{"ID":"DBSALT001052","Name":"Calcium 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molecule","HalfLife":"","Description":"Aluminium monostearate is an organic compound which is a salt of stearic acid and aluminium. It has the molecular formula Al(OH)2C18H35O2. It is also referred to as dihydroxyaluminium or dihydroxy(stearato)aluminium.\r\n\r\nIt is used to form gels in the packaging of pharmaceuticals, and in the preparation of colors for cosmetics. It is usually safe in commercial products, but aluminium may accumulate in the body.","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"Aluminum hydroxide is one component of the antacids recommended in the treatment of stomach ulcers and gastritis. Antacids perform a neutralization reaction, ie. they buffer gastric acid, raising the pH to reduce acidity in the stomach. When gastric hydrochloric acid reaches the nerves in the gasitrointestinal mucosa, they signal pain to the central nervous system. This happens when these nerves are exposed, as in peptic ulcers. The gastric acid may also reach ulcers in the esophagus or the duodenum. Other mechanisms may contribute, such as the effect of aluminum ions inhibiting smooth muscle cell contraction and delaying gastric emptying. Aluminum is known to bind troponin C (a muscle protein) and to interfere with voltage-dependent calcium transport. Aluminum also binds to and inhibits the activity of mitochondrial voltage gated channels (VDAC).","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00608"},{"ID":"DB00537"},{"ID":"DB01190"},{"ID":"DB00720"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01377","Name":"Magnesium oxide","DrugType":"small molecule","HalfLife":"","Description":"Magnesium oxide is an inorganic compound that occurs in nature as the mineral periclase. In aqueous media combines quickly with water to form magnesium hydroxide. It is used as an antacid and mild laxative and has many nonmedicinal uses. [PubChem]","Classification":{"Description":"This compound belongs to the alkaline earth metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkaline earth metal.","DirectParent":"Alkaline Earth Metal Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Alkaline Earth Metal Organides","SubClass":"Alkaline Earth Metal Oxides"},"Indication":"Magnesium hydroxide is used as a laxative to relieve occasional constipation (irregularity) and as an antacid to relieve indigestion, sour stomach, and heartburn.","Toxicity":"","MechanismOfAction":"The term \"Milk of Magnesia\" was first used to describe a white aqueous, mildly alkaline suspension of magnesium hydroxide formulated at about 8%w/v. Milk of magnesia is primarily used to alleviate constipation, but can also be used to relieve indigestion and heartburn. When taken internally by mouth as a laxative, the osmotic force of the magnesia suspension acts to draw fluids from the body and to retain those already within the lumen of the intestine, serving to distend the bowel, thus stimulating nerves within the colon wall, inducing peristalsis and resulting in evacuation of colonic contents. Magnesium supplements have also been shown to reduce platelet aggregation by inhibiting in the influx of calcium, a crucial component of platelet aggregation.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00608"},{"ID":"DB00537"},{"ID":"DB00720"},{"ID":"DB00250"},{"ID":"DB00705"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB01077"},{"ID":"DB01319"},{"ID":"DB01044"},{"ID":"DB01155"},{"ID":"DB00365"},{"ID":"DB00710"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01137"},{"ID":"DB01017"},{"ID":"DB00218"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB01133"},{"ID":"DB00685"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01378","Name":"Magnesium","DrugType":"small molecule","HalfLife":"","Description":"Magnesium hydroxide is used primarily in \"Milk of Magnesia\", a white aqueous, mildly alkaline suspension of magnesium hydroxide formulated at about 8%w/v. Milk of magnesia is primarily used to alleviate constipation, but can also be used to relieve indigestion and heartburn. When taken internally by mouth as a laxative, the osmotic force of the magnesia suspension acts to draw fluids from the body and to retain those already within the lumen of the intestine, serving to distend the bowel, thus stimulating nerves within the colon wall, inducing peristalsis and resulting in evacuation of colonic contents. ","Classification":{"Description":"This compound belongs to the homogeneous alkaline earth metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkaline earth metal atom.","DirectParent":"Homogeneous Alkaline Earth Metal Compounds","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Metal Compounds","Class":"Homogeneous Alkaline Earth Metal Compounds","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00630"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00608"},{"ID":"DB00537"},{"ID":"DB00720"},{"ID":"DB00250"},{"ID":"DB08826"},{"ID":"DB00705"},{"ID":"DB00618"},{"ID":"DB01341"},{"ID":"DB00254"},{"ID":"DB00467"},{"ID":"DB01077"},{"ID":"DB01319"},{"ID":"DB01044"},{"ID":"DB01155"},{"ID":"DB00365"},{"ID":"DB00710"},{"ID":"DB00224"},{"ID":"DB01137"},{"ID":"DB00978"},{"ID":"DB00931"},{"ID":"DB01017"},{"ID":"DB00218"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB00595"},{"ID":"DB00487"},{"ID":"DB01344"},{"ID":"DB00908"},{"ID":"DB01346"},{"ID":"DB00884"},{"ID":"DB01098"},{"ID":"DB01405"},{"ID":"DB00759"},{"ID":"DB00685"}],"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB01380","Name":"Cortisone acetate","DrugType":"small molecule","HalfLife":"","Description":"Cortisone acetate is a steroid hormone that has both glucocoriticoid and mineral corticoid activities. Corticosteroids are used to provide relief for inflamed areas of the body. They lessen swelling, redness, itching, and allergic reactions. They are often used as part of the treatment for a number of different diseases, such as severe allergies or skin problems, asthma, or arthritis. Endogenous glucocorticoids and some synthetic corticoids have high affinity to the protein transcortin (also called CBG, corticosteroid-binding protein), whereas all of them bind albumin. Glucocorticoids also bind to the cytosolic glucocorticoid receptor.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. Also used to treat endocrine (hormonal) disorders (adrenal insufficiency, Addisons disease). It is also used to treat many immune and allergic disorders.","Toxicity":"Side effects include inhibition of bone formation, suppression of calcium absorption, delayed wound healing and hyperglycemia.","MechanismOfAction":"Cortisone acetate binds to the cytosolic glucocorticoid receptor. After binding the receptor the newly formed receptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Specifically glucocorticoids induce lipocortin-1 (annexin-1) synthesis, which then binds to cell membranes preventing the phospholipase A2 from coming into contact with its substrate arachidonic acid. This leads to diminished eicosanoid production. The cyclooxygenase (both COX-1 and COX-2) expression is also suppressed, potentiating the effect. In other words, the two main products in inflammation Prostaglandins and Leukotrienes are inhibited by the action of Glucocorticoids. Glucocorticoids also stimulate the lipocortin-1 escaping to the extracellular space, where it binds to the leukocyte membrane receptors and inhibits various inflammatory events: epithelial adhesion, emigration, chemotaxis, phagocytosis, respiratory burst and the release of various inflammatory mediators (lysosomal enzymes, cytokines, tissue plasminogen activator, chemokines etc.) from neutrophils, macrophages and mastocytes. Additionally the immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding.","Pharmacodynamics":"As a glucocorticoid agent, cortisone acetate changes genetic transcription levels causing varied metabolic effects and a modified immune response to varied stimuli. lucocorticoids suppress cell-mediated immunity. They act by inhibiting genes that code for the cytokines IL-1, IL-2, IL-3, IL-4, IL-5, IL-6, IL-8 and TNF-alpha, the most important of which is the IL-2. Reduced cytokine production limits T cell proliferation. Glucocorticoids also suppress humoral immunity, causing B cells to express lower amounts of IL-2 and IL-2 receptors. This diminishes both B cell clonal expansion and antibody synthesis. The diminished amounts of IL-2 also leads to fewer T lymphocyte cells being activated.","Absorption":"","Interactions":[{"ID":"DB00945"},{"ID":"DB06223"},{"ID":"DB01320"},{"ID":"DB00211"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB01045"},{"ID":"DB00382"},{"ID":"DB00072"},{"ID":"DB01339"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01381","Name":"Ginkgo biloba","DrugType":"small molecule","HalfLife":"","Description":"The extract of the Ginkgo leaves contains flavonoid glycosides and terpenoids (ginkgolides, bilobalides) and has been used pharmaceutically for hundreds of years. It has many alleged nootropic properties, and is mainly used as memory and concentration enhancer, and anti-vertigo agent. Ginkgo extract seems to have three effects on the human body: it improves blood flow (including microcirculation in small capillaries) to most tissues and organs; it protects against oxidative cell damage from free radicals; and it blocks many of the effects of PAF (platelet aggregation, blood clotting) that have been related to the development of a number of cardiovascular, renal, respiratory and CNS (Central Nervous System) disorders.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Appears to be effective in: alleviating age-related memory impairment in some elderly people with mild to moderate age-related memory or cognitive impairment; improving cognitive function in healthy young to middle-aged people; improving symptoms of Alzheimer's, vascular or mixed dementia; improving damage to the visual field in patients with normal tension glaucoma; decreasing the number of painful attacks in patients with Raynaud's syndrome; and may improve symptoms of vertigo and dizziness in some patients. ","Toxicity":"Fresh seeds are toxic may cause death. Roasted seed and crude ginkgo plant should not be used orally. Consumption of greater than 10 roasted seeds may cause difficulty breathing, weak pulse, seizures, loss of consciousness, and shock. Standardized ginkgo leaf extracts have been used safely in trials lasting several weeks to six years; however, cases of spontaneous hemorrhages have been reported with the conventional use of the standardized extract. As with all medications, individual risk factors must be considered in the assessment of safety of this medication. \r\nThis medication is well-tolerated at standard oral doses. Ginkgo biloba may cause gastrointestinal upset, headache, dizziness, palpitations, nausea, vomiting, lack of muscle tone and weakness.\r\n ","MechanismOfAction":"The compounds found in ginkgo may have a protective\r\nrole in different stages of the decline of intellectual function via several mechanisms of action: vasoregulating activity of arteries, capillaries, and veins (increased blood flow); platelet activating factor (PAF) antagonism; homeostasis of inflammation and oxidative stress; and prevention of cell membrane damage causedby free radicals; and neurotransmission modulation.\r\nThe most important substances are flavonoids (ginkgo flavone glycosides) and terpenoids (ginkgolides and\r\nbilobalide).The compounds inginkgo act to varying degrees as scavengers for free radicals.","Pharmacodynamics":"The mechanism by which ginkgo biloba is thought to be effective for these conditions appears to be in part through active \"ginkgolides\" terpenoids and flavinoids that appear to inhibit platelet aggregation, neutrophil degranulation, and the induction of oxygen-free radical production","Absorption":"","Interactions":[{"ID":"DB00054"},{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB00009"},{"ID":"DB00261"},{"ID":"DB00278"},{"ID":"DB00006"},{"ID":"DB01166"},{"ID":"DB00215"},{"ID":"DB00758"},{"ID":"DB06695"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB00975"},{"ID":"DB01225"},{"ID":"DB00063"},{"ID":"DB01175"},{"ID":"DB00749"},{"ID":"DB00573"},{"ID":"DB00472"},{"ID":"DB00712"},{"ID":"DB00176"},{"ID":"DB00569"},{"ID":"DB01404"},{"ID":"DB01109"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB00001"},{"ID":"DB00939"},{"ID":"DB00814"},{"ID":"DB00461"},{"ID":"DB00788"},{"ID":"DB00991"},{"ID":"DB00715"},{"ID":"DB00554"},{"ID":"DB06209"},{"ID":"DB00015"},{"ID":"DB06228"},{"ID":"DB00118"},{"ID":"DB01104"},{"ID":"DB00605"},{"ID":"DB00382"},{"ID":"DB00031"},{"ID":"DB01600"},{"ID":"DB00208"},{"ID":"DB00775"},{"ID":"DB00500"},{"ID":"DB00656"},{"ID":"DB00013"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB01382","Name":"Glycodiazine","DrugType":"small molecule","HalfLife":"4 hours.","Description":"Glycodiazine is used with diet to lower blood glucose by increasing the secretion of insulin from pancreas and increasing the sensitivity of peripheral tissues to insulin. The mechanism of action of glycodiazine in lowering blood glucose appears to be dependent on stimulating the release of insulin from functioning pancreatic beta cells, and increasing sensitivity of peripheral tissues to insulin. Glycodiazine likely binds to ATP-sensitive potassium channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Membrane depolarization stimulates calcium ion influx through voltage-sensitive calcium channels. This increase in intracellular calcium ion concentration induces the secretion of insulin. It is used for the concomitant use with insulin for the treatment of noninsulin-dependent (type 2) diabetes mellitus.","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Glycodiazine is used concomitantly with insulin for the treatment of noninsulin-dependent (type 2) diabetes mellitus. ","Toxicity":"Severe hypoglycemic reactions with coma, seizure, or other neurological impairment.","MechanismOfAction":"The mechanism of action of glycodiazine in lowering blood glucose appears to be dependent on stimulating the release of insulin from functioning pancreatic beta cells, and increasing sensitivity of peripheral tissues to insulin. Glycodiazine likely binds to ATP-sensitive potassium channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Membrane depolarization stimulates calcium ion influx through voltage-sensitive calcium channels. The rise in intracellular calcium leads to increased fusion of insulin granulae with the cell membrane, and therefore increased secretion of (pro)insulin.","Pharmacodynamics":"Glycodiazine is used with diet to lower blood glucose by increasing the secretion of insulin from pancreas and increasing the sensitivity of peripheral tissues to insulin.","Absorption":"Rapidly and completely absorbed following oral administration.","Interactions":[{"ID":"DB00945"},{"ID":"DB00335"},{"ID":"DB00612"},{"ID":"DB01136"},{"ID":"DB00446"},{"ID":"DB00636"},{"ID":"DB00187"},{"ID":"DB00598"},{"ID":"DB00264"},{"ID":"DB01203"},{"ID":"DB01580"},{"ID":"DB00812"},{"ID":"DB00960"},{"ID":"DB00571"},{"ID":"DB01045"},{"ID":"DB00373"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01384","Name":"Paramethasone","DrugType":"small molecule","HalfLife":"","Description":"A glucocorticoid with the general properties of corticosteroids. It has been used by mouth in the treatment of all conditions in which corticosteroid therapy is indicated except adrenal-deficiency states for which its lack of sodium-retaining properties makes it less suitable than hydrocortisone with supplementary fludrocortisone. (From Martindale, The Extra Pharmacopoeia, 30th ed, p737)","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the treatment of all conditions in which corticosteroid therapy is indicated except adrenal-deficiency states for which its lack of sodium-retaining properties makes it less suitable than hydrocortisone with supplementary fludrocortisone.","Toxicity":"Side effects include inhibition of bone formation, suppression of calcium absorption delayed wound healing, immune suppression, and hyperglycemia.","MechanismOfAction":"Glucocorticoids such as paramethasone can inhibit leukocyte infiltration at the site of inflammation, interfere with mediators of inflammatory response, and suppress humoral immune responses. The antiinflammatory actions of glucocorticoids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Paramethasone reduces inflammatory reaction by limiting the capillary dilatation and permeability of the vascular structures. These compounds restrict the accumulation of polymorphonuclear leukocytes and macrophages and reduce the release of vasoactive kinins. Recent research suggests that corticosteroids may inhibit the release of arachidonic acid from phospholipids, thereby reducing the formation of prostaglandins. Prednisolone is a glucocorticoid receptor agonist. On binding, the corticoreceptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing an increase or decrease in expression of specific target genes, including suppression of IL2 (interleukin 2) expression.","Pharmacodynamics":"Paramethasone is a glucocorticoid with the general properties of corticosteroids. Glucocorticoids are a class of steroid hormones characterised by an ability to bind with the cortisol receptor and trigger a variety of important cardiovascular, metabolic, immunologic and homeostatic effects. Glucocorticoids are distinguished from mineralocorticoids and sex steroids by having different receptors, target cells, and effects. Technically, the term corticosteroid refers to both glucocorticoids and mineralocorticoids, but is often used as a synonym for glucocorticoid. Glucocorticoids suppress cell-mediated immunity. They act by inhibiting genes that code for the cytokines IL-1, IL-2, IL-3, IL-4, IL-5, IL-6, IL-8 and TNF-alpha, the most important of which is the IL-2. Reduced cytokine production limits T cell proliferation. Glucocorticoids also suppress humoral immunity, causing B cells to express lower amounts of IL-2 and IL-2 receptors. This diminishes both B cell clonal expansion and antibody synthesis. The diminished amounts of IL-2 also leads to fewer T lymphocyte cells being activated.","Absorption":"","Interactions":[{"ID":"DB00945"},{"ID":"DB01320"},{"ID":"DB00211"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00545"},{"ID":"DB01045"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01388","Name":"Mibefradil","DrugType":"small molecule","HalfLife":"17 to 25 hours at steady state.","Description":"Mibefradil was withdrawn from the market in 1998 because of potentially harmful interactions with other drugs.","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"For the treatment of angina and high blood pressure.","Toxicity":"","MechanismOfAction":"Mibefradil is a tetralol calcium channel blocking agent that inhibits the influx of calcium ions across both the T (low-voltage) and L (high-voltage) calcium channels of cardiac and vascular smooth muscle, with a greater selectivity for T channels. Vasodilation occurs in vascular smooth muscle, causing a decrease in peripheral vascular resistance and a resulting decrease in blood pressure. Mibefradil causes a slight increase in cardiac output during chronic dosing. Mibefradil slows sinus and atrioventricular (AV) node conduction, producing a slight reduction in heart rate and a slight increase in the PR interval. It has also been shown to slightly lengthen the corrected sinus node recovery time and AH interval and to raise the Wenckebach point. The mechanism by which mibefradil reduces angina is not known, but is thought to be attributed to a reduction in heart rate, total peripheral resistance (afterload), and the heart rate\u0026ndash;systolic blood pressure product at any given level of exercise. The result of these effects is a decrease in cardiac workload and myocardial oxygen demand.","Pharmacodynamics":"Mibefradil belongs to a group of medicines called calcium channel blocking agents, or, more commonly, calcium channel blockers. Calcium channel blocking agents affect the movement of calcium into the cells of the heart and blood vessels. As a result, they relax blood vessels and increase the supply of blood and oxygen to the heart while reducing its workload. Mibefradil is a benzimidazoyl-substituted tetraline that selectively binds and inhibits T-type calcium channels.","Absorption":"Bioavailability after a single dose is 70%. After multiple dosing, the proportion of mibefradil undergoing first-pass metabolism is reduced, resulting in a steady state bioavailability of approximately 90%. Food does not affect the rate or extent of absorption of mibefradil.","Interactions":[{"ID":"DB00637"},{"ID":"DB00289"},{"ID":"DB00604"},{"ID":"DB00864"},{"ID":"DB00342"}],"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB01390","Name":"Sodium bicarbonate","DrugType":"small molecule","HalfLife":"","Description":"Sodium bicarbonate is a white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.","Classification":{"Description":"This compound belongs to the organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.","DirectParent":"Organic Carbonic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Carbonic Acids and Derivatives","SubClass":""},"Indication":"Sodium bicarbonate is used for the treatment of metabolic acidosis which may occur in severe renal disease, uncontrolled diabetes, circulatory insufficiency due to shock or severe dehydration, extracorporeal circulation of blood, cardiac arrest and severe primary lactic acidosis. Also is indicated in severe diarrhea which is often accompanied by a significant loss of bicarbonate. Further indicated in the treatment of certain drug intoxications, including barbiturates (where dissociation of the barbiturateprotein complex is desired), in poisoning by salicylates or methyl alcohol and in hemolytic reactions requiring alkalinization of the urine to diminish nephrotoxicity of blood pigments.","Toxicity":"","MechanismOfAction":"Sodium bicarbonate is a systemic alkalizer, which increases plasma bicarbonate, buffers excess hydrogen ion concentration, and raises blood pH, thereby reversing the clinical manifestations of acidosis. It is also a urinary alkalizer, increasing the excretion of free bicarbonate ions in the urine, thus effectively raising the urinary pH. By maintaining an alkaline urine, the actual dissolution of uric acid stones may be accomplished. Sodium bicarbonate acts as an antacid and reacts chemically to neutralize or buffer existing quantities of stomach acid but has no direct effect on its output. This action results in increased pH value of stomach contents, thus providing relief of hyperacidity symptoms. [PharmGKB]","Pharmacodynamics":"Intravenous sodium bicarbonate therapy increases plasma bicarbonate, buffers excess hydrogen ion concentration, raises blood pH and reverses the clinical manifestations of acidosis.","Absorption":"","Interactions":[{"ID":"DB01072"},{"ID":"DB00865"},{"ID":"DB08826"},{"ID":"DB06210"},{"ID":"DB01356"},{"ID":"DB01043"},{"ID":"DB06146"},{"ID":"DB00908"},{"ID":"DB00208"},{"ID":"DB00932"},{"ID":"DB00519"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01392","Name":"Yohimbine","DrugType":"small molecule","HalfLife":"Elimination half-life is approximately 36 minutes.","Description":"A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of impotence. It is also alleged to be an aphrodisiac. [PubChem]","Classification":{"Description":"This compound belongs to the yohimbine alkaloids. These are compounds containing the pentacyclic yohimban skeleton.","DirectParent":"Yohimbine Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Yohimbine Alkaloids","SubClass":""},"Indication":"Indicated as a sympatholytic and mydriatic. Impotence has been successfully treated with yohimbine in male patients with vascular or diabetic origins and psychogenic origins.","Toxicity":"","MechanismOfAction":"Yohimbine is a pre-synaptic alpha 2-adrenergic blocking agent. The exact mechanism for its use in impotence has not been fully elucidated. However, yohimbine may exert its beneficial effect on erectile ability through blockade of central alpha 2-adrenergic receptors producing an increase in sympathetic drive secondary to an increase in norepinephrine release and in firing rate of cells in the brain noradrenergic nuclei. Yohimbine-mediated norepinephrine release at the level of the corporeal tissues may also be involved. In addition, beneficial effects may involve other neurotransmitters such as dopamine and serotonin and cholinergic receptors.","Pharmacodynamics":"Yohimbine is an indolalkylamine alkaloid with chemical similarity to reserpine. Yohimbine blocks presynaptic alpha-2 adrenergic receptors. Its action on peripheral blood vessels resembles that of reserpine, though it is weaker and of short duration. Yohimbine's peripheral autonomic nervous system effect is to increase parasympathetic (cholinergic) and decrease sympathetic (adrenergic) activity. It is to be noted that in male sexual performance, erection is linked to cholinergic activity and to alpha-2 adrenergic blockade which may theoretically result in increased penile inflow, decreased penile outflow or both. Yohimbine exerts a stimulating action on the mood and may increase anxiety. Such actions have not been adequately studied or related to dosage although they appear to require high doses of the drug. Yohimbine has a mild anti-diuretic action, probably via stimulation of hypothalmic center and release of posterior pituitary hormone. Reportedly Yohimbine exerts no significant influence on cardiac stimulation and other effects mediated by (beta)-adrenergic receptors. Its effect on blood pressure, if any, would be to lower it; however, no adequate studies are at hand to quantitate this effect in terms of Yohimbine dosage.","Absorption":"Rapidly absorbed following oral administration. Bioavailability is highly variable, ranging from 7 to 87% (mean 33%).","Interactions":[{"ID":"DB09026"},{"ID":"DB06216"},{"ID":"DB00289"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01393","Name":"Bezafibrate","DrugType":"small molecule","HalfLife":"1-2 hours","Description":"Antilipemic agent that lowers cholesterol and triglycerides. It decreases low density lipoproteins and increases high density lipoproteins. [PubChem]","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"For the treatment of primary hyperlipidaemia types IIa, IIb, III, IV and V (Fredrickson classification) corresponding to groups I, II and III of the European Atherosclerosis Society guidelines - when diet alone or improvements in lifestyle such as increased exercise or weight reduction do not lead to an adequate response. Also for the treatment of secondary hyperlipidaemias, e.g. severe hypertriglyceridemias, when sufficient improvement does not occur after correction of the underlying disorder (e.g. diabetes mellitus).","Toxicity":"","MechanismOfAction":"Like the other fibrates, bezafibrate is an agonist of PPAR\u0026alpha;; some studies suggest it may have some activity on PPAR\u0026gamma; and PPAR\u0026delta; as well.","Pharmacodynamics":"Bezafibrate is an antilipemic agent that lowers cholesterol and triglycerides. It decreases low density lipoproteins and increases high density lipoproteins. Bezafibrate lowers elevated blood lipids (triglycerides and cholesterol). Elevated VLDL and LDL are reduced by treatment with bezafibrate, whilst HDL-levels are increased. The activity of triglyceride lipases (lipoprotein lipase and hepatic lipoproteinlipase) involved in the catabolism of triglyceride-rich lipoproteins is increased by bezafibrate. In the course of the intensified degradation of triglyceride-rich lipoproteins (chylomicrons, VLDL) precursors for the formation of HDL are formed which explains an increase in HDL. Furthermore, cholesterol biosynthesis is reduced by bezafibrate, which is accompanied by a stimulation of the LDL-receptor-mediated lipoprotein catabolism. Elevated fibrinogen appears to be an important risk-factor, alongside the lipids, smoking and hypertension, in the development of atheroma. Fibrinogen plays an important role in viscosity, and therefore blood flow, and also appears to play an important role in thrombus development and lysability. Bezafibrate exerts an effect on thrombogenic factors. A significant decrease in elevated plasma fibrinogen levels can be achieved. This may lead, amongst other things, to a reduction in both blood and plasma viscosity. Inhibition of platelet aggregation has also been observed. A reduction in blood glucose concentration due to an increase in glucose tolerance has been reported in diabetic patients. In the same patients, the concentration of fasting and postprandial free fatty acids was reduced by bezafibrate.","Absorption":"Bezafibrate is almost completely absorbed after oral administration. The relative bioavailability of bezafibrate retard compared to the standard form is about 70%.","Interactions":[{"ID":"DB01076"},{"ID":"DB00439"},{"ID":"DB01432"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB01095"},{"ID":"DB01247"},{"ID":"DB00601"},{"ID":"DB00227"},{"ID":"DB01171"},{"ID":"DB00780"},{"ID":"DB00175"},{"ID":"DB01168"},{"ID":"DB01367"},{"ID":"DB01037"},{"ID":"DB00752"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01394","Name":"Colchicine","DrugType":"small molecule","HalfLife":"Elimination half-life is approximately 1 hour in healthy subjects, although a study with an extended sampling time reported mean terminal elimination half-life values of approximately 9 to 10.5 hours. Other studies have reported half-life values of approximately 2 hours in patients with alcoholic cirrhosis and approximately 2.5 hours in patients with familial Mediterranean fever.","Description":"A major alkaloid from Colchicum autumnale L. and found also in other Colchicum species. Its primary therapeutic use is in the treatment of gout, but it has been used also in the therapy of familial Mediterranean fever (periodic disease). [PubChem]","Classification":{"Description":"This compound belongs to the colchicinoids. These are compounds containing the benzo[a]heptalene based colchicin moiety or a derivative thereof.","DirectParent":"Colchicinoids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Colchicinoids","SubClass":""},"Indication":"For treatment and relief of pain in attacks of acute gouty arthritis.","Toxicity":"The onset of toxic effects is usually delayed for several hours or more after the ingestion of an acute overdose. Nausea, vomiting, abdominal pain, and diarrhea occur first. The diarrhea may be bloody due to hemorrhagic gastroenteritis. Burning sensations of the throat, stomach, and skin may be prominent symptoms. Extensive vascular damage may result in shock. Kidney damage, evidenced by hematuria and oliguria, may occur. Muscular weakness may be marked, and ascending paralysis of the central nervous system may develop; the patient usually remains conscious. Delirium and convulsions may occur. Death due to respiratory arrest may result. Although death from the ingestion of as little as 7 mg has been reported, much larger doses have been survived .","MechanismOfAction":"The precise mechanism of action has not been completely established. In patients with gout, colchicine apparently interrupts the cycle of monosodium urate crystal deposition in joint tissues and the resultant inflammatory response that initiates and sustains an acute attack. Colchicine decreases leukocyte chemotaxis and phagocytosis and inhibits the formation and release of a chemotactic glycoprotein that is produced during phagocytosis of urate crystals. Colchicine also inhibits urate crystal deposition, which is enhanced by a low pH in the tissues, probably by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. Colchicine has no analgesic or antihyperuricemic activity. Colchicine inhibits microtubule assembly in various cells, including leukocytes, probably by binding to and interfering with polymerization of the microtubule subunit tubulin. Although some studies have found that this action probably does not contribute significantly to colchicine's antigout action, a recent in vitro study has shown that it may be at least partially involved.","Pharmacodynamics":"Colchicine is a highly poisonous alkaloid, originally extracted from plants of the genus Colchicum (Autumn crocus, also known as the \"Meadow saffron\"). Originally used to treat rheumatic complaints and especially gout, it was also prescribed for its cathartic and emetic effects. Its present medicinal use is mainly in the treatment of gout; as well, it is being investigated for its potential use as an anti-cancer drug. It can also be used as initial treatment for pericarditis and preventing recurrences of the condition.","Absorption":"Colchicine is rapidly absorbed after oral administration, probably from the jejunum and ileum. However, the rate and extent of absorption are variable, depending on the tablet dissolution rate; variability in gastric emptying, intestinal motility, and pH at the absorption site; and the extent to which colchicine is bound to microtubules in gastrointestinal mucosal cells.","Interactions":[{"ID":"DB01076"},{"ID":"DB01128"},{"ID":"DB00439"},{"ID":"DB01211"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB00199"},{"ID":"DB01095"},{"ID":"DB00227"},{"ID":"DB08860"},{"ID":"DB00175"},{"ID":"DB01098"},{"ID":"DB00641"},{"ID":"DB00976"},{"ID":"DB01361"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01395","Name":"Drospirenone","DrugType":"small molecule","HalfLife":"30 hours","Description":"Drospirenone is a synthetic progestin that is an analog to spironolactone. It is found in a number of birth control formulations. Drospirenone differs from other synthetic progestins in that its pharmacological profile in preclinical studies shows it to be closer to the natural progesterone. As such it has anti-mineralocorticoid properties, counteracts the estrogen-stimulated activity of the renin-angiotensin-aldosterone system, and is not androgenic. It was shown in animal studies that drospirenone exhibits antiandrogenic activity judging from accessory sex gland growth in castrated, androgen-treated, juvenile rats. ","Classification":{"Description":"This compound belongs to the steroid lactones. These are sterol lipids containing a lactone moiety linked to the steroid skeleton.","DirectParent":"Steroid Lactones","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Lactones"},"Indication":"For the prevention of pregnancy in women who elect an oral contraceptive.","Toxicity":"","MechanismOfAction":"Progestins such as drospirenone diffuse freely into target cells in the female reproductive tract, mammary gland, hypothalamus, and the pituitary and bind to the progesterone receptor. Once bound to the receptor, progestins slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH surge.","Pharmacodynamics":"Drospirenone differs from other synthetic progestins in that its pharmacological profile in preclinical studies shows it to be closer to the natural progesterone. As such it has anti-mineralocorticoid properties, counteracts the estrogen-stimulated activity of the renin-angiotensin-aldosterone system, and is not androgenic.","Absorption":"Oral bioavailability is approximately 76%.","Interactions":[{"ID":"DB06697"},{"ID":"DB00542"},{"ID":"DB00307"},{"ID":"DB08873"},{"ID":"DB00796"},{"ID":"DB01197"},{"ID":"DB01340"},{"ID":"DB00930"},{"ID":"DB00584"},{"ID":"DB00876"},{"ID":"DB00492"},{"ID":"DB01109"},{"ID":"DB01029"},{"ID":"DB00722"},{"ID":"DB00678"},{"ID":"DB00275"},{"ID":"DB00790"},{"ID":"DB01345"},{"ID":"DB00881"},{"ID":"DB00178"},{"ID":"DB00966"},{"ID":"DB00599"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00755"},{"ID":"DB00384"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01396","Name":"Digitoxin","DrugType":"small molecule","HalfLife":"","Description":"A cardiac glycoside sometimes used in place of digoxin. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665)","Classification":{"Description":"This compound belongs to the cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.","DirectParent":"Cardenolide Glycosides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Lactones"},"Indication":"For the treatment and management of congestive cardiac insufficiency, arrhythmias and heart failure.","Toxicity":"Digitoxin exhibits similar toxic effects to the more-commonly used digoxin, namely: anorexia, nausea, vomiting, diarrhoea, confusion, visual disturbances, and cardiac arrhythmias.","MechanismOfAction":"Digitoxin inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Digitoxin also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential.","Pharmacodynamics":"Digitoxin is a cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting (From Martindale, The Extra Pharmacopoeia, 30th ed, p665). Unlike digoxin (which is eliminated from the body via the kidneys), it is eliminated via the liver, so could be used in patients with poor or erratic kidney function. However, it is now rarely used in current UK medical practice. While there have been several controlled trials which have shown digoxin to be effective in a proportion of patients treated for heart failure, there is not the same strong evidence base for digitoxin, although it is presumed to be similarly effective.","Absorption":"","Interactions":[{"ID":"DB00436"},{"ID":"DB00887"},{"ID":"DB00310"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB00999"},{"ID":"DB00808"},{"ID":"DB00524"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00976"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01397","Name":"Magnesium salicylate","DrugType":"small molecule","HalfLife":"","Description":"Magnesium salicylate is a common analgesic and non-steroidal anti-inflammatory drug (NSAID) used to treat mild to moderate muscular pain. It is also used to treat headaches, general back pain, and certain joint pains like arthritis.\r\n\r\nIt is found in a variety of over-the-counter (OTC) medications as an anti-inflammatory, primarily for back-pain relief. Magnesium Salicylate can be an effective OTC alternative to prescription NSAIDs, with both anti-inflamatory and pain-relieving effects.\r\n\r\nThough the recommended doseage is 1160 mg every six hours, per package directions of the Doan's OTC brand (580 mg magnesium salicylate tetrahydrate, equivalent to 934.4 mg anhydrous magnesium salicylate), effective pain relief is often found with a half dosage, with reduced anti-inflammatory results.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Magnesium salicylate is a common analgesic and non-steroidal anti-inflammatory drug (NSAID) used to treat mild to moderate muscular pain","Toxicity":"","MechanismOfAction":"Most NSAIDs act as nonselective inhibitors of the enzyme cyclooxygenase (COX), inhibiting both the cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) isoenzymes. COX catalyzes the formation of prostaglandins and thromboxane from arachidonic acid (itself derived from the cellular phospholipid bilayer by phospholipase A2). Prostaglandins act (among other things) as messenger molecules in the process of inflammation.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00443"},{"ID":"DB01234"},{"ID":"DB00687"},{"ID":"DB01044"},{"ID":"DB01155"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB00741"},{"ID":"DB00703"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01032"},{"ID":"DB00908"},{"ID":"DB00759"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00698","Drugs":["DB00142","DB00143","DB01373","DB01397","DB01593","DB04557"]}]},{"ID":"DB01398","Name":"Salicylate-sodium","DrugType":"small molecule","HalfLife":"","Description":"Sodium salicylate is a sodium salt of salicylic acid. It can be prepared from sodium phenolate and carbon dioxide under higher temperature and pressure.\r\n\r\nIt is used in medicine as an analgesic and antipyretic. Sodium salicylate also acts as non-steroidal anti-inflammatory drug (NSAID) and induces apoptosis in cancer cells. It is also potential replacement for aspirin for people sensitive to it.","Classification":{"Description":"This compound belongs to the salicylic acids. These are ortho-hydroxylated benzoic acids.","DirectParent":"Salicylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"It is used in medicine as an analgesic and antipyretic. Sodium salicylate also acts as non-steroidal anti-inflammatory drug (NSAID)","Toxicity":"","MechanismOfAction":"Salicylate-sodium is considered a non-selective COX inhibitor—that is, it inhibits two isoforms of cyclooxygenase, COX-1 and COX-2. The analgesic, antipyretic, and anti-inflammatory activity of NSAIDs appears to be achieved mainly through inhibition of COX-2, whereas inhibition of COX-1 would be responsible for unwanted effects on platelet aggregation and the gastrointestinal tract. However, the role of the individual COX isoforms in the analgesic, anti-inflammatory, and gastric damage effects of NSAIDs is uncertain and different compounds cause different degrees of analgesia and gastric damage.\r\nSalicylate-sodium directly and irreversibly inhibits the activity of both types of cyclo-oxygenases (COX-1 and COX-2) to decrease the formation of precursors of prostaglandins and thromboxanes from arachidonic acid. Salicylate may competitively inhibit prostaglandin formation. Salicylate's antirheumatic (nonsteroidal anti-inflammatory) actions are a result of its analgesic and anti-inflammatory mechanisms.","Pharmacodynamics":"Non-steroidal anti-inflammatory drugs such as Salicylate-sodium work by inhibiting the enzyme cyclooxygenase (COX), which converts arachidonic acid to prostaglandin H2 (PGH2). PGH2, in turn, is converted by other enzymes to several other prostaglandins (which are mediators of pain, inflammation, and fever)","Absorption":"","Interactions":[{"ID":"DB00443"},{"ID":"DB00687"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB00741"},{"ID":"DB00703"},{"ID":"DB00563"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01032"},{"ID":"DB00605"},{"ID":"DB00620"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00708","Drugs":["DB00142","DB00143","DB01373","DB01398","DB01593","DB04557"]}]},{"ID":"DB01399","Name":"Salsalate","DrugType":"small molecule","HalfLife":"The parent compound has an elimination half-life of about 1 hour. Salicylic acid (the active metabolite) biotransformation is saturated at anti-inflammatory doses of salsalate. Such capacity limited biotransformation results in an increase in the half-life of salicylic acid from 3.5 to 16 or more hours.","Description":"Salsalate is a nonsteroidal anti-inflammatory agent for oral administration. Salsalate's mode of action as an anti-inflammatory and antirheumatic agent may be due to inhibition of synthesis and release of prostaglandins. The usefulness of salicylic acid, the active in vivo product of salsalate, in the treatment of arthritic disorders has been established. In contrast to aspirin, salsalate causes no greater fecal gastrointestinal blood loss than placebo. Salsalate is readily soluble in the small intestine where it is partially hydrolyzed to two molecules of salicylic acid. A significant portion of the parent compound is absorbed unchanged and undergoes rapid esterase hydrolysis in the body. The parent compound has an elimination half-life of about 1 hour. Salicylic acid (the active metabolite) biotransformation is saturated at anti-inflammatory doses of salsalate. Such capacity limited biotransformation results in an increase in the half-life of salicylic acid from 3.5 to 16 or more hours.","Classification":{"Description":"This compound belongs to the depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound contaning the depsidone structure (depsidone).","DirectParent":"Depsides and Depsidones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Depsides and Depsidones","SubClass":""},"Indication":"For relief of the signs and symptoms of rheumatoid arthritis, osteoarthritis and related rheumatic disorders.","Toxicity":"Death has followed ingestion of 10 to 30 g of salicylates in adults, but much larger amounts have been ingested without fatal outcome.","MechanismOfAction":"The mode of anti-inflammatory action of salsalate and other nonsteroidal anti-inflammatory drugs is not fully defined, but appears to be primarily associated with inhibition of prostaglandin synthesis. This inhibition of prostaglandin synthesis is done through the inactivation of cyclooxygenase-1 (COX-1) and COX-2, which are reponsible for catalyzing the formation of prostaglandins in the arachidonic acid pathway. Although salicylic acid (the primary metabolite of salsalate) is a weak inhibitor of prostaglandin synthesis in vitro, salsalate appears to selectively inhibit prostaglandin synthesis in vivo, providing anti-inflammatory activity equivalent to aspirin and indomethacin. Unlike aspirin, salsalate does not inhibit platelet aggregation.","Pharmacodynamics":"Salsalate is a nonsteroidal anti-inflammatory agent for oral administration. Salsalate's mode of action as an anti-inflammatory and antirheumatic agent may be due to inhibition of synthesis and release of prostaglandins. The usefulness of salicylic acid, the active in vivo product of salsalate, in the treatment of arthritic disorders has been established. In contrast to aspirin, salsalate causes no greater fecal gastrointestinal blood loss than placebo.","Absorption":"Salsalate is insoluble in acid gastric fluids (\u003c 0.1 mg/ml at pH 1.0), but readily soluble in the small intestine where it is partially hydrolyzed to two molecules of salicylic acid. A significant portion of the parent compound is absorbed unchanged. The amount of salicylic acid available from salsalate is about 15% less than from aspirin, when the two drugs are administered on a salicylic acid molar equivalent basis (3.6 g salsalate/5 g aspirin). Food slows the absorption of all salicylates including salsalate.","Interactions":[{"ID":"DB00443"},{"ID":"DB00672"},{"ID":"DB01234"},{"ID":"DB00687"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB00741"},{"ID":"DB00703"},{"ID":"DB00563"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01032"},{"ID":"DB00605"},{"ID":"DB01600"},{"ID":"DB00500"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00620"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00707","Drugs":["DB00142","DB00143","DB01373","DB01399","DB01593","DB04557"]}]},{"ID":"DB01400","Name":"Neostigmine","DrugType":"small molecule","HalfLife":"The half-life ranged from 42 to 60 minutes with a mean half-life of 52 minutes.","Description":"A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike physostigmine, does not cross the blood-brain barrier. [PubChem]","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Neostigmine is used for the symptomatic treatment of myasthenia gravis by improving muscle tone.","Toxicity":"Overdosage of Neostigmine can cause cholinergic crisis, which is characterized by increasing muscle weakness, and through involvement of the muscles of respiration, may result in death. The LD 50 of neostigmine methylsulfate in mice is 0.3 \u0026plusmn; 0.02 mg/kg intravenously, 0.54 \u0026plusmn; 0.03 mg/kg subcutaneously, and 0.395 \u0026plusmn; 0.025 mg/kg intramuscularly; in rats the LD 50 is 0.315 \u0026plusmn; 0.019 mg/kg intravenously, 0.445 \u0026plusmn; 0.032 mg/kg subcutaneously, and 0.423 \u0026plusmn; 0.032 mg/kg intramuscularly.","MechanismOfAction":"Neostigmine is a parasympathomimetic, specifically, a reversible cholinesterase inhibitor. The drug inhibits acetylcholinesterase which is responsible for the degredation of acetylcholine. So, with acetylcholinesterase inhibited, more acetylcholine is present By interfering with the breakdown of acetylcholine, neostigmine indirectly stimulates both nicotinic and muscarinic receptors which are involved in muscle contraction.. It does not cross the blood-brain barrier.","Pharmacodynamics":"Neostigmine is a cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike physostigmine, does not cross the blood-brain barrier. By inhibiting acetylcholinesterase, more acetylcholine is available in the synapse, therefore, more of it can bind to the fewer receptors present in myasthenia gravis and can better trigger muscular contraction.\r\n\r\n","Absorption":"Neostigmine bromide is poorly absorbed from the gastrointestinal tract following oral administration","Interactions":[{"ID":"DB01234"},{"ID":"DB00687"},{"ID":"DB00741"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00620"}],"Salts":[{"ID":"DBSALT000128","Name":"Neostigmine methylsulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01401","Name":"Trisalicylate-choline","DrugType":"small molecule","HalfLife":"","Description":"Choline magnesium trisalicylate is a non-acetylated salicylate used widely as a nonsteroidal anti-inflammatory drug. Trisalicylate significantly reduces methotrexate renal clearance, displacing methotrexate from protein, increasing the fraction unbound by 28%.(PMID: 1728115, 1618240)","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Choline magnesium trisalicylate is used to reduce pain and inflammation caused by conditions such as arthritis. This medication is also used to treat fever in adults.","Toxicity":"Salicylate intoxication, known as salicylism, may occur with large doses or extended therapy. Common symptoms of salicylism include headache, dizziness, tinnitus, hearing impairment, confusion, drowsiness, sweating, vomiting, diarrhea, and hyperventilation. A more severe degree of salicylate intoxication can lead to CNS disturbances, alteration in electrolyte balance, respiratory and metabolic acidosis, hyperthermia, and dehydration.","MechanismOfAction":"Inhibits prostaglandin synthesis; acts on the hypothalamus heat-regulating center to reduce fever; blocks the generation of pain impulses","Pharmacodynamics":"Trisalicylate-choline is a non-steroidal anti-inflammatory drug (NSAID) that contains a combination of choline salicylate and magnesium salicylate. Does not affect platelet aggregation.","Absorption":"","Interactions":[{"ID":"DB00443"},{"ID":"DB00672"},{"ID":"DB00687"},{"ID":"DB01120"},{"ID":"DB01016"},{"ID":"DB00741"},{"ID":"DB00703"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB01032"},{"ID":"DB00759"},{"ID":"DB00620"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00703","Drugs":["DB00142","DB00143","DB01373","DB01401","DB01593","DB04557"]}]},{"ID":"DB01403","Name":"Methotrimeprazine","DrugType":"small molecule","HalfLife":"Approximately 20 hours.","Description":"A phenothiazine with pharmacological activity similar to that of both chlorpromazine and promethazine. It has the histamine-antagonist properties of the antihistamines together with central nervous system effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604)","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the treatment of psychosis, particular those of schizophrenia, and manic phases of bipolar disorder.","Toxicity":"Symptoms of overdose include convulsions, spastic movements, and coma.","MechanismOfAction":"Methotrimeprazine's antipsychotic effect is largely due to its antagonism of dopamine receptors in the brain. In addition, its binding to 5HT2 receptors may also play a role. ","Pharmacodynamics":"Methotrimeprazine is a phenothiazine with pharmacological activity similar to that of both chlorpromazine and promethazine. It has the histamine-antagonist properties of the antihistamines together with central nervous system effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604)","Absorption":"Methotrimeprazine has an incomplete oral bioavailability, because it undergoes considerable first-pass-metabolism in the liver. Oral bioavailability is approximately 50 to 60%.","Interactions":[{"ID":"DB00182"},{"ID":"DB06697"},{"ID":"DB00865"},{"ID":"DB00484"},{"ID":"DB01558"},{"ID":"DB01200"},{"ID":"DB00395"},{"ID":"DB00604"},{"ID":"DB01219"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB00365"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB01137"},{"ID":"DB06708"},{"ID":"DB00579"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB01267"},{"ID":"DB01626"},{"ID":"DB01579"},{"ID":"DB00780"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00989"},{"ID":"DB01208"},{"ID":"DB00342"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB01080"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00962"},{"ID":"DB06283"},{"ID":"DB00246"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01404","Name":"Ginseng","DrugType":"small molecule","HalfLife":"","Description":"Ginseng is promoted as an adaptogen (a product that increases the body's resistance to stress), one which can to a certain extent be supported with reference to its anticarcinogenic and antioxidant properties. Ginseng is also known to contain phytoestrogens.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00887"},{"ID":"DB00390"},{"ID":"DB00903"},{"ID":"DB00695"},{"ID":"DB01381"},{"ID":"DB01009"},{"ID":"DB01115"},{"ID":"DB00605"},{"ID":"DB00031"},{"ID":"DB01600"},{"ID":"DB00500"},{"ID":"DB00519"},{"ID":"DB00013"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB01405","Name":"Temafloxacin","DrugType":"small molecule","HalfLife":"Approximately 8 hours in patients with normal renal function.","Description":"Temafloxacin is a fluoroquinolone antibiotic drug which was withdrawn from sale in the U.S. shortly after its approval in 1992 because of serious adverse reactions resulting in three deaths. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"For the treatment of lower respiratory tract infections, genital and urinary infections like prostatitis, and skin infections.","Toxicity":"Severe adverse reactions, including allergic reactions and hemolytic anemia, developed in about fifty patients during the first four months of its use, leading to three patient deaths","MechanismOfAction":"The bactericidal action of temafloxacin results from interference with the activity of the bacterial enzymes DNA gyrase and topoisomerase IV, which are needed for the transcription and replication of bacterial DNA. DNA gyrase appears to be the primary quinolone target for gram-negative bacteria. Topoisomerase IV appears to be the preferential target in gram-positive organisms. Interference with these two topoisomerases results in strand breakage of the bacterial chromosome, supercoiling, and resealing. As a result DNA replication and transcription is inhibited.","Pharmacodynamics":"Temafloxacin (marketed by Abbott Laboratories as Omniflox), is a fluoroquinolone antibiotic drug which was withdrawn from sale in the U.S. shortly after its approval in 1992 because of serious adverse reactions resulting in three deaths. Flouroquinolones such as lomefloxacin possess excellent activity against gram-negative aerobic bacteria such as \u003ci\u003eE.coli\u003c/i\u003e and \u003ci\u003eNeisseria gonorrhoea\u003c/i\u003e as well as gram-positive bacteria including \u003ci\u003eS. pneumoniae\u003c/i\u003e and \u003ci\u003eStaphylococcus aureus\u003c/i\u003e. They also posses effective activity against shigella, salmonella, campylobacter, gonococcal organisms, and multi drug resistant pseudomonas and enterobacter.","Absorption":"Studies in healthy volunteers indicate that the average bioavailability of temafloxacin exceeds 90%, with little intersubject variability.","Interactions":[{"ID":"DB01373"},{"ID":"DB00893"},{"ID":"DB01378"}],"Salts":[{"ID":"DBSALT000794","Name":"Temafloxacin hydrochloride"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB01406","Name":"Danazol","DrugType":"small molecule","HalfLife":"Approximately 24 hours.","Description":"A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders. [PubChem]","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"For the treatment of endometriosis and fibrocystic breast disease (in patients unresponsive to simple measures). Also used for the prophylactic treatment of all types of hereditary angioedema in males and females.","Toxicity":"","MechanismOfAction":"As a gonadotropin inhibitor, danazol suppresses the pituitary-ovarian axis possibly by inhibiting the output of pituitary gonadotropins. Danazol also depresses the preovulatory surge in output of follicle-stimulating hormone (FSH) and luteinizing hormone (LH), thereby reducing ovarian estrogen production. Danazol may also directly inhibits ovarian steroidogenesis; bind to androgen, progesterone, and glucocorticoid receptors; bind to sex-hormone-binding globulin and corticosteroid-binding globulin; and increases the metabolic clearance rate of progesterone. Another mechanism of action by which danazol may use to facilitate regression of endometriosis is by decreasing IgG, IgM, and IgA concentrations, as well as phospholipid and IgG isotope autoantibodies. In the treatment of endometriosis, as a consequence of suppression of ovarian function, danazol causes both normal and ectopic endometrial tissues to become inactive and atrophic. This leads to anovulation and associated amenorrhea. In fibrocystic breast disease, the exact mechanism of action of danazol is unknown, but may be related to suppressed estrogenic stimulation as a result of decreased ovarian production of estrogen. A direct effect on steroid receptor sites in breast tissue is also possible. This leads to a disappearance of nodularity, relief of pain and tenderness, and possibly changes in the menstrual pattern. In terms of hereditary angioedema, danazol corrects the underlying biochemical deficiency by increasing serum concentrations of the deficient C1 esterase inhibitor, resulting in increased serum concentrations of the C4 component of the complement system. (Source: PharmGKB)","Pharmacodynamics":"Danazol is a derivative of the synthetic steroid ethisterone, a modified testosterone. It was approved by the U.S. Food and Drug Administration (FDA) as the first drug to specifically treat endometriosis, but its role as a treatment for endometriosis has been largely replaced by the gonadotropin-releasing hormone (GnRH) agonists. Danazol has antigonadotropic and anti-estrogenic activities. Danazol acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00564"},{"ID":"DB00091"},{"ID":"DB00266"},{"ID":"DB01276"},{"ID":"DB01306"},{"ID":"DB00227"},{"ID":"DB00864"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01407","Name":"Clenbuterol","DrugType":"small molecule","HalfLife":"36-39 hours","Description":"A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma. [PubChem]","Classification":{"Description":"This compound belongs to the dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.","DirectParent":"Dichlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"Used as a bronchodilator in the treatment of asthma patients. ","Toxicity":"","MechanismOfAction":"Clenbuterol is a Beta(2) agonist similar in some structural respects to salbutamol. Agonism of the beta(2) receptor stimulates adenylyl cyclase activity which ultimately leads to downstream effects of smooth muscle relaxation in the bronchioles.","Pharmacodynamics":"Clenbuterol is a substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma. Although approved for use in some countries, as of fall, 2006, clenbuterol is not an ingredient of any therapeutic drug approved by the U.S. Food and Drug Administration.","Absorption":"89-98% orally","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01408","Name":"Bambuterol","DrugType":"small molecule","HalfLife":"13 hours for bambuterol and 21 hours for the primary active metabolite terbutaline.","Description":"Bambuterol is a long acting beta-adrenoceptor agonist used in the treatment of asthma. It is a prodrug of terbutaline.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the prevention and reversal of bronchospasm in patients 12 years of age and older with asthma and reversible bronchospasm associated with bronchitis and emphysema.","Toxicity":"","MechanismOfAction":"The pharmacologic effects of bambuterol are at least in part attributable to stimulation through beta-adrenergic receptors (beta 2 receptors) of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic AMP. Increased cyclic AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.","Pharmacodynamics":"Bambuterol is a long acting beta2-adrenoceptor agonist used in the treatment of asthma. It is a prodrug of terbutaline. Bambuterol causes smooth muscle relaxation, resulting in dilation of bronchial passages.","Absorption":"Bioavailability is 20% following oral administration.","Interactions":[{"ID":"DB05039"}],"Salts":[{"ID":"DBSALT000797","Name":"Bambuterol hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01409","Name":"Tiotropium","DrugType":"small molecule","HalfLife":"5-6 days","Description":"Tiotropium is a long-acting, 24 hour, anticholinergic bronchodilator used in the management of chronic obstructive pulmonary disease (COPD). Tiotropium is a muscarinic receptor antagonist, on topical application it acts mainly on M3 muscarinic receptors located in the airways to produce smooth muscle relaxation, thus producing a bronchodilatory effect.","Classification":{"Description":"This compound belongs to the tropanes. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.","DirectParent":"Tropanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tropanes","SubClass":""},"Indication":"Used in the management of chronic obstructive pulmonary disease (COPD).","Toxicity":"No mortality was observed at inhalation tiotropium doses up to 32.4 mg/kg in mice, 267.7 mg/kg in rats, and 0.6 mg/kg in dogs. These doses correspond to 7,300, 120,000, and 850 times the recommended human daily dose on a mg/m2 basis, respectively.","MechanismOfAction":"Tiotropium is a muscarinic receptor antagonist, often referred to as an antimuscarinic or anticholinergic agent. Although it does not display selectivity for specific muscarinic receptors, on topical application it acts mainly on M3 muscarinic receptors located in the airways to produce smooth muscle relaxation, thus producing a bronchodilatory effect.","Pharmacodynamics":"Tiotropium is a long–acting, antimuscarinic agent, which is often referred to as an anticholinergic. It has similar affinity to the subtypes of muscarinic receptors, M1 to M5. In the airways, it exhibits pharmacological effects through inhibition of M3–receptors at the smooth muscle leading to bronchodilation. The competitive and reversible nature of antagonism was shown with human and animal origin receptors and isolated organ preparations. In preclinical in vitro as well as in vivo studies prevention of methacholine–induced bronchoconstriction effects were dose–dependent and lasted longer than 24 hours. The bronchodilation following inhalation of tiotropium is predominantly a site–specific effect.","Absorption":"Bioavailability is 19.5% following administration by inhalation. Oral solutions of tiotropium have an absolute bioavailability of 2-3%. ","Interactions":[{"ID":"DB00761"},{"ID":"DB01278"},{"ID":"DB00021"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000348","Name":"Tiotropium bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01410","Name":"Ciclesonide","DrugType":"small molecule","HalfLife":"","Description":"Ciclesonide is a glucocorticoid used to treat obstructive airway diseases. It is marketed under the brand name Alvesco.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the treatment of nasal symptoms associated with seasonal and perennial allergic rhinitis in adults and adolescents 12 years of age and older.","Toxicity":"","MechanismOfAction":"Glucocorticoids such as ciclesonide can inhibit leukocyte infiltration at the site of inflammation, interfere with mediators of inflammatory response, and suppress humoral immune responses. The antiinflammatory actions of glucocorticoids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Ciclesonide reduces inflammatory reaction by limiting the capillary dilatation and permeability of the vascular structures. These compounds restrict the accumulation of polymorphonuclear leukocytes and macrophages and reduce the release of vasoactive kinins. Recent research suggests that corticosteroids may inhibit the release of arachidonic acid from phospholipids, thereby reducing the formation of prostaglandins. Ciclesonide is a glucocorticoid receptor agonist. On binding, the corticoreceptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing an increase or decrease in expression of specific target genes, including suppression of IL2 (interleukin 2) expression.","Pharmacodynamics":"Ciclesonide is a pro-drug that is enzymatically hydrolyzed to a pharmacologically active metabolite, C21-desisobutyryl-ciclesonide (des-ciclesonide or RM1) following intranasal application. Des-ciclesonide has anti-inflammatory activity with affinity for the glucocorticoid receptor that is 120 times higher than the parent compound. The precise mechanism through which ciclesonide affects allergic rhinitis symptoms is not known. Corticosteroids have been shown to have a wide range of effects on multiple cell types (e.g., mast cells, eosinophils, neutrophils, macrophages, and lymphocytes) and mediators (e.g., histamine, eicosanoids, leukotrienes, and cytokines) involved in allergic inflammation.","Absorption":"Ciclesonide and des-ciclesonide have negligible oral bioavailability (both less than 1%) due to low gastrointestinal absorption and high first-pass metabolism. The intranasal administration of ciclesonide at recommended doses results in negligible serum concentrations of ciclesonide.","Interactions":[{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00220"},{"ID":"DB00503"},{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01411","Name":"Pranlukast","DrugType":"small molecule","HalfLife":"","Description":"Pranlukast is a cysteinyl leukotriene receptor-1 antagonist. It antagonizes or reduces bronchospasm caused, principally in asthmatics, by an allergic reaction to accidentally or inadvertently encountered allergens.","Classification":{"Description":"This compound belongs to the chromones. These are compounds containing a benzopyran-4-one moiety.","DirectParent":"Chromones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Chromones"},"Indication":"Used as an adjunct to the standard therapy of inhaled steroids with inhaled long- and/or short-acting beta-agonists. ","Toxicity":"Side effects include headache, abdominal or stomach pain, cough, dental pain, dizziness, fever, heartburn, skin rash, stuffy nose, weakness or unusual tiredness.","MechanismOfAction":"Pranlukast selectively antagonizes leukotriene D\u003csub\u003e4\u003c/sub\u003e (LTD\u003csub\u003e4\u003c/sub\u003e) at the cysteinyl leukotriene receptor, CysLT\u003csub\u003e1\u003c/sub\u003e, in the human airway. Pranlukast inhibits the actions of LTD\u003csub\u003e4\u003c/sub\u003e at the CysLT\u003csub\u003e1\u003c/sub\u003e receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus.","Pharmacodynamics":"Pranlukast is a cysteinyl leukotriene receptor-1 antagonist.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01412","Name":"Theobromine","DrugType":"small molecule","HalfLife":"","Description":"3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than theophylline and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9)","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"theobromine is used as a vasodilator, a diuretic, and heart stimulant. And similar to caffeine, it may be useful in management of fatigue and orthostatic hypotension.","Toxicity":"","MechanismOfAction":"Theobromine stimulates medullary, vagal, vasomotor, and respiratory centers, promoting bradycardia, vasoconstriction, and increased respiratory rate. This action was previously believed to be due primarily to increased intracellular cyclic 3\u0026prime;,5\u0026prime;-adenosine monophosphate (cyclic AMP) following inhibition of phosphodiesterase, the enzyme that degrades cyclic AMP. It is now thought that xanthines such as caffeine and theobromine act as antagonist at adenosine-receptors within the plasma membrane of virtually every cell. As adenosine acts as an autocoid, inhibiting the release of neurotransmitters from presynaptic sites but augmenting the actions of norepinephrine or angiotensin, antagonism of adenosine receptors promotes neurotransmitter release. This explains the stimulatory effects of xanthine derivatives such as theobromine and caffeine. Blockade of the adenosine A1 receptor in the heart leads to the accelerated, pronounced \"pounding\" of the heart upon caffeine intake.","Pharmacodynamics":"Theobromine, a xanthine derivative like caffeine and the bronchodilator theophylline, is used as a CNS stimulant, mild diuretic, and respiratory stimulant (in neonates with apnea of prematurity). ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00028","Drugs":["DB00201","DB00277","DB01412"]}]},{"ID":"DB01413","Name":"Cefepime","DrugType":"small molecule","HalfLife":"2.0 (\u0026plusmn; 0.3) hours in normal patients. The average half-life in patients requiring hemodialysis was 13.5 (\u0026plusmn; 2.7) hours and in patients requiring continuous peritoneal dialysis was 19.0 (\u0026plusmn; 2.0) hours.","Description":"Cefepime is a fourth-generation cephalosporin antibiotic developed in 1994. Cefepime has an extended spectrum of activity against Gram-positive and Gram-negative bacteria, with greater activity against both Gram-negative and Gram-positive organisms than third-generation agents. Cefepime is usually reserved to treat severe nosocomial pneumonia, infections caused by multi-resistant microorganisms (e.g. Pseudomonas aeruginosa) and empirical treatment of febrile neutropenia.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of pneumonia (moderate to severe) caused by \u003ci\u003eStreptococcus pneumoniae\u003c/i\u003e, including cases associated with concurrent bacteremia, \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e, \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, or \u003ci\u003eEnterobacter\u003c/i\u003e species. Also for empiric treatment of febrile neutropenic patients and uncomplicated and complicated urinary tract infections (including pyelonephritis) caused by \u003ci\u003eEscherichia coli\u003c/i\u003e or \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, when the infection is severe, or caused by \u003ci\u003eEscherichia coli\u003c/i\u003e, \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, or \u003ci\u003eProteus mirabilis\u003c/i\u003e, when the infection is mild to moderate, including cases associated with concurrent bacteremia with these microorganisms. Also for the treatment of uncomplicated skin and skin structure infections caused by \u003ci\u003eStaphylococcus aureus\u003c/i\u003e (methicillin-susceptible strains only) or \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e and complicated intra-abdominal infections (used in combination with metronidazole) caused by \u003ci\u003eEscherichia coli\u003c/i\u003e, viridans group streptococci, \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e, \u003ci\u003eKlebsiella pneumoniae\u003c/i\u003e, \u003ci\u003eEnterobacter\u003c/i\u003e species, or \u003ci\u003eBacteroides fragilis\u003c/i\u003e.","Toxicity":"Symptoms of overdose include seizures, encephalopathy, and neuromuscular excitability.","MechanismOfAction":"Cephalosporins are bactericidal and have the same mode of action as other beta-lactam antibiotics (such as penicillins). Cephalosporins disrupt the synthesis of the peptidoglycan layer of bacterial cell walls. The peptidoglycan layer is important for cell wall structural integrity, especially in Gram-positive organisms. The final transpeptidation step in the synthesis of the peptidoglycan is facilitated by transpeptidases known as penicillin binding proteins (PBPs).","Pharmacodynamics":"Cefepime is a fourth-generation cephalosporin antibiotic developed in 1994. Cefepime has an extended spectrum of activity against Gram-positive and Gram-negative bacteria, with greater activity against both Gram-negative and Gram-positive organisms than third-generation agents. Cefepime has good activity against important pathogens including Pseudomonas aeruginosa, Staphylococcus aureus, and multiple drug resistant Streptococcus pneumoniae. A particular strength is its activity against Enterobacteriaceae. Whereas other cephalosporins are degraded by many plasmid- and chromosome-mediated beta-lactamases, cefepime is stable and is a front line agent when infection with Enterobacteriaceae is known or suspected","Absorption":"The absolute bioavailability of cefepime after an IM dose of 50 mg/kg was 82.3 (\u0026plusmn;15)% in eight patients.","Interactions":[{"ID":"DB01032"}],"Salts":[{"ID":"DBSALT000919","Name":"Cefepime dihydrochloride monohydrate"},{"ID":"DBSALT000920","Name":"Cefepime hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01414","Name":"Cefacetrile","DrugType":"small molecule","HalfLife":"1.2 hours","Description":"A derivative of 7-aminocephalosporanic acid.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Cefacetrile is a broad-spectrum first generation cephalosporin antibiotic effective in Gram-positive and Gram-negative bacterial infections.","Toxicity":"","MechanismOfAction":"In vitro tests demonstrate that the bactericidal action of cephalosporins results from inhibition of cell wall synthesis. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins.","Pharmacodynamics":"Cefacetrile is effective against many Gram-positive bacterial strains and somewhat less effective against Gram-negative species. It works by inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01415","Name":"Ceftibuten","DrugType":"small molecule","HalfLife":"","Description":"Ceftibuten is a third-generation cephalosporin antibiotic. It is an orally-administered agent. Cefalexin is used to treat acute bacterial exacerbations of chronic bronchitis (ABECB), acute bacterial otitis media, pharyngitis, and tonsilitis.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to treat acute bacterial exacerbations of chronic bronchitis (ABECB), acute bacterial otitis media, pharyngitis, and tonsilitis.","Toxicity":"Overdosage of cephalosporins can cause cerebral irritation leading to convulsions. ","MechanismOfAction":"Ceftibuten exerts its bactericidal action by binding to essential target proteins of the bacterial cell wall. This binding leads to inhibition of cell-wall synthesis.","Pharmacodynamics":"Ceftibuten is a third-generation cephalosporin antibiotic.","Absorption":"Rapidly absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01416","Name":"Cefpodoxime","DrugType":"small molecule","HalfLife":"2.09 to 2.84 hours","Description":"Cefpodoxime is an oral third generation cephalosporin antibiotic. It is active against most Gram positive and Gram negative bacteria. It is commonly used to treat acute otitis media, pharyngitis, and sinusitis. Cefpodoxime proxetil is a prodrug which is absorbed and de-esterified by the intestinal mucosa to Cefpodoxime.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of patients with mild to moderate infections caused by susceptible strains of the designated microorganisms.","Toxicity":"","MechanismOfAction":"Cefpodoxime is active against a wide spectrum of Gram-positive and Gram-negative bacteria. Cefpodoxime is stable in the presence of beta-lactamase enzymes. As a result, many organisms resistant to penicillins and cephalosporins, due to their production of beta-lactamase, may be susceptible to cefpodoxime. Cefpodoxime is inactivated by certain extended spectrum beta-lactamases. The bactericidal activity of cefpodoxime results from its inhibition of cell wall synthesis. The active metabolite of cefpodoxime binds preferentially to penicillin binding protein 3, which inhibits production of peptidoglycan, the primary constituent of bacterial cell walls.","Pharmacodynamics":"Cefpodoxime is an oral third generation cephalosporin antibiotic. It is active against most Gram positive and Gram negative bacteria. Notable exceptions include \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e, \u003ci\u003eEnterococcus\u003c/i\u003e, and \u003ci\u003eBacteroides fragilis\u003c/i\u003e.","Absorption":"Cefpodoxime proxetil is a prodrug that is absorbed from the gastrointestinal tract and de-esterified to its active metabolite, cefpodoxime. Following oral administration of 100 mg of cefpodoxime proxetil to fasting subjects, approximately 50% of the administered cefpodoxime dose was absorbed systemically.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01418","Name":"Acenocoumarol","DrugType":"small molecule","HalfLife":"8 to 11 hours.","Description":"Acenocoumarol is a coumarin derivative used as an anticoagulant. Coumarin derivatives inhibit the reduction of vitamin K by vitamin K reductase. This prevents carboxylation of vitamin K-dependent clotting factors, II, VII, XI and X, and interferes with coagulation. Hematocrit, hemoglobin, international normalized ratio and liver panel should be monitored. Patients on acenocoumarol are prohibited from giving blood. ","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"For the treatment and prevention of thromboembolic diseases. More specifically, it is indicated for the for the prevention of cerebral embolism, deep vein thrombosis, pulmonary embolism, thromboembolism in infarction and transient ischemic attacks. It is used for the treatment of deep vein thrombosis and myocardial infarction.","Toxicity":"The onset and severity of the symptoms are dependent on the individual's sensitivity to oral anticoagulants, the severity of the overdosage, and the duration of treatment. Bleeding is the major sign of toxicity with oral anticoagulant drugs. The most frequent symptoms observed are: cutaneous bleeding (80%), haematuria (with renal colic) (52%), haematomas, gastrointestinal bleeding, haematemesis, uterine bleeding, epistaxis, gingival bleeding and bleeding into the joints. Further symptoms include tachycardia, hypotension, peripheral circulatory disorders due to loss of blood, nausea, vomiting, diarrhoea and abdominal pains.","MechanismOfAction":"Acenocoumarol inhibits vitamin K reductase, resulting in depletion of the reduced form of vitamin K (vitamin KH2). As vitamin K is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent clotting factors, this limits the gamma-carboxylation and subsequent activation of the vitamin K-dependent coagulant proteins. The synthesis of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited resulting in decreased prothrombin levels and a decrease in the amount of thrombin generated and bound to fibrin. This reduces the thrombogenicity of clots.","Pharmacodynamics":"Acenocoumarol inhibits the reduction of vitamin K by vitamin K reductase. This prevents carboxylation of certain glutamic acid residues near the N-terminals of clotting factors II, VII, IX and X, the vitamin K-dependent clotting factors. Glutamic acid carboxylation is important for the interaction between these clotting factors and calcium. Without this interaction, clotting cannot occur. Both the extrinsic (via factors VII, X and II) and intrinsic (via factors IX, X and II) are affected by acenocoumarol.","Absorption":"Rapidly absorbed orally with greater than 60% bioavailability. Peak plasma levels are attained 1 to 3 hours following oral administration. ","Interactions":[{"ID":"DB00316"},{"ID":"DB00945"},{"ID":"DB00437"},{"ID":"DB00357"},{"ID":"DB01118"},{"ID":"DB00701"},{"ID":"DB00673"},{"ID":"DB01072"},{"ID":"DB00993"},{"ID":"DB00207"},{"ID":"DB00443"},{"ID":"DB00559"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB01101"},{"ID":"DB00564"},{"ID":"DB01330"},{"ID":"DB01331"},{"ID":"DB01212"},{"ID":"DB00482"},{"ID":"DB01432"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB00636"},{"ID":"DB00375"},{"ID":"DB00531"},{"ID":"DB01406"},{"ID":"DB00618"},{"ID":"DB01234"},{"ID":"DB00647"},{"ID":"DB00509"},{"ID":"DB00485"},{"ID":"DB00861"},{"ID":"DB00822"},{"ID":"DB00254"},{"ID":"DB00199"},{"ID":"DB00189"},{"ID":"DB00977"},{"ID":"DB00749"},{"ID":"DB01628"},{"ID":"DB01039"},{"ID":"DB00573"},{"ID":"DB00196"},{"ID":"DB00687"},{"ID":"DB00544"},{"ID":"DB00472"},{"ID":"DB01185"},{"ID":"DB00712"},{"ID":"DB01095"},{"ID":"DB00176"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00317"},{"ID":"DB00441"},{"ID":"DB01241"},{"ID":"DB01381"},{"ID":"DB01437"},{"ID":"DB00400"},{"ID":"DB00741"},{"ID":"DB01050"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00328"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB01097"},{"ID":"DB00848"},{"ID":"DB01137"},{"ID":"DB00451"},{"ID":"DB00227"},{"ID":"DB01283"},{"ID":"DB00603"},{"ID":"DB00784"},{"ID":"DB00358"},{"ID":"DB00814"},{"ID":"DB01033"},{"ID":"DB00763"},{"ID":"DB00916"},{"ID":"DB01110"},{"ID":"DB01017"},{"ID":"DB00648"},{"ID":"DB00218"},{"ID":"DB00461"},{"ID":"DB00779"},{"ID":"DB00788"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB01059"},{"ID":"DB01165"},{"ID":"DB01083"},{"ID":"DB00991"},{"ID":"DB03585"},{"ID":"DB00715"},{"ID":"DB00806"},{"ID":"DB01174"},{"ID":"DB00812"},{"ID":"DB00252"},{"ID":"DB00554"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB01182"},{"ID":"DB00550"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00863"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00605"},{"ID":"DB00675"},{"ID":"DB00976"},{"ID":"DB00469"},{"ID":"DB00894"},{"ID":"DB00624"},{"ID":"DB01420"},{"ID":"DB00759"},{"ID":"DB00730"},{"ID":"DB00599"},{"ID":"DB01600"},{"ID":"DB00560"},{"ID":"DB01124"},{"ID":"DB00500"},{"ID":"DB05275"},{"ID":"DB00374"},{"ID":"DB00620"},{"ID":"DB01157"},{"ID":"DB00549"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00269","Drugs":["DB01373","DB01418"]}]},{"ID":"DB01419","Name":"Antrafenine","DrugType":"small molecule","HalfLife":"","Description":"Antrafenine is a piperazine derivative drug that acts as an analgesic and anti-inflammatory drug with similar efficacy to naproxen. It is not widely used as it has largely been replaced by newer drugs.","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"Antrafenine is used as an anti-inflammatory and analgesic agent for the relief of mild to moderate pain.","Toxicity":"","MechanismOfAction":"Antrafenine is believed to be associated with the inhibition of cyclooxygenase activity. Two unique cyclooxygenases have been described in mammals. The constitutive cyclooxygenase, COX-1, synthesizes prostaglandins necessary for normal gastrointestinal and renal function. The inducible cyclooxygenase, COX-2, generates prostaglandins involved in inflammation. Inhibition of COX-1 is thought to be associated with gastrointestinal and renal toxicity while inhibition of COX-2 provides anti-inflammatory activity.","Pharmacodynamics":"Its mode of action is not fully understood; however, its ability to inhibit prostaglandin synthesis may be involved in the anti-inflammatory effect.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00693","Drugs":["DB00142","DB00143","DB01373","DB01419","DB01593","DB04557"]}]},{"ID":"DB01420","Name":"Testosterone Propionate","DrugType":"small molecule","HalfLife":"","Description":"An ester of testosterone with a propionate substitution at the 17-beta position. [PubChem]","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"Testosterone propionate is an anabolic steroid and a short ester form of testosterone that becomes active in the body. It is often used for muscle mass building.","Toxicity":"Side effects include amnesia, anxiety, discolored hair, dizziness, dry skin, hirsutism, hostility, impaired urination, paresthesia, penis disorder, peripheral edema, sweating, and vasodilation.","MechanismOfAction":"The effects of testosterone in humans and other vertebrates occur by way of two main mechanisms: by activation of the androgen receptor (directly or as DHT), and by conversion to estradiol and activation of certain estrogen receptors. Free testosterone (T) is transported into the cytoplasm of target tissue cells, where it can bind to the androgen receptor, or can be reduced to 5\u0026alpha;-dihydrotestosterone (DHT) by the cytoplasmic enzyme 5\u0026alpha;-reductase. DHT binds to the same androgen receptor even more strongly than T, so that its androgenic potency is about 2.5 times that of T. The T-receptor or DHT-receptor complex undergoes a structural change that allows it to move into the cell nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects.","Pharmacodynamics":"Testosterone is a steroid hormone from the androgen group. Testosterone is primarily secreted from the testes of males. In females, it is produced in the ovaries, adrenal glands and by conversion of adrostenedione in the periphery. It is the principal male sex hormone and an anabolic steroid. In both males and females, it plays key roles in health and well-being. Examples include enhanced libido, energy, immune function, and protection against osteoporosis. On average, the adult male body produces about twenty times the amount of testosterone than an adult female's body does. In the body, this ester form of testosterone is hydrolyzed rapidly and become actively available as testosterone.","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB00091"},{"ID":"DB01248"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01421","Name":"Paromomycin","DrugType":"small molecule","HalfLife":"","Description":"An oligosaccharide antibiotic produced by various streptomyces. [PubChem]","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For the treatment of acute and chronic intestinal amebiasis (it is not effective in extraintestinal amebiasis). Also for the management of hepatic coma as adjunctive therapy.","Toxicity":"","MechanismOfAction":"Paromomycin inhibits protein synthesis by binding to 16S ribosomal RNA. Bacterial proteins are synthesized by ribosomal RNA complexes which are composed of 2 subunits, a large subunit (50s) and small (30s) subunit, which forms a 70s ribosomal subunit. tRNA binds to the top of this ribosomal structure. Paramomycin binds to the A site, which causes defective polypeptide chains to be produced. Continuous production of defective proteins eventually leads to bacterial death.","Pharmacodynamics":"Paromomycin is a broad spectrum aminoglycoside antibiotic produced by \u003ci\u003eStreptomyces rimosus\u003c/i\u003e var. paromomycinus. The in vitro and in vivo antibacterial action of paromomycin closely parallels that of neomycin.","Absorption":"Poorly absorbed after oral administration, with almost 100% of the drug recoverable in the stool.","Interactions":null,"Salts":[{"ID":"DBSALT000265","Name":"Paramomycin sulfate"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00714","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01421","DB01972","DB02431","DB03685"]}]},{"ID":"DB01422","Name":"Nitroxoline","DrugType":"small molecule","HalfLife":"","Description":"Nitroxoline is a urinary antibacterial agent active against susceptible gram-positive and gram-negative organisms commonly found in urinary tract infections. It is a fluorquinolone that is active against bacterial gyrases.","Classification":{"Description":"This compound belongs to the nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.","DirectParent":"Nitroquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Nitroquinolines and Derivatives"},"Indication":"Nitroxoline is an antibiotic agent.","Toxicity":"","MechanismOfAction":"This drug may also have antitumor activity by inhibition of type 2 methionine aminopeptidase (MetAP2) protein which is involved in angiogenesis. Its antibacterial activity may stem from the metal ion complexation vital for bacterial growth.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01423","Name":"Stepronin","DrugType":"small molecule","HalfLife":"","Description":"Strepronin is a mucolytic drug. A mucolytic agent is any agent which dissolves thick mucus usually used to help relieve respiratory difficulties. The viscosity of mucous secretions in the lungs is dependent upon the concentrations of mucoprotein as well as the presence of disulfide bonds between these macromolecules and DNA.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Strepronin is a mucolytic (expectorant) drug.","Toxicity":"","MechanismOfAction":"An expectorant increases bronchial secretions and mucolytics help loosen thick bronchial secretions. Expectorants reduce the thickness or viscosity of bronchial secretions thus increasing mucus flow that can be removed more easily through coughing, Mucolytics break down the chemical structure of mucus molecules. The mucus becomes thinner and can be removed more easily through coughing.","Pharmacodynamics":"The drug promotes drainage of mucus from the lungs by thinning the mucus and lubricating the irritated respiratory tract","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01424","Name":"Aminophenazone","DrugType":"small molecule","HalfLife":"","Description":"A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of agranulocytosis. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of cytochrome P-450 metabolic activity in liver function tests. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"Formerly widely used as an antipyretic and analgesic in rheumatism, neuritis, and common colds. Currently used to measure total body water.","Toxicity":"Can cause life-threatening agranulocytosis.","MechanismOfAction":"Aminophenazone is metabolized very slowly by normal newborn babies. In older infants, a higher amount of exhaled 13-CO2 is observed.","Pharmacodynamics":"Aminophenazone is a pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of agranulocytosis. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of cytochrome P-450 metabolic activity in liver function tests. [Wikipedia]","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB01425","Name":"Alizapride","DrugType":"small molecule","HalfLife":"3 hours","Description":"Alizapride is a dopamine antagonist with prokinetic and antiemetic effects used in the treatment of nausea and vomiting, including postoperative nausea and vomiting.","Classification":{"Description":"This compound belongs to the salicylic acid and derivatives. These are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof.","DirectParent":"Salicylic Acid and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Alizapride is used in the treatment of nausea and vomiting, including postoperative nausea and vomiting. ","Toxicity":"","MechanismOfAction":"The anti-emetic action of Alizapride is due to its antagonist activity at D2 receptors in the chemoreceptor trigger zone (CTZ) in the central nervous system (CNS)—this action prevents nausea and vomiting triggered by most stimuli. Structurally similar to metoclopramide and, therefore, shares similar other atributres related to emesis and prokinetics.","Pharmacodynamics":"Alizapride is a dopamine antagonist.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000918","Name":"Alizapride hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01426","Name":"Ajmaline","DrugType":"small molecule","HalfLife":"","Description":"An alkaloid found in the root of Rauwolfia serpentina, among other plant sources. It is a class Ia antiarrhythmic agent that apparently acts by changing the shape and threshold of cardiac action potentials. Ajmaline produces potent sodium channel blocking effects and a very short half-life which makes it a very useful drug for acute intravenous treatments. The drug has been very popular in some countries for the treatment of atrial fibrillation in patients with the Wolff–Parkinson–White syndrome and in well tolerated monomorphic ventricular tachycardias. It has also been used for many years as a drug to challenge the conduction system of the heart in cases of bundle branch block and syncope. In these cases, abnormal prolongation of the HV interval has been taken as a proof for infrahisian conduction defects tributary for permanent pacemaker implantation.","Classification":{"Description":"This compound belongs to the ajmaline-sarpagine alkaloids. These are organic compounds containing either of the indole structures ajmaline, sarpagine, or derivative thereof.","DirectParent":"Ajmaline-Sarpagine Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Ajmaline-Sarpagine Alkaloids","SubClass":""},"Indication":"For use as an antiarrhythmic agent.","Toxicity":"","MechanismOfAction":"The class I antiarrhythmic agents interfere with the sodium channel. A class IA agent lengthens the action potential (right shift) which brings about improvement in abnormal heart rhythms. This drug in particular has a high affinity for the Nav 1.5 sodium channel.","Pharmacodynamics":"Ajmaline is a class 1A antiarrhythmic agent. By interfering with the sodium channels, this drug allows for improvement in abnormal rhythms of the heart","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01427","Name":"Amrinone","DrugType":"small molecule","HalfLife":"5 to 8 hours","Description":"Amrinone (or inamrinone) is a type 3 pyridine phosphodiesterase inhibitor. It is used in the treatment of congestive heart failure.","Classification":{"Description":"This compound belongs to the bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.","DirectParent":"Bipyridines and Oligopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Bipyridines and Oligopyridines"},"Indication":"Used in the treatment of congestive heart failure.","Toxicity":"","MechanismOfAction":"Amrinone is a phosphodiesterase inhibitor (PDE3), resulting in increased cAMP and cGMP which leads to an increase in the calcium influx like that caused by beta-agonists resulting in increased inotropic effect.","Pharmacodynamics":"Amrinone is a positive inotropic cardiotonic with vasodilator properties, phosphodiesterase inhibitory activity, and the ability to stimulate calcium ion influx into the cardiac cell.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01428","Name":"Oxybenzone","DrugType":"small molecule","HalfLife":"","Description":"Oxybenzone is an organic compound used in sunscreens. It is a derivative of benzophenone. It forms colorless crystals that are readily soluble in most organic solvents. It is used as an ingredient in sunscreen and other cosmetics because it absorbs UV-A ultraviolet rays.","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"Used as an ingredient in sunscreen and other cosmetics.","Toxicity":"","MechanismOfAction":"Oxybenzone absorbs UV-A ultraviolet rays, preventing them from reaching the skin.","Pharmacodynamics":"Oxybenzone is an organic compound used in sunscreens. It is a derivative of benzophenone.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01429","Name":"Aprindine","DrugType":"small molecule","HalfLife":"","Description":"A cardiac depressant used in arrhythmias. [PubChem]","Classification":{"Description":"This compound belongs to the indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.","DirectParent":"Indanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000917","Name":"Aprindine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01430","Name":"Almitrine","DrugType":"small molecule","HalfLife":"","Description":"A respiratory stimulant that enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies. The drug increases arterial oxygen tension while decreasing arterial carbon dioxide tension in patients with chronic obstructive pulmonary disease. It may also prove useful in the treatment of nocturnal oxygen desaturation without impairing the quality of sleep. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of chronic obstructive pulmonary disease.","Toxicity":"","MechanismOfAction":"Almitrine enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies. \r\nThe drug increases arterial oxygen tension while decreasing arterial carbon dioxide tension in patients with chronic obstructive pulmonary disease.","Pharmacodynamics":"Almitrine is a respiratory stimulant that enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies. The drug increases arterial oxygen tension while decreasing arterial carbon dioxide tension in patients with chronic obstructive pulmonary disease. It may also prove useful in the treatment of nocturnal oxygen desaturation without impairing the quality of sleep.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000916","Name":"Almitrine mesylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01431","Name":"Allylestrenol","DrugType":"small molecule","HalfLife":"","Description":"A synthetic steroid with progestational activity. [PubChem]","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"Allylestrenol was designed to be used for miscarriage prevention, prevention of premature labour and has been investigated for possible use in men for treatment for benign prostatic hyperplasia.","Toxicity":"","MechanismOfAction":"Allylestrenol is similar in structure and function to progesterone. Progesterone shares the pharmacological actions of the progestins. Progesterone binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like Progesterone will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge. In women who have adequate endogenous estrogen, progesterone transforms a proliferative endometrium into a secretory one. Progesterone is essential for the development of decidual tissue and is necessary to increase endometrial receptivity for implantation of an embryo. Once an embryo has been implanted, progesterone acts to maintain the pregnancy. Progesterone also stimulates the growth of mammary alveolar tissue and relaxes uterine smooth muscle. It has little estrogenic and androgenic activity.","Pharmacodynamics":"Allylestrenol is a progestogen structurally related to progesterone that has been given in threatened and recurrent miscarriage, and to prevent premature labour. However, with the exception of proven progesterone deficiency, such use is no longer recommended. In threatened miscarriage in progesterone-deficient women a suggested dose is 5 mg three times daily by mouth for 5 to 7 days.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01432","Name":"Cholestyramine","DrugType":"small molecule","HalfLife":"6 minutes","Description":"Cholestyramine or colestyramine is a bile acid sequestrant. Bile acid sequestrants are polymeric compounds which serve as ion exchange resins. Cholestyramine resin is quite hydrophilic, but insoluble in water.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Indicated as adjunctive therapy to diet for the reduction of elevated serum cholesterol in patients with primary hypercholesterolemia (elevated low density lipoprotein [LDL] cholesterol) who do not respond adequately to diet. Also for the relief of pruritus associated with partial biliary obstruction.","Toxicity":"Overdose may result in blockage of intestine or stomach.","MechanismOfAction":"Cholestyramine binds bile in the gastrointestinal tract to prevent its reabsorption. The resin is a strong anion exchange resin, which means that it can exchange its chloride anions with anionic bile acids in the gastrointestinal tract and bind them strongly in the resin matrix. The functional group of the anion exchange resin is a quaternary ammonium group attached to an inert styrene-divinylbenzene copolymer.","Pharmacodynamics":"Cholesterol is probably the sole precursor of bile acids. During normal digestion, bile acids are secreted into the intestines. A major portion of the bile acids is absorbed from the intestinal tract and returned to the liver via the enterohepatic circulation. Only very small amounts of bile acids are found in normal serum. Cholestyramine resin adsorbs and combines with the bile acids in the intestine to form an insoluble complex which is excreted in the feces. This results in a partial removal of bile acids from the enterohepatic circulation by preventing their absorption.","Absorption":"Not absorbed from the gastrointestinal tract following oral administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB01393"},{"ID":"DB00880"},{"ID":"DB00169"},{"ID":"DB00266"},{"ID":"DB00390"},{"ID":"DB00973"},{"ID":"DB01095"},{"ID":"DB00741"},{"ID":"DB00451"},{"ID":"DB00279"},{"ID":"DB01583"},{"ID":"DB08827"},{"ID":"DB00563"},{"ID":"DB00481"},{"ID":"DB00421"},{"ID":"DB00605"},{"ID":"DB00469"},{"ID":"DB01584"},{"ID":"DB01600"},{"ID":"DB00500"},{"ID":"DB00214"},{"ID":"DB01021"},{"ID":"DB00197"},{"ID":"DB01586"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01433","Name":"Methadyl Acetate","DrugType":"small molecule","HalfLife":"","Description":"A narcotic analgesic with a long onset and duration of action. It is used mainly in the treatment of narcotic dependence. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Used mainly in the treatment of narcotic dependence.","Toxicity":"","MechanismOfAction":"Methadyl Acetate is primarily a mu-type opioid receptor agonist. It functions similarily to methadone.","Pharmacodynamics":"Methadyl Acetate is a narcotic analgesic with a long onset and duration of action. The drug decreases a patients opioid use by preventing opioid withdrawal and in how it can mimic some of the effects of opioids.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00678","Drugs":["DB00368","DB00988","DB01345","DB01373","DB01433"]}]},{"ID":"DB01434","Name":"19-norandrostenedione","DrugType":"small molecule","HalfLife":"","Description":"19-Norandrostenedione refers to two steroid isomers that were once marketed as dietary supplements and mainly used by body builders. After 2005, 19-Norandrostenedione was regulated in the United States as a schedule III controlled substance, as well as banned from use in competitive sports by the World Anti-Doping Agency. \r\n\r\nIn the body 19-norandrostenedione is rapidly metabolized into nandrolone, also known as nortestosterone.","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"The claim that supplemental 19-norandrostenedione has anabolic effects is unsubstantiated.","Toxicity":"","MechanismOfAction":"19-Norandrostenedione may be metabolized to 19-nortestosterone in both men and women. 19-Norandrostenedione, also known as nandrolone, is the basic substance of some very popular injectable anabolic steroids, however 19-norandrostenedione is not metabolized to testosterone. Whether or not increases in 19-nortestosterone levels would be sustained long enough by taking 19-norandrostenedione to show an increase in nitrogen retention and muscle strength and mass is unknown.\r\n\r\n19-Norandrostenedione has also been shown to bind to androgen receptors with high selectivity. Transactivation of androgen receptor dependent reporter gene expression was 10 times lower than that produced by dihydrotestosterone. [1] ","Pharmacodynamics":"","Absorption":"Absorption appears variable, but some absorption does occur.","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01435","Name":"Antipyrine","DrugType":"small molecule","HalfLife":"","Description":"An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29)","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"Antipyrine is an analgesic often used to test effects of other drugs on liver enzymes..","Toxicity":"","MechanismOfAction":"Antipyrine is thought to act primarily in the CNS, increasing the pain threshold by inhibiting both isoforms of cyclooxygenase, COX-1, COX-2, and COX-3 enzymes involved in prostaglandin (PG) synthesis.","Pharmacodynamics":"Antipyrine is an analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29)","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00692","Drugs":["DB00142","DB00143","DB01373","DB01435","DB01593","DB04557"]}]},{"ID":"DB01436","Name":"Alfacalcidol","DrugType":"small molecule","HalfLife":"","Description":"Alfacalcidol is an active metabolite of Vitamin D, which performs important functions in regulation of the calcium balance and the bone metabolism. Alfacalcidol is Vitamin D-hormone analog which is activated by the enzyme 25-hydroxylase in the liver for systemic and in osteoblasts for local D-hormone actions. It possesses a unique pattern of pleiotropic effects on, e.g. gut, bone, pararthyroids, muscle and brain. Alfacalcidol is superior to plain vitamin D (cholecalciferol) because the final kidney activation of the latter is regulated by a negative feedback mechanism. (PMID:17438884,17668216)\r\n","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"Alfacalcidol is an active metabolite of Vitamin D, which performs important functions in regulation of the calcium balance and the bone metabolism.","Toxicity":"Hypercalcemia - Early symptoms of hypercalcemia, include nausea and vomiting, weakness, headache, somnolence, dry mouth, constipation, metallic taste, muscle pain and bone pain. Late symptoms and signs of hypercalcemia, include polyuria, polydipsia, anorexia, weight loss, nocturia, conjunctivitis, pancreatitis, photophobia, rhinorrhea, pruritis, hyperthermia, decreased libido, elevated BUN, albuminuria, hypercholesterolemia, elevated ALT (SGPT) and AST (SGOT), ectopic calcification, nephrocalcinosis, hypertension and cardiac arrhythmias.","MechanismOfAction":"The first step involved in the activation of vitamin D3 is a 25-hydroxylation which is catalysed by the 25-hydroxylase in the liver and then by other enzymes. The mitochondrial sterol 27-hydroxylase catalyses the first reaction in the oxidation of the side chain of sterol intermediates. The active form of vitamin D3 (calcitriol) binds to intracellular receptors that then function as transcription factors to modulate gene expression. Like the receptors for other steroid hormones and thyroid hormones, the vitamin D receptor has hormone-binding and DNA-binding domains. The vitamin D receptor forms a complex with another intracellular receptor, the retinoid-X receptor, and that heterodimer is what binds to DNA. In most cases studied, the effect is to activate transcription, but situations are also known in which vitamin D suppresses transcription. Calcitriol increases the serum calcium concentrations by: increasing GI absorption of phosphorus and calcium, increasing osteoclastic resorption, and increasing distal renal tubular reabsorption of calcium. Calcitriol appears to promote intestinal absorption of calcium through binding to the vitamin D receptor in the mucosal cytoplasm of the intestine. Subsequently, calcium is absorbed through formation of a calcium-binding protein.","Pharmacodynamics":"Alfacalcidol is Vitamin D-hormone analog which is activated by the enzyme 25-hydroxylase in the liver for systemic and in osteoblasts for local D-hormone actions.","Absorption":"","Interactions":[{"ID":"DB02300"},{"ID":"DB00169"},{"ID":"DB00930"}],"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB01437","Name":"Glutethimide","DrugType":"small molecule","HalfLife":"10-12 hours","Description":"A hypnotic and sedative. Its use has been largely superseded by other drugs. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"For the treatment of insomnia.","Toxicity":"In adults, death has been reported after 5 g. The usual lethal dose is 10 to 20g, although survival after a dose of 28 g has been reported.","MechanismOfAction":"Glutethimide seems to be a GABA agonist which helps induced sedation. It also induces CYP 2D6. When taken with codeine, it enables the body to convert higher amounts of the codeine (higher than the average 5 - 10%) to morphine. The general sedative effect also adds to the power of the combination.","Pharmacodynamics":"Glutethimide is a hypnotic sedative that was introduced in 1954 as a safe alternative to barbiturates to treat insomnia. Before long, however, it had become clear that glutethimide was just as likely to cause addiction and caused similarly severe withdrawal symptoms.","Absorption":"Variable","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"},{"ID":"DB00427"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01438","Name":"Phenazopyridine","DrugType":"small molecule","HalfLife":"7.35 hours","Description":"A local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity. [PubChem]","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"For the symptomatic relief of pain, burning, urgency, frequency, and other discomforts arising from irritation of the lower urinary tract mucosa caused by infection, trauma, surgery, endoscopic procedures, or the passage of sounds or catheters.","Toxicity":"Methemoglobinemia generally follows a massive, acute overdose.","MechanismOfAction":"Phenazopyridine's mechanism of action is not well known, and only basic information on its interaction with the body is available. It is known that the chemical has a direct topical analgesic effect on the mucosa lining of the urinary tract. ","Pharmacodynamics":"Phenazopyridine is a local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000915","Name":"Phenazopyridine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01439","Name":"3-Methylthiofentanyl","DrugType":"small molecule","HalfLife":"","Description":"3-Methyl-thiofentanyl is an opioid analgesic that is an analogue of fentanyl.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"Side effects of fentanyl analogues are similar to those of fentanyl itself, which include itching, nausea and potentially serious respiratory depression which can be life-threatening.","MechanismOfAction":"3-Methylthiofentanyl binds to the mu, delta, and kappa opioid receptors. These ultimately lead to decreased pain sensation as well as a number of side effects, such as euphoria, sedation, depressed breathing.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01440","Name":"Gamma Hydroxybutyric Acid","DrugType":"small molecule","HalfLife":"30 to 60 minutes","Description":"Gamma Hydroxybutyric Acid, commonly abbreviated GHB, is a therapeutic drug which is illegal in multiple countries. It is currently regulated in the US and sold by Jazz Pharmaceuticals under the name Xyrem. However, it is important to note that GHB is a designated Orphan drug (in 1985). Today Xyrem is a Schedule III drug; however GHB remains a Schedule I drug and the illicit use of Xyrem falls under penalties of Schedule I. GHB is a naturally occurring substance found in the central nervous system, wine, beef, small citrus fruits and almost all other living creatures in small amounts. It is used illegally under the street names Juice, Liquid Ecstasy or simply G, either as an intoxicant, or as a date rape drug. Xyrem is a central nervous system depressant that reduces excessive daytime sleepiness and cataplexy in patients with narcolepsy.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Used as a general anesthetic, to treat conditions such as insomnia, clinical depression, narcolepsy, and alcoholism, and to improve athletic performance. ","Toxicity":"At higher doses, GHB may induce nausea, dizziness, drowsiness, agitation, visual disturbances, depressed breathing, amnesia, unconsciousness, and death.","MechanismOfAction":"GHB reaches much higher concentrations in the brain and activates GABAB receptors, which are primarily responsible for its sedative effects. GHB receptors are densely expressed in many areas of the brain, including the cortex and hippocampus, and these are the receptors that GHB displays the highest affinity for. There has been somewhat limited research into the GHB receptor; however, there is evidence that activation of the GHB receptor in some brain areas results in the release of glutamate, the principal excitatory neurotransmitter.\r\nActivation of both the GHB receptor and GABA(B) is responsible for the addictive profile of GHB. GHB's effect on dopamine release is biphasic,[19] low concentrations stimulate dopamine release via the GHB receptor.[20] Higher concentrations inhibit dopamine release via GABA(B) receptors as do other GABA(B) agonists such as baclofen and phenibut.[21] After an initial phase of inhibition, dopamine release is then increased via the GHB receptor. This explains the paradoxical mix of sedative and stimulatory properties of GHB, as well as the so-called \"rebound\" effect, experienced by individuals using GHB as a sleeping agent, wherein they awake suddenly after several hours of GHB-induced deep sleep. That is to say that, over time, the concentration of GHB in the system decreases below the threshold for significant GABAB receptor activation and activates predominantly the GHB receptor, leading to wakefulness.","Pharmacodynamics":"GHB has at least two distinct binding sites in the central nervous system. GHB is an agonist at the newly-characterized GHB receptor, which is excitatory, and it is a weak agonist at the GABAB receptor, which is inhibitory. GHB is a naturally-occurring substance that acts in a similar fashion to some neurotransmitters in the mammalian brain. GHB is probably synthesized from GABA in GABAergic neurons, and released when the neurons fire.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01441","Name":"5-Methoxy-N,N-diisopropyltryptamine","DrugType":"small molecule","HalfLife":"","Description":"5-methoxy-N,N-diisopropyltryptamine (5-MeO-DIPT) is a tryptamine derivative and shares many similarities with schedule I tryptamine hallucinogens such as alpha-ethyltryptamine, N,N-dimethyltryptamine, N,N-diethyltryptamine, bufotenine, psilocybin and psilocin. Since 1999, there has been a growing popularity of 5-MeO-DIPT among drug abusers. This substance is abused for its hallucinogenic effects.","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"5-methoxy-diisopropyltryptamine, also known as 5-methoxy-N,N-diisopropyltryptamine, 5-MeO-DiPT, foxy methoxy, or just foxy, is a tryptamine that is used recreationally as a psychedelic. 5-MeO-DiPT is orally active, and dosages between 6–20 mg are commonly reported. Many users note an unpleasant body load accompanies higher dosages. 5-MeO-DiPT is also taken by insufflation, or sometimes it is smoked or injected. Some users also report sound distortion, also noted with the related drug, DiPT.","Absorption":"5-MeO-DIPT produces effects with an onset of 20 to 30 minutes and with peak effects occurring between 1 to 1.5 hours after administration. ","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01442","Name":"MMDA","DrugType":"small molecule","HalfLife":"","Description":"MMDA, or 3-methoxy-4,5-methylenedioxyamphetamine, is a stimulant and psychedelic drug of the amphetamine class. It also acts as an entheogen and an entactogen. MMDA bears resemblance to the psychopharmacologically active essential oils elemicin and myristicin found in nutmeg. The effects of MMDA includes feelings of euphoria and warmth, as well as realistic closed-eye visuals.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"MMDA is a recreational drug. It has no current medical uses and is a Schedule I controlled substance in the USA at present.","Toxicity":"","MechanismOfAction":"The mechanism that produces the psychedelic activity of MMDA has not been definitively established. There are, as of the present time, no reported studies on the human pharmacokinetics or metabolism of MMDA. Based on its structural relationship with other similar drugs for which the pharmacology is known, it is likely that MMDA has multiple mechanisms of action, and probably acts both as a 5HT2A agonist in a similar manner to hallucinogenic amphetamines such as DOM, and also as a serotonin releaser by reversing the direction of the serotonin reuptake transporter in a similar manner to MDMA.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01443","Name":"19-Nor-5-androstenedione","DrugType":"small molecule","HalfLife":"","Description":"19-Nor-5-andorstenedione is a prohormone which has the potential to affect bodily levels of testosterone once metabolized in vivo. It is regulated in the United States as a schedule III controlled substance, and prohibited by the World Anti-Doping Agency for use in competitive sports. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"Because 19-Nor-5-androstenedione is metabolically related to\r\nother controlled anabolic steroids, it is likely to have similar adverse health effects such as liver, heart and skin problems, hormonal disruptions, stunted growth,\r\nand psychological effects such as rage and depression. ","MechanismOfAction":"It is believed that 19-Nor-5-andorstenedione may be metabolized in the body to produce a metabolite which can activate the androgen receptor, similar to testosterone. However, androgen receptor activation is likely less than that of testosterone or dihydrotestosterone. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01444","Name":"Dimethylthiambutene","DrugType":"small molecule","HalfLife":"","Description":"Dimethylthiambutene (N,N-Dimethyl-1-methyl-3,3-di-2-thienylallylamine, Dimethibutin, Ohton) is an opioid analgesic drug. It is now under international control under Schedule I of the UN Single Convention On Narcotic Drugs 1961, presumably due to high abuse potential, although little more information is available.","Classification":{"Description":"This compound belongs to the thiophenes. These are compounds containing a five-member aromatic compound made up of one sulfur atom and four carbon atoms.","DirectParent":"Thiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":""},"Indication":"Dimethylthiambutene is an opioid analgesic previously used in moderate pain relief.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01445","Name":"Bufotenine","DrugType":"small molecule","HalfLife":"","Description":"A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic.","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"","Toxicity":"Ingestion of Bufo toad venom and eggs by humans has resulted in several reported cases of poisoning, some of which resulted in death. The acute toxicity of bufotenin in rodents has been calculated to have an LD50 of between 200 and 300 mg/kg, which by comparison, is comparable to the LD50 for intravenous morphine (200-300 mg/kg) in mice. Death occurs by respiratory arrest.","MechanismOfAction":"","Pharmacodynamics":"Bufotenin is a tryptamine related to the neurotransmitter serotonin.","Absorption":"Rapidly absorbed following intravenous administration.","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01446","Name":"Alpha-methyltryptamine","DrugType":"small molecule","HalfLife":"","Description":"A stimulant and psychoactive drug which produces effects similar to 3,4-methylenedioxy-N-methylamphetamine (MDMA), despite being structurally dissimilar. \r\nIt was developed in the 1960's by Upjohn with the intention for use as an antidepressant. In the 1990's, alpha-methyltryptamine became regulated as a Schedule I controlled substance in the United states. \r\n\r\n ","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"Long lasting serotonin neuro-toxicity at high doses is potentially possible, and is seen with a close analogue of alpha-methyltryptmaine: alpha-ethyltryptamine. ","MechanismOfAction":"","Pharmacodynamics":"With 20-30 milligrams, euphoria, empathy and psychedelic effects are noticeable. Side effects reported have included anxiety, restlessness, tachycardia, muscle tension, jaw tightness, headache, nausea, vomiting, and pupil dilation. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01447","Name":"4-Methylaminorex","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01448","Name":"19-Nor-4-androstenedione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01450","Name":"Dihydroetorphine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01451","Name":"1-Androstenedione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01452","Name":"Heroin","DrugType":"small molecule","HalfLife":"\u003c10 minutes","Description":"A narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the U.S. Code of Federal Regulations, Title 21 Parts 329.1, 1308.11 (1987). Sale is forbidden in the United States by Federal statute. (Merck Index, 11th ed) Internationally, heroin is controlled under Schedules I and IV of the Single Convention on Narcotic Drugs. It is illegal to manufacture, possess, or sell heroin in the United States and the UK. However, under the name diamorphine, heroin is a legal prescription drug in the United Kingdom.","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"Used in the treatment of acute pain, myocardial infarction, acute pulmonary oedema, and chronic pain.","Toxicity":"","MechanismOfAction":"Heroin is a mu-opioid agonist. It acts on endogenous mu-opioid receptors that are spread in discrete packets throughout the brain, spinal cord and gut in almost all mammals. Heroin, along with other opioids, are agonists to four endogenous neurotransmitters. They are beta-endorphin, dynorphin, leu-enkephalin, and met-enkephalin. The body responds to heroin in the brain by reducing (and sometimes stopping) production of the endogenous opioids when heroin is present. Endorphins are regularly released in the brain and nerves, attenuating pain. Their other functions are still obscure, but are probably related to the effects produced by heroin besides analgesia (antitussin, anti-diarrheal). ","Pharmacodynamics":"The onset of heroin's effects is dependent on the method of administration. Taken orally, heroin is totally metabolized in vivo into morphine before crossing the blood-brain barrier; so the effects are the same as oral morphine. Take by injection, heroin crosses into the brain. Once in the brain, heroin is rapidly metabolized into morphine by removal of the acetyl groups, therefore, it is known as a prodrug. It is the morphine molecule that then binds with opioid receptors and produces the subjective effects of the heroin high.","Absorption":"Bioavailability is less than 35%.","Interactions":[{"ID":"DB06274"},{"ID":"DB00501"}],"Salts":[{"ID":"DBSALT000095","Name":"Heroin hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00623","Drugs":["DB00295","DB01452","DB03166"]},{"ID":"SMP00407","Drugs":["DB00295","DB00368","DB00988","DB01345","DB01373","DB01452","DB03166"]}]},{"ID":"DB01453","Name":"Beta-hydroxyfentanyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fentanyls. These are compounds containing the fentanyl moiety or a derivative, which is based on a N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide skeleton.","DirectParent":"Fentanyls","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Fentanyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01454","Name":"3,4-Methylenedioxymethamphetamine","DrugType":"small molecule","HalfLife":"6–10 (though duration of effects is typically actually 3–5 hours)","Description":"An N-substituted amphetamine analog. It is a widely abused drug classified as a hallucinogen and causes marked, long-lasting changes in brain serotonergic systems. It is commonly referred to as MDMA or ecstasy. [PubChem] ","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Clinical trials are now testing the therapeutic potential of MDMA for post-traumatic stress disorder (PTSD) and anxiety associated with terminal cancer. MDMA is one of the four most widely used illicit drugs in the U.S.","Toxicity":"","MechanismOfAction":"It enters neurons via carriage by the monoamine transporters. Once inside, MDMA inhibits the vesicular monoamine transporter, which results in increased concentrations of serotonin, norepinephrine, and dopamine into the cytoplasm, and induces their release by reversing their respective transporters through a process known as phosphorylation. It also acts as a weak 5-HT1 and 5-HT2 receptor agonist.\r\nMDMA's unusual entactogenic effects have been hypothesized to be, at least partly, the result of indirect oxytocin secretion via activation of the serotonin system. Oxytocin is a hormone released following events like hugging, orgasm, and childbirth, and is thought to facilitate bonding and the establishment of trust. Based on studies in rats, MDMA is believed to cause the release of oxytocin, at least in part, by both directly and indirectly agonizing the serotonin 5-HT1A receptor.","Pharmacodynamics":"MDMA acts as a releasing agent of serotonin, norepinephrine, and dopamine.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01455","Name":"19-Nor-5-androstenediol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01456","Name":"5-androstenedione","DrugType":"small molecule","HalfLife":"","Description":"5-androstenedione is a prohormone of testosterone. In the United States, the Controlled Substance Act is inclusive to anabolic steroids and their precursors. Thus 5-androstenedione is a controlled substance. The World Anti-Doping Agency also prohibits use of 5-androstenedione in athletes. \r\n \r\n5-androstenedione is structurally similar to 4-androstenedione, with the exception of the positioning of a carbon-carbon double bond. 4-Androstenedione is a prohormone which is naturally produced in the body by the adrenal glands and gonads, and acts as precursor to testosterone, as well as estrone and estradiol. [Wikipedia] ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01458","Name":"2,5-Dimethoxy-4-(n)-propylthiophenethylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01459","Name":"Bezitramide","DrugType":"small molecule","HalfLife":"11-24h. [1] ","Description":"Bezitramide is a narcotic analgesic which was discovered in 1961, clinically tested around the 1970's [1], and marketed under the name Burgodin(R). After cases of fatal overdose in the Netherlands in 2004 the drug was withdrawn from the market. \r\n\r\nIn the United States Bezitramide was never been approved for clinical use. It is presently an illegal substance classified under Schedule II of the Controlled Substances Act. [wiki]","Classification":{"Description":"This compound belongs to the diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moeity, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.","DirectParent":"Diphenylacetonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylacetonitriles"},"Indication":"A narcotic analgesic once used for the treatment of severe chronic pain. [1] ","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Bezitramide acts in the body to relieve pain with a potency 20 times that of methadone [1]. Its duration of action is relatively long, lasting up to 12 hours post oral administration, after the achievement of steady state. Its onset of action is slow, with a peak in analgesic effect noted between 2.5-3.5 hours after dosing. \r\n\r\nIt is noted to illicit a strong antitussive effect, which could be of benefit to patients with bronchial carcinoma. \r\n\r\n\r\n ","Absorption":"Bezitramide has poor water solubility, thus administration is restricted to the oral route. [1]","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB01460","Name":"Diethyltryptamine","DrugType":"small molecule","HalfLife":"","Description":"Diethyltryptamine (DET) is an orally active hallucinogenic drug and psychedelic compound of moderate duration. DET is a substituted tryptamine, structurally similar to DMT and dipropyltryptamine (DPT). [Wikipedia]","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01461","Name":"Dimenoxadol","DrugType":"small molecule","HalfLife":"","Description":"Dimenoxadol is an opioid analgesic which produces typical opioid effects such as analgesia and sedation. It is structurally similar to methadone and is a benzilic acid derivative. In the United States it is classified as a Schedule I controlled drug. ","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01462","Name":"Etonitazene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01463","Name":"Fencamfamine","DrugType":"small molecule","HalfLife":"","Description":"Fencamfamine (Glucoenergan, Reactivan) is a stimulant which was developed in the 1960s as an appetite suppressant, but was later withdrawn for this application due to problems with dependence and abuse. It is around half the potency of dexamphetamine, and is prescribed at a dose of 10-60mg, although abusers of the drug tend to rapidly develop tolerance and escalate their dose. Reactivan is still rarely used for treating depressive day-time fatigue, lack of concentration and lethargy, particularly in individuals who have chronic medical conditions, as its favourable safety profile makes it the most suitable drug in some cases. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the the treatment of depressive fatigue in convalescence and other debilitated states as well as in the treatment of depressive day-time fatigue, lack of concentration and lethargy.","Toxicity":"Overdosage is characterised by nausea, agitation and restlessness, dryness of the mouth, dizziness and tremor. In gross overdosage the above symptoms may also be associated with dyspnoea, tachycardia, disorientation and convulsions.","MechanismOfAction":"Fencamfamine acts as an indirect dopamine agonist. It releases dopamine by a similar mechanism to amphetamines, but is 10x less potent than dexamphetamine at producing this effect. The drug seems to inhibit the dopamine transporter (DAT) that removes dopamine from the synapses. This inhibition of DAT blocks the reuptake of dopamine and norepinephrine into the presynaptic neuron, increasing the amount of dopamine in the synapse. It also stimulates the release of dopamine and norepinephrine into the synapse. Finally, it increases the magnitude of dopamine release after a stimulus, increasing the salience of stimulus. Also unlike amphetamines, fencamfamine does not inhibit the action of monoamine oxidase enzymes and so is somewhat safer. Some experiments also suggest a role for opioid receptors in the activity of fencamfamine, as low doses can cause paradoxical sedation, and some effects of the drug are blocked by naloxone.","Pharmacodynamics":"Fencamfamine increases drive and mental alertness and an elevation of mood and a general feeling of well-being. It is a central nervous system stimulant, which increases locomotor activity.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000814","Name":"Fencamfamine hydrochloride"}],"Groups":{"approved":true,"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB01464","Name":"Furethidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01465","Name":"2,5-Dimethoxyamphetamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01466","Name":"Ethylmorphine","DrugType":"small molecule","HalfLife":"","Description":"A narcotic analgesic and antitussive. It is metabolized in the liver by ethylmorphine-N-demethylase and used as an indicator of liver function. It is not marketed in the US but is approved for use in various countries around the world. In the US it is a schedule II drug (single-entity) and schedule III drug (in combination products).","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"Ethylmorphine is an analgesic used for pain relief.","Toxicity":"","MechanismOfAction":"Ethylmorphine is metabolized by the liver enzyme cytochrome P450 2D6 to morphine. The precise mechanism of the analgesic action of morphine is unknown. However, specific CNS opiate receptors have been identified and likely play a role in the expression of analgesic effects. Morphine first acts on the mu-opioid receptors. The mechanism of respiratory depression involves a reduction in the responsiveness of the brain stem respiratory centers to increases in carbon dioxide tension and to electrical stimulation.\r\nIt has been shown that morphine binds to and inhibits GABA inhibitory interneurons. These interneurons normally inhibit the descending pain inhibition pathway. So, without the inhibitory signals, pain modulation can proceed downstream.","Pharmacodynamics":"Ethylmorphine is metabolized by the enzyme cytochrome P450 2D6 to morphine. Morphine is a narcotic pain management agent indicated for the relief of pain in patients who require opioid analgesics for more than a few days. Morphine interacts predominantly with the opioid mu-receptor. These mu-binding sites are discretely distributed in the human brain, with high densities in the posterior amygdala, hypothalamus, thalamus, nucleus caudatus, putamen, and certain cortical areas. They are also found on the terminal axons of primary afferents within laminae I and II (substantia gelatinosa) of the spinal cord and in the spinal nucleus of the trigeminal nerve. In clinical settings, morphine exerts its principal pharmacological effect on the central nervous system and gastrointestinal tract. Its primary actions of therapeutic value are analgesia and sedation. Morphine appears to increase the patient's tolerance for pain and to decrease discomfort, although the presence of the pain itself may still be recognized. In addition to analgesia, alterations in mood, euphoria and dysphoria, and drowsiness commonly occur. Opioids also produce respiratory depression by direct action on brain stem respiratory centers.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":[{"ID":"SMP00681","Drugs":["DB00368","DB00988","DB01345","DB01373","DB01466"]}]},{"ID":"DB01467","Name":"2,5-Dimethoxy-4-ethylamphetamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01468","Name":"Ethylmethylthiambutene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophenes. These are compounds containing a five-member aromatic compound made up of one sulfur atom and four carbon atoms.","DirectParent":"Thiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01469","Name":"Acetorphine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01470","Name":"Alpha-methylthiofentanyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01471","Name":"Bolasterone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01472","Name":"4-Methoxyamphetamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"4-Methoxyamphetamine is a seratogenic drug of the amphetamine class. The drug acts as a potent and selective serotonin releasing agent. It binds to alpha receptors to mediate these effects.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01473","Name":"Betaprodine","DrugType":"small molecule","HalfLife":"","Description":"An opioid analgesic chemically related to and with an action resembling that of meperidine, but more rapid in onset and of shorter duration. It has been used in obstetrics, as pre-operative medication, for minor surgical procedures, and for dental procedures. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1067)","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01474","Name":"17Alpha-methyl-3beta,17beta-dihydroxyandrost-4-ene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01475","Name":"Dioxaphetyl butyrate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01476","Name":"Haloxazolam","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01477","Name":"Codeine methylbromide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01478","Name":"desmethylprodine","DrugType":"small molecule","HalfLife":"","Description":"Desmethylprodine, a derivative of meperidine, is an opioid analgesic with the potency of morphine. \r\nIt has been listed as a Schedule I controlled drug in the United States, and thus is not used clinically. It is known to be a designer drug, synthesized in 1977, for the purpose of recreational use. Illicit manufacturing has occurred. ","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"A toxic impurity which may be encountered in desmethylprodine synthesis, MPTP, is implicated in the destruction of brain tissue in the substantia nigra, and has lead to permanent Parkinsonian symptoms. [1]","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01479","Name":"17Alpha-methyl-3alpha,17beta-dihydroxy-5alpha-androstane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01480","Name":"Cyprenorphine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01481","Name":"Delta1-dihydrotestosterone","DrugType":"small molecule","HalfLife":"","Description":"Delta1-dihydrotestosterone is an anabolic steroid that differs from testosterone by having a 1,2-double bond instead of 4,5-double bond in its A ring. [Wikipedia]","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"Delta1-dihydrotestosterone binds to the androgen receptor, a nuclear receptor which binds the androgenic hormones testosterone and dihydrotestosterone. Once bound, the receptor/ligand complex localizes to the nucleus and acts as a DNA binding transcription factor, regulating gene expression. ","Pharmacodynamics":"Delta1-dihydrotestosterone binds to the androgen receptor, a nuclear receptor which binds the androgenic hormones testosterone and dihydrotestosterone. Once bound, the receptor/ligand complex localizes to the nucleus and acts as a DNA binding transcription factor, regulating gene expression. In animals, Delta1-dihydrotestosterone stimulates the growth of the prostate as well as the seminal vesicles. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01482","Name":"Fenethylline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01483","Name":"Barbital","DrugType":"small molecule","HalfLife":"","Description":"A long-acting barbiturate that depresses most metabolic processes at high doses. It is used as a hypnotic and sedative and may induce dependence. Barbital is also used in veterinary practice for central nervous system depression. [PubChem]","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB06212"},{"ID":"DB08867"}],"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01484","Name":"4-Bromo-2,5-dimethoxyamphetamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01485","Name":"4-Hydroxytestosterone","DrugType":"small molecule","HalfLife":"\r\n\r\n","Description":"4-Hydroxytestosterone is testosterone substituted with a hydroxy group on the fourth carbon atom. It is an anabolic steroid with no therapeutic indications, which is prohibited from use in sports by the World Anti-Doping Agency. [1]\r\n\r\nFormestane (Lentaron) acts as a prohormone of 4-Hydroxytestosterone, as 4-Hydroxytestosterone is one of the many byproducts of formestane metabolism. It is specifically the 17-hydroxylated analog to formestane. [1] Like formestane, 4-hydroxytesterone has been patented for use in decreasing estrogen production in the body, but no such indication currently exists. 4-Hydroxytestosterone was first patented in 1955 by G.D Searle \u0026 Company. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"Excessive doses of anabolic steroids can induce harmful changes in cholesterol, acne, hypertension, liver damage, and damage to the heart. Hormonal imbalances caused by the use of anabolic steriods may result in gynecomastia and testicular atrophy.\r\n\r\nAnabolic steroids are known to increase harmful LDL, while decreasing beneficial HDL cholesterol. Their ability to stimulate sebaceous glands may increase acne. Additionally, the elevation in blood pressure caused by anabolic steroids, is particularly pronounced and harmful in those with pre-existing hypertension. ","MechanismOfAction":"4-hydroxytestosterone is a fat soluble compound which can cross the lipid bilayers of cell membranes to enter the cytoplasm of cells. In the cytoplasm, 4-hydroxytestosterone can bind to an androgen receptor, which then gets transported to the nucleus of the cell to alter protein transcription and translation. \r\n\r\nAnanolic steroids are believed to increase muscle mass by increasing the production of proteins, as well as by reducing the effects of the stress hormone cortisol, which is known to promote muscle breakdown. It is postulated that other steroid hormones (glucocorticoids) may also be inhibited by anabolic steroids in order to prevent muscle catabolism. [wiki] ","Pharmacodynamics":"Aanabolic steroids have a similar effect to testosterone in the body. Effects include an increase in protein production within cells, (ie. skeletal muscle cells) and well as the development and maintenance of masculine characteristics. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01486","Name":"Cathine","DrugType":"small molecule","HalfLife":"5.2 +/- 3.4 hours","Description":"Cathine (β-hydroxyamphetamine) is a monoamine alkaloid found in the shrub Catha edulis (khat). Cathine is a Schedule III drug under the Convention on Psychotropic Substances. In the United States, it is classified as a Schedule IV controlled substance. [Wikipedia]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Used to decrease appetite.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Closely related to ephedrine, cathinone and other amphetamines, it may contribute to the stimulant effect of \u003ci\u003eCatha edulis\u003c/i\u003e, although another constituent, cathinone appears to show stronger activity.","Absorption":"The mucosa of the oral cavity is considered to be the first absorption segment, where the major proportion of the alkaloids is absorbed (mean +/- SD: 84 +/- 6% for cathine). [PMID: 12848785]","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01487","Name":"Embutramide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01488","Name":"Dimethyltryptamine","DrugType":"small molecule","HalfLife":"","Description":"An N-methylated indoleamine derivative, a serotonergic hallucinogen found in several plants, especially Prestonia amazonica (Apocynaceae) and in mammalian brain, blood, and urine. It apparently acts as an agonist at some types of serotonin receptors and an antagonist at others. [PubChem]","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"Some people use this compound as a psychedelic inducing agent.","Toxicity":"","MechanismOfAction":"DMT acts as a non-selective agonist at most or all of the serotonin receptors.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01489","Name":"Camazepam","DrugType":"small molecule","HalfLife":"","Description":"Camazepam is a benzodiazepine which is a dimethyl carbamate ester of tamzepam, a metabolite of diazepam. Similarly to other drugs in its class, it has antxiolytic, anticonvulsant, hypnotic, and skeletal muscle relaxant properties. However, unlike other benzodiapeines camazepam is predominantly anxiolytic and is relatively weak as an anticonvulsant, hypnotic and skeletal muscle relaxant. [Wikipedia] \r\n\r\nCamazepam also has less side effects, such as impaired cognition and reaction times, compared to other benzodiazepines. However, impairment of cognition and disrupted sleep patterns will occur at doses higher than 40mg of carazepam. [Wikipedia] Camazepam is also believed to increase attention, and is associated with skin disorders. \r\n\r\nIn the United States camazepam is regulated as a Schedule IV controlled substance.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Camazepam has been used in placebo controlled studies for the treatment of patients suffering from anxiety and depression. ","Toxicity":"","MechanismOfAction":"Camazepam has been shown to bind competitively to benzodiazepine receptors in the brain with a relatively low affinity in animal models. This binding of benzodiazepine receptors by camazepam and its active metabolites is responsible for its anticonvulsant effects. Notably, only three metabolites were shown to exert anticonvulsant activity, temazepam, oxazepam, and hydroxy camazepam. \r\n\r\nThe anxiolytic properties of camazepam are also attributed to their ability to bind benzodiazepine receptors, also known as GABA receptors. When benzodiazepines bind to GABA receptors they increase the efficiency with which the inhibitory neurotransmitter GABA binds. ","Pharmacodynamics":"","Absorption":"Almost completely absorbed into the bloodstream after oral administration. 90% bioavailability can be achieved in humans. ","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01490","Name":"Aminorex","DrugType":"small molecule","HalfLife":"","Description":"An amphetamine-like anorectic agent. It may cause pulmonary hypertension. [PubChem]","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01491","Name":"Dipipanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB06274"}],"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01493","Name":"Ethylestrenol","DrugType":"small molecule","HalfLife":"","Description":"An anabolic steroid with some progestational activity and little androgenic effect. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB01494","Name":"Chloral betaine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB01495","Name":"Dichloralphenazone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01496","Name":"Barbituric acid derivative","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiobarbituric acid derivatives. These are organic compounds containing a 2-thioxodihydropyrimidine-4,6(1H,5H)-dione skeleton.","DirectParent":"Thiobarbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01497","Name":"Etorphine","DrugType":"small molecule","HalfLife":"","Description":"A narcotic analgesic morphinan used as a sedative in veterinary practice. In Hong Kong, Etorphine is regulated under Schedule 1 of Hong Kong's Chapter 134 Dangerous Drugs Ordinance. It can only be used legally by health professionals and for university research purposes. The substance can be given by pharmacists under a prescription. In the US, Etorphine is listed as a Schedule I drug, although Etorphine hydrochloride is classified as Schedule II.","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"Etorphine is an agonist at mu, delta, and kappa opioid receptors. It also has a weak affinity for the ORL1 nociceptin/orphanin FQ receptor.","Pharmacodynamics":"Etorphine is a synthetic cousin of morphine and 40,000 times more powerful. It can be produced from thebaine. It is most often used to immobilize elephants and other large mammals. Etorphine is only available legally for veterinary use and is strictly governed by law.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000825","Name":"Etorphine Hydrochloride"}],"Groups":{"illicit":true},"Pathways":null},{"ID":"DB01498","Name":"Alphamethadol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01499","Name":"Alphameprodine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01500","Name":"4-Hydroxy-19-nortestosterone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01501","Name":"Difenoxin","DrugType":"small molecule","HalfLife":"The elimination half life was calculated to be 7.24 hours. The appearance half life was calculated to be 0.82h. [3] ","Description":"Difenoxin is a 4-phenylpiperidine which is closely related to the opioid analgesic meperidine. Difenoxin alone is a USA Schedule I controlled drug, as it may be habit forming. However, it is listed as a Schedule IV controlled drug if combined with atropine, which is added to decrease deliberate misuse. Motofen(R) is a brand mixture which combines atropine sulfate and difenoxin hydrochloride. It is approved by the FDA to treat acute and chronic diarrhea. \r\n \r\nDifenoxin is an active metabolite of the anti-diarrheal drug, diphenoxylate, which is also used in combination with atropine in the brand mixture Lomotil(R). It works mostly in the periphery and activates opioid receptors in the intestine rather than the central nervous system (CNS). [3] Difenoxin is also closely related to loperamide, but unlike loperamide it is still capable of crossing the blood brain barrier to produce weak sedative and analgesic effects. However, the antidiarrheal potency of difenoxin is much greater than its CNS effects, which makes it an attractive alternative to other opioids. \r\n","Classification":{"Description":"This compound belongs to the diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moeity, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.","DirectParent":"Diphenylacetonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylacetonitriles"},"Indication":"Motofen(R) is a combination of atropine, an anticholinergic drug, and difenoxin, an antidiarrheal drug. It has been used in many countries for many years as a second line opioid-agonist antidiarrheal, which exists an intermediate between loperamide and paragoric. [2]\r\n\r\nDiarrhea which is a result of cyclic or diarrhea predominant Inflammatory Bowel Syndrome may not be treated effectively with difenoxin, diphenoxylate, or loperamide. As such, diarrhea and cramping which does not respond to non-centrally acting derivatives or belladonna derivatives such as atropine are often treated with conservative doses of codeine. In patients with acute ulcerative colitis, as induction of toxic megacolon is possible, and thus use of Motofen(R) is cautioned. \r\n\r\nMotofen(R) has been assigned pregnancy category C by the FDA, and is to be used only when the potential benefits outweigh the potential risk to the fetus. The safety of use during lactation is unknown and thus not recommended. ","Toxicity":"","MechanismOfAction":"Difenoxin acts as an antidiarrheal by activating peripheral opioid receptors in the small intestine and thereby inhibiting peristalsis. However, research has suggested that non-opioid receptor pathways exist. This would explain the potent antidiarrheal effects of difenoxin despite only limited opioid action [1]. ","Pharmacodynamics":"Difenoxin acts as a potent antidiarrheal by slowing the movement of the intestines. It also crosses the blood brain barrier to a slight degree to exert weak sedative and analgesic effects. \r\n\r\nAdverse reactions thus include dizziness, drowsiness, lightheadedness and headache, in addition to gastrointestal side effects such as nausea, vomiting, dry mouth and epigastric distress. [Lexicomp, 2013] ","Absorption":"A high percentage of Motofen(R) is absorbed, and absorption occurs rapidly.\r\nPeak plasma concentrations are achieved within 40-60 minutes. [Lexicomp, 2013] ","Interactions":[{"ID":"DB06274"}],"Salts":[{"ID":"DBSALT000047","Name":"Difenoxin hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01502","Name":"Diampromide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01503","Name":"1-Androstenediol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01505","Name":"Etoxeridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01506","Name":"1-Phenylcyclohexylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01509","Name":"3,4-Methylenedioxyamphetamine","DrugType":"small molecule","HalfLife":"","Description":"An amphetamine derivative that inhibits uptake of catecholamine neurotransmitters. It is a hallucinogen. It is less toxic than its methylated derivative but in sufficient doses may still destroy serotonergic neurons and has been used for that purpose experimentally. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01510","Name":"Dehydrochloromethyltestosterone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01511","Name":"Delorazepam","DrugType":"small molecule","HalfLife":"Very long elimination half life of 80-115 hours, varying with age. Elimination is slower as age increases. [1] Liver disease also impacts elimination half life, with impairment resulting in half lives up to 395 hours. [2] ","Description":"Delorazepam is a benzodiazepine which, like other drugs in its class, possesses anxiolytic, skeletal muscle relaxant, hypnotic and anticonvulsant properties. It may have adverse effects such as drowsiness, and cognitive impairments such as short term memory impairment. [4] \r\n\r\nDelorazepam is an active metabolite of the benzodiazepine known as cloxazolam. It is a long acting benzodiazepine which makes it superior in this sense to lorazepam which is short acting. Lorazepam is also a major active metabolite of delorazepam. \r\n\r\nIn addition to be long acting, delorazepam is relatively potent, with 1 mg of delorazepam being the equivalent of 10 mg diazepam. [Wikipedia] It has been approved for marketing in Italy. ","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Mainly used as an anti-anxiety agent. Studies have found delorazepam to be more effective in the first 4 weeks of use than antidepressants; however, after 4 weeks, antidepressants showed superior anti-anxiety effects. [Wikipedia] Anti-anxiety effects also appear to be weaker in elderly patients. [1]\r\n\r\nEffectiveness has also been observed in the treatment of alcohol withdrawal. Delorazapam was reported to be a manageable drug in that it did not exhibit severe side effects and did not require further therapies to control symptoms of withdrawal. [3]","Toxicity":"Older patients metabolize delorazepam slower than younger patients and thus suffer from more adverse effects. [1] ","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"77-87% oral bioavailability, with a relatively slow absorption rate. [5] Reaches peak plasma levels within 1-2 hours of administration. Food may slow absorption, however other pharmacokinetic variables remain unchanged. After multiple doses delorazepam accumulates, however accumulation is slower in younger patients.[1]","Interactions":null,"Salts":null,"Groups":{"approved":true,"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01512","Name":"Hydromorphinol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01513","Name":"17Alpha-methyl-3beta,17beta-dihydroxy-5alpha-androstane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01514","Name":"Furazabol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"illicit":true},"Pathways":null},{"ID":"DB01515","Name":"Benzoylecgonine","DrugType":"small molecule","HalfLife":"","Description":"Benzoylecgonine is the major metabolite of cocaine. It is formed by hydrolysis of cocaine in the liver, catalysed by carboxylesterases. It is excreted in the urine of cocaine users after processing in the liver. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01516","Name":"3,4,5-Trimethoxyamphetamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01518","Name":"Benzethidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01520","Name":"Tenocyclidine","DrugType":"small molecule","HalfLife":"","Description":"Tenocyclidine (TCP, thienyl cyclohexylpiperidine) is a dissociative anesthetic drug with stimulant and hallucinogenic effects. It is similar in effects to phencyclidine but is considerably more potent. Due to its similarity in effects to PCP, TCP was placed into the Schedule I list of illegal drugs in the 1970s, although it was only briefly abused in the 1970s and 1980s and is now little known. [Wikipedia]","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"Because of its high affinity for the phencyclidine binding site on the NMDA receptor, the 3H radiolabelled form of tenocyclidine is widely used in research into NMDA receptors.","Toxicity":"","MechanismOfAction":"The primary interactions are as a non-competitive antagonist at the 3A-subunit of the NMDAR in Homo sapiens. TCP is known to bind, with relatively high affinity, to the D1 subunit of the human DAT, in addition to displaying a positive antagonistic effect at the α7-subunit of the Nicotinic Acetylcholine Receptor (nAChR). It also binds to the mu-opioid receptor, which seems to be a central part of the mechanism of action of drugs in this class. (For example, Dizocilpine [MK-801] shows little appreciable analgesic effect despite having a high specificity for the NMDA-3A and NMDA-3B subunits - this may well be mediated by the lack of related efficacy at the mu-opioid receptor, though the NMDAR certainly does play a role in transmission of pain signals).","Pharmacodynamics":"Tenocyclidine (TCP) has slightly different binding properties to phencyclidine (PCP), with more affinity for NMDA receptors but less affinity for sigma receptors.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01521","Name":"Clostebol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01522","Name":"Betacetylmethadol","DrugType":"small molecule","HalfLife":"","Description":"A narcotic analgesic with a long onset and duration of action. It is used mainly in the treatment of narcotic dependence. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01523","Name":"Clonitazene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01524","Name":"5-Androstenediol","DrugType":"small molecule","HalfLife":"","Description":"An intermediate in testosterone biosynthesis, found in the testis or the adrenal glands. Androstenediol, derived from dehydroepiandrosterone by the reduction of the 17-keto group (17-hydroxysteroid dehydrogenases), is converted to testosterone by the oxidation of the 3-beta hydroxyl group to a 3-keto group (3-hydroxysteroid dehydrogenases). [PubChem]","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01525","Name":"Ecgonine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tropanes. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.","DirectParent":"Tropanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tropanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01526","Name":"4-Androstenediol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01527","Name":"Clortermine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01528","Name":"4-Methyl-2,5-dimethoxyamphetamine","DrugType":"small molecule","HalfLife":"","Description":"A psychedelic phenyl isopropylamine derivative, commonly called DOM, whose mood-altering effects and mechanism of action may be similar to those of LSD. [PubChem]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01529","Name":"Dextromoramide","DrugType":"small molecule","HalfLife":"","Description":"An opioid analgesic structurally related to methadone and used in the treatment of severe pain. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1070)","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB06274"}],"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01530","Name":"3Alpha,17beta-dihydroxy-5alpha-androstane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01531","Name":"Desomorphine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01532","Name":"Acetyl-alpha-methylfentanyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01533","Name":"Diethylthiambutene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophenes. These are compounds containing a five-member aromatic compound made up of one sulfur atom and four carbon atoms.","DirectParent":"Thiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01534","Name":"Chlorhexadol","DrugType":"small molecule","HalfLife":"","Description":"Chlorhexadol is a sedative and hypnotic which is regulated in the United States as a Schedule III controlled substance. It is a derivative of chloral hydrate.","Classification":{"Description":"This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).","DirectParent":"Tertiary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Tertiary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Chloral hydrate has sedative/hypnotic activity which has been shown to extend the sleep of normal made adults via a dose-response relationship. [1]","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01535","Name":"Carfentanil","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fentanyls. These are compounds containing the fentanyl moiety or a derivative, which is based on a N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide skeleton.","DirectParent":"Fentanyls","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Fentanyls"},"Indication":"Carfentanil is similar (but more potent) to the opioid analgesic fentanyl. It is used as a tranquilizer for large animals.","Toxicity":"","MechanismOfAction":"Carfentanil binds very strongly to mu opioid receptors and acts as a competitive agonist. \r\nOpiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"Carfentanil acts primarily on the mu (some kappa and delta) opioid receptors as an agonist. It will induce similar effects of analgesia as other opioids, however, due to its potency, it will also induce strong side effects such as sedation. Consequently, that is why it is used as a tranquilizer for large animals.\r\n\r\nCarfentanil interacts predominately with the opioid mu-receptor. These mu-binding sites are discretely distributed in the brain, spinal cord, and other tissues. It exerts its principal pharmacologic effects on the central nervous system. Its primary actions of therapeutic value are analgesia and sedation. Carfentanil also depresses the respiratory centers, depresses the cough reflex, and constricts the pupils.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01536","Name":"4-Androstenedione","DrugType":"small molecule","HalfLife":"","Description":"A delta-4 C19 steroid that is produced not only in the testis, but also in the ovary and the adrenal cortex. Depending on the tissue type, androstenedione can serve as a precursor to testosterone as well as estrone and estradiol. [PubChem]","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"4-androstenedione is a 19-carbon steroid hormone produced in the adrenal glands and the gonads as an intermediate step in the biochemical pathway that produces the androgen testosterone and the estrogens estrone and estradiol.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01537","Name":"4-Bromo-2,5-dimethoxyphenethylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01538","Name":"Acetyldihydrocodeine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01539","Name":"1-Piperidinocyclohexanecarbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01540","Name":"17Alpha-methyl-4-hydroxynandrolone","DrugType":"small molecule","HalfLife":"","Description":"17Alpha-methyl-4-hydroxynandrolone is a schedule 3 anabolic steroid.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01541","Name":"Boldenone","DrugType":"small molecule","HalfLife":"14 days","Description":"Boldenone is an anabolic steroid developed for veterinary use, mostly for treatment of horses. It is not indicated for use in humans in the US and is only available through veterinary clinics.","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"Boldenone is a steroid hormone which has androgenic activity. Androgens bind to the androgen receptor, which regulates gene transcription. ","Pharmacodynamics":"The activity of boldenone is mainly anabolic, with a low androgenic potency. The drug is commonly used in doping within bodybuilding, even though this use is illegal. If intended to assist in bodybuilding, the drug is taken as part of a steroid stack of other anabolic steroids, usually with a potent androgen like testosterone as the 'base' of the stack. Boldenone is an androgen that differs from 17b-testosterone (17b-T) by only one double bond at the 1-position, and the removal of the methyl group protecting the 17-OH group allows it to be orally active.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01542","Name":"Allylprodine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01543","Name":"13Beta-ethyl-17beta-hydroxygon-4-en-3-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01544","Name":"Flunitrazepam","DrugType":"small molecule","HalfLife":"18-26 hours","Description":"A benzodiazepine with pharmacologic actions similar to those of diazepam that can cause anterograde amnesia. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug. [PubChem]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For short-term treatment of severe insomnias, that are not responsive to other hypnotics.","Toxicity":"Symptoms of overdose include confusion, coma, impaired coordination, sleepiness, and slowed reaction time.","MechanismOfAction":"Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Pharmacodynamics":"Flunitrazepam is a powerful hypnotic drug that is a benzodiazepine derivative. It has powerful hypnotic, sedative, anxiolytic, and skeletal muscle relaxant properties. The drug is sometimes used as a date rape drug. In the United States, the drug has not been approved by the Food and Drug Administration for medical use, and is considered to be an illegal drug. It has however been approved in the United Kingdom and other countries.","Absorption":"50% (suppository) and 64-77% (oral)","Interactions":[{"ID":"DB00363"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01545","Name":"Ethyl loflazepate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01546","Name":"Alpha-ethyltryptamine","DrugType":"small molecule","HalfLife":"","Description":"In the 1960's, alpha-ethyltryptamine (αET), a non hydrazine reversible monoamine oxidase inhibitor, was developed in the United States by the Upjohn chemical company for use as an antidepressant. αET was an FDA approved antidepressant under the name Monase. However, in 1962, after the discovery of an unacceptable incidence of agranulocytosis, the development of Monase was halted and the drug was withdrawn from potential market use. \r\n\r\nIn 1993, the US Drug Enforcement Administration added αET to Schedule I of its Schedules of Controlled Substances, after an increasing incidence of its use as a recreational drug in the 1980's. Currently, αET is an illegal substance; however, it's activity is still under scientific investigation. \r\n\r\nαET is a stimulant and hallucinogen, but it is less stimulating and hallucinogenic than alpha-methyltryptamine, a closely related compound. Instead, the effects of αET, a tryptamine derivative, more closely resemble the amphetamine derived drug 3,4-methylenedioxy-N-methylamphetamine (MDMA). Similarly to MDMA, αET has been shown to release serotonin pre-synaptically, as well as lesser amounts of norepinephrine and dopamine. Like MDMA, increases in locomotor activity and mood elevation can be seen post administration. ","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"Developed in the 1960's for use as an antidepressant before market withdrawal in 1962. \r\n","Toxicity":"","MechanismOfAction":"The mechanism of action responsible for its antidepressant activity was believed to lie in its ability to inhibit monoamine oxidase, while its stimulant activity on the central nervous system appeared to result from its structural similarity to indole-based psychedelics. [5] \r\n \r\nResearch discovered αET to be both a monoamine oxidase inhibitor and a potent monoamine releasing agent capable of serotonergic neurotoxicity. [3]\r\n\r\nThe ability to release serotonin was linked to αET's MDMA like properties. [2] αET has been shown to release serotonin pre-synaptically, as well as lesser amounts of norepinephrine and dopamine. ","Pharmacodynamics":"αET is a stimulant and psychedelic with MDMA like physiological effects. Like MDMA, increases in locomotor activity and mood elevation can be seen post administration. [2]","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000188","Name":"Alpha-ethyltryptamine acetate"}],"Groups":{"illicit":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB01547","Name":"Drotebanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01548","Name":"Diprenorphine","DrugType":"small molecule","HalfLife":"","Description":"A narcotic antagonist similar in action to naloxone. It is used to remobilize animals after etorphine neuroleptanalgesia and is considered a specific antagonist to etorphine. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"Diprenorphine is used to reverse the effects of the super-potent opioid analgesics such as etorphine and carfentanil that are used for tranquilizing large animals in veterinary medicine. Not used in humans.","Toxicity":"","MechanismOfAction":"Diprenorphine binds approximately equally to the three subtypes of opioid receptorsand antagonizes them.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01549","Name":"Rolicyclidine","DrugType":"small molecule","HalfLife":"","Description":"Rolicyclidine (PCPy) is a dissociative anesthetic drug with hallucinogenic and sedative effects. Due to its similarity in effects to PCP, PCPy was placed into the Schedule I list of illegal drugs in the 1970s, although it has never been widely abused and is now little known.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"Rolicyclidine has anesthetic properties and can induce a sedative effect. ","Toxicity":"","MechanismOfAction":"Rolicyclidine works primarily as an NMDA receptor antagonist, which blocks the activity of the NMDA Receptor.","Pharmacodynamics":"Rolicyclidine is similar in effects to phencyclidine but is slightly less potent and has less stimulant effects. Instead it acts by inducing a sedative effect described as being somewhat similar to a barbiturate, but with additional PCP-like dissociative, anaesthetic and hallucinogenic effects.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01550","Name":"Fenproporex","DrugType":"small molecule","HalfLife":"","Description":"Fenproporex is an orally active stimulant drug, which was developed in the 1960s. It is used as an appetite suppressant and a treatment for obesity. However, due to an addictive potential, it is listed as an illicit substance in many countries. Structurally, fenproporex (N-2-cyanoethylamphetamine) falls within the phenylethamine and amphetamine chemical class of drugs. The N-2-cyanoethyl substituent was once believed to be resistant to cleavage, because fenproporex -- once recommended as an obesity treatment for patients with cardiovascular disease -- was originally claimed to lack stimulant properties. Contrary to the claim, research has demonstrated easy in vivo cleavage of the N-2-cyanothyl substituent to yield amphetamine as a metabolite. [5] However, in clinical practice, central nervous system stimulative effects are less notorious than with some other agents such as diethylpropion and mazindol. [7]\r\n\r\nIn the United States fenproporex was never approved by the FDA for clinical use due to a lack of efficacy and safety data, and is listed as a drug in Schedule IV of the Controlled Substances Act. In 2006 and 2009, the FDA issued warnings that it had been detected in diet pills sold online, and imported from foreign manufacturers. It is also listed as a prohibited substance by the World Anti-Doping Agency. [Wikipedia]\r\n\r\nDespite being banned in the United States, fenproporex has been described as the second most commonly consumed appetite suppressant worldwide, [6] with fenproporex containing anorectics still being commonly prescribed in South America. Little is known about the specific hazards of amphetamine based diet pills, however case reports have noted side effects such as chest pain, palpitations, headaches, and insomnia. In addition, placebo controlled studies have shown that participants using fenproporex experience more joint pain, sweating, blurred vision and tremor. [2] ","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Fenproporex is used as an appetite suppressant, and anti-obesity agent [2]; however, due to substance abuse potential, it is an illicit substance in many countries. In some countries, such as Brazil, it is still prescribed -- often in the form of diet pills (ie. Brazilian Diet Pills) which combine amphetamines, benzodiazepines, antidepressants, diuretics and laxatives. \r\n\r\nIn the United States the sale of such diet pills has been banned due to concerns over side effects, and the risk of potentially fatal overdose.\r\nHowever, internet sales and illicit markets has lead to international availability. It has been found by primary care physicians that Brazilian immigrant women utilized imported diet pills at particularly high rates, and sometimes suffered from side effects requiring hospitalization or experienced a loss of employment. [3]","Toxicity":"","MechanismOfAction":"Fenproporex is an amphetamine based anorectic which is rapidly metabolized into amphetamine in the body. Both acute and chronic fenproporex administration has been shown to increase brain energy metabolism in young rats, by increasing the activity of citrate synthase, malate dehydrogenase, succinate dehydrogenase, creatine kinase and complexes I,II, III, and IV. [8]\r\n\r\nAmphetamine based drugs are also known to reduce food intake. They are addictive substances due to their ability to increase dopamine release, however their anorectic effects are believed to be a result of noradrenergic neurotransmission. Activation of the alpha 1 and beta 2 adrenoceptors has been shown to decrease food intake, and drugs which release norepinephrine or block norepinephrine reuptake can activate these receptors. [3] \r\n\r\nThe alpha 1 and beta 2 adrenoceptors are noted to be clinically important receptors in weight regulation. [3]","Pharmacodynamics":"Fenproporex was first claimed to not exert a stimulant effect on the body, however research into its metabolism has shown that it is converted into a considerable amount of amphetamine in the body, which leads to stimulant effects. [9]","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB01551","Name":"Dihydrocodeine","DrugType":"small molecule","HalfLife":"4h","Description":"Dihydrocodeine is an opioid analgesic used as an alternative or adjunct to codeine to treat moderate to severe pain, severe dyspnea, and cough. \r\n\r\nIt is semi-synthetic, and was developed in Germany in 1908 during an international search to find a more effective antitussive agent to help reduce the spread of airborne infectious diseases such as tuburculosis. It was marketed in 1911. [Wikipedia] ","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"Dihydrocodeine is used for the treatment of moderate to severe pain, including post-operative and dental pain [2]. It can also be used to treat chronic pain [1], breathlessness and coughing. \r\n\r\nIn heroin addicts, dihydrocodeine has been used as a substitute drug, in doses up to 2500mg/day to treat addiction. [http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2014322/]\r\n ","Toxicity":"","MechanismOfAction":"Dihydrocodeine is metabolized to dihydromorphine -- a highly active metabolite with a high affinity for mu opioid receptors. [3]","Pharmacodynamics":"Possible opioid related side effects include, but are not limited to, drowsiness, nausea, headache, dry mouth, constipation, difficulty passing urine, and mild euphoria. ","Absorption":"Bioavailability is low (approximately 20%) if administered orally. This may be due to poor gastrointestinal absorption. It is also likely due to pre-systemic metabolism by the liver and intestinal wall. [2] \r\n\r\nThe AUCs after oral and intravenous administration are similar (3203ug/l/h and 3401ug/l/h, respectively). [2]\r\n\r\n\r\nTime to peak values are 1.6 and 1.8hours for a 30mg and 60mg dose, respectively. The concentrations achieved were 71.8 ug/1 and 146 ug/1, respectively. [2]","Interactions":[{"ID":"DB06274"},{"ID":"DB06767"},{"ID":"DB00182"},{"ID":"DB00972"},{"ID":"DB00477"},{"ID":"DB00363"},{"ID":"DB00035"},{"ID":"DB00450"},{"ID":"DB00999"},{"ID":"DB00557"},{"ID":"DB00653"},{"ID":"DB00765"},{"ID":"DB00104"},{"ID":"DB00038"},{"ID":"DB00715"},{"ID":"DB00082"},{"ID":"DB08883"},{"ID":"DB00413"},{"ID":"DB00908"},{"ID":"DB00268"},{"ID":"DB05271"},{"ID":"DB00202"},{"ID":"DB00427"},{"ID":"DB00425"}],"Salts":[{"ID":"DBSALT000048","Name":"Dihydrocodeine bitartrate"},{"ID":"DBSALT000049","Name":"Dihydrocodeine hydrobromide"},{"ID":"DBSALT000050","Name":"Dihydrocodeine hydrochloride"},{"ID":"DBSALT000051","Name":"Dihydrocodeine hydroiodide"},{"ID":"DBSALT000052","Name":"Dihydrocodeine methyliodide"},{"ID":"DBSALT000053","Name":"Dihydrocodeine phosphate"},{"ID":"DBSALT000054","Name":"Dihydrocodeine sulfate"},{"ID":"DBSALT000055","Name":"Dihydrocodeine tartrate"}],"Groups":{"approved":true,"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01552","Name":"Betameprodine","DrugType":"small molecule","HalfLife":"","Description":"Betameprodine is an opioid analgesic classified by the United States Drug Enforcement Administration under Schedule I of illegal substances. The stereoisomer alphameprodine is similarly classified, and was more widely used. \r\n\r\nBetameprodine is a structural analogue of meperidine. It exerts physiological effects characteristic of opioids, such as analgesia, euphoria and sedation -- as well as itching, nausea, and respiratory depression. ","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01553","Name":"Cloxazolam","DrugType":"small molecule","HalfLife":"65 hours","Description":"Cloxazolam is a benzodiazepine with anxiolytic, sedative/hypnotic, muscle relaxant, and antiepileptic effects. [3] It is marketed in the Argentina, Australia, Portugal, Belgium, Switzerland, Luxembourg, Germany, Taiwan and Japan -- mainly for anti-anxiety. The usual dose of cloxazolam in adults is 3-12mg/day for anti-anxiety. [3]\r\n\r\nAlthough less commonly noted, it has also been reported as clinically effective in the treatment of depression, schizophrenia, and neurosis. [4] As well, it has also been studied in Japan in doses of 15-30mg/day as an adjunct in the treatment of intractable epilepsy, for which it has demonstrated effectiveness. [3]","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Used primarily as an anti-anxiety agent. Typically used short term, and may be given as a single dose of up to 100mcg/kg to reduce anxiety and tension experienced prior to surgery. ","Toxicity":"Drowsiness and ataxia are dose related. Central nervous system toxicity may result in respiratory depression and loss of consciousness. As such, pre-existing central nervous system depression and severe hepatic impairment are two particular contraindications for use.","MechanismOfAction":"Cloxazolam is a long acting benzodiazepine. It acts as a prodrug, with pharmacologically active metabolites, which bind to to the GABAa receptor, which other benzodiazepines bind to, to illicit a physiological response. [wiki] ","Pharmacodynamics":"Studies have shown a superiority of 4mg/day of cloxazepam to 12mg/day of bromazepam in terms of anxiety, depressed mood, and sleep; an insignificant difference in terms of sedative effect; and less muscle relaxant effects. [3] \r\n\r\nCloxazolam, administered as a single oral dose of 3mg, when compared to a single 5 mg dose of diazepam in one study, showed similar subjective measures; however, there cloxazolam caused more fatigue, and less mood improvement. Cloxazolam also induced a significant increase in heart rate in the control group of this study. [3]","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01554","Name":"19-Nor-4-androstenediol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01555","Name":"Alphacetylmethadol","DrugType":"small molecule","HalfLife":"","Description":"A narcotic analgesic with a long onset and duration of action. It is used mainly in the treatment of narcotic dependence. [PubChem]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01556","Name":"Chlorphentermine","DrugType":"small molecule","HalfLife":"40 hours","Description":"A sympathomimetic agent that was formerly used as an anorectic. It has properties similar to those of dextroamphetamine. It has been implicated in lipid storage disorders and pulmonary hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1223)","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Used as an appetite suppressant.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Chlorphentermine is a relatively weak stimulant with little abuse potential. It is no longer used due mainly to safety concerns, as it has a serotonergic effects profile similar to other withdrawn appetite suppressants such as fenfluramine and aminorex which were found to cause pulmonary hypertension and cardiac fibrosis following prolonged use.","Absorption":"Well absorbed following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000815","Name":"Chlorphentermine hydrochloride"}],"Groups":{"experimental":true,"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB01557","Name":"Alpha-methylfentanyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fentanyls. These are compounds containing the fentanyl moiety or a derivative, which is based on a N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide skeleton.","DirectParent":"Fentanyls","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Fentanyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01558","Name":"Bromazepam","DrugType":"small molecule","HalfLife":"10-20 hours","Description":"One of the benzodiazepines that is used in the treatment of anxiety disorders. [PubChem] It is a Schedule IV drug in the U.S. and Canada and under the Convention on Psychotropic Substances. It is a intermediate-acting benzodiazepines. ","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the short-term treatment of insomnia, short-term treatment of anxiety or panic attacks, if a benzodiazepine is required, and the alleviation of the symptoms of alcohol- and opiate-withdrawal.","Toxicity":"","MechanismOfAction":"Bromazepam binds to the GABA receptor GABA\u003csub\u003eA\u003c/sub\u003e, causing a conformational change and increasing inhibitory effects of GABA. Other neurotransmitters are not influenced.","Pharmacodynamics":"Bromazepam is a lipophilic, long-acting benzodiazepine and with sedative, hypnotic, anxiolytic and skeletal muscle relaxant properties. It does not possess any antidepressant qualities. Bromazepam shares with other benzodiazepines the risk of abuse, misuse, psychological and/or physical dependence. According to many psychiatric experts Bromazepam has a greater abuse potential than other benzodiazepines because of fast resorption and rapid onset of action.","Absorption":"Bioavailability is 84% following oral administration. The time to peak plasma level is 1 - 4 hours. Bromazepam is generally well absorbed after oral administration. ","Interactions":[{"ID":"DB01223"},{"ID":"DB01072"},{"ID":"DB00501"},{"ID":"DB01211"},{"ID":"DB00363"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB00343"},{"ID":"DB00651"},{"ID":"DB00199"},{"ID":"DB00196"},{"ID":"DB01319"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB01403"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00622"},{"ID":"DB01263"},{"ID":"DB00571"},{"ID":"DB00908"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00277"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01559","Name":"Clotiazepam","DrugType":"small molecule","HalfLife":"4 hours","Description":"Clotiazepam is a benzodiazepine derivative, not approved for sale in the U.S. or Canada, but has been approved in the U.K. It is a schedule IV drug in Canada.","Classification":{"Description":"This compound belongs to the thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring.","DirectParent":"Thienodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienodiazepines","SubClass":""},"Indication":"For the treatment of anxiety disorders.","Toxicity":"","MechanismOfAction":"Clotiazepam acts at the benzodiazepine receptors (BZD). This agonizes the action of GABA, increasing the frequency of opening of the channel chlorinates and penetration of the ions chlorinates through the ionophore. Increase in membrane polarization decreases the probability of discharge of neurons.","Pharmacodynamics":"Clotiazepam is a benzodiazepine derivative possessing anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Stage 2 NREM sleep is significantly increased by clotiazepam.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01560","Name":"Cathinone","DrugType":"small molecule","HalfLife":"","Description":"Cathinone (β-ketoamphetamine) is a monoamine alkaloid found in the shrub Catha edulis (Khat). Closely related to ephedrine, cathine and other amphetamines, it is probably the main contributor to the stimulant effect of Catha edulis. Cathinone differs from many other amphetamines in that its structure is a ketone. Other amphetamines to share this structure include the antidepressant bupropion and the stimulant methcathinone, among others. Internationally, cathinone is a Schedule I drug under the Convention on Psychotropic Substances. Circa 1993, the DEA added cathinone to the Controlled Substances Act's Schedule I in order to fulfill the requirements of international law. [Wikipedia]","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01561","Name":"Androstanedione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01562","Name":"1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine","DrugType":"small molecule","HalfLife":"","Description":"1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine (PEPAP) is a synthetic analogue of meperidine. It is sold as a \"synthetic heroin.\"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01563","Name":"Chloral hydrate","DrugType":"small molecule","HalfLife":"","Description":"A hypnotic and sedative used in the treatment of insomnia. The safety margin is too narrow for chloral hydrate to be used as a general anesthetic in humans, but it is commonly used for that purpose in animal experiments. It is no longer considered useful as an anti-anxiety medication. [PubChem]","Classification":{"Description":"This compound belongs to the chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.","DirectParent":"Chlorohydrins","Kingdom":"Organic Compounds","SuperClass":"Organic Halides","Class":"Halohydrins","SubClass":"Chlorohydrins"},"Indication":"Mainly used as a hyponotic in the treatment of insomnia; however, it is only effective as a hypnotic for short-term use. May be used as a routine sedative preoperatively to decrease anxiety and cause sedation and/or sleep with respiration depression or cough reflex. ","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"Rapidly absorbed in the GI tract following oral or rectal administration. Chloral hydrate and its active metabolite, trichloroethanol, have been detected in CSF, umbilical cord blood, fetal blood, and amniotic fluid. ","Interactions":[{"ID":"DB00427"}],"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01564","Name":"Calusterone","DrugType":"small molecule","HalfLife":"","Description":"A 17-alkylated orally active androgenic steroid. A Schedule IV drug in Canada.","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"An anabolic steroid which can theoretically aid in restauration and buildup of certain tissues, especially muscle. It is similar to synthetic testosterone and is still in early investigation. It was also investigated for use as a treatment for metastatic breast cancer.","Toxicity":"","MechanismOfAction":"The effects of calusterone in humans most likely occur by way of two main mechanisms: by activation of the androgen receptor, and by conversion to estradiol and activation of certain estrogen receptors.\r\nUsing testosterone as the prime example, free testosterone (T) is transported into the cytoplasm of target tissue cells, where it can bind to the androgen receptor, or can be reduced to 5\u0026alpha;-dihydrotestosterone (DHT) by the cytoplasmic enzyme 5\u0026alpha;-reductase. DHT binds to the same androgen receptor even more strongly than T, so that its androgenic potency is about 2.5 times that of T. The T-receptor or DHT-receptor complex undergoes a structural change that allows it to move into the cell nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects.","Pharmacodynamics":"Calusterone is a 17-alkylated orally active androgenic steroid. Calusterone may alter the metabolism of estradiol and reduce estrogen production. Calusterone has been investigated for possible antitumor properties.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01565","Name":"Dihydromorphine","DrugType":"small molecule","HalfLife":"","Description":"A semisynthetic analgesic used in the study of narcotic receptors. It has abuse potential. [PubChem]","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"Dihydromorphine is an opioid analgesic used for moderate to severe pain relief.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01566","Name":"3,4-Methylenedioxy-N-ethylamphetamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01567","Name":"Fludiazepam","DrugType":"small molecule","HalfLife":"","Description":"Fludiazepam is a drug which is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a scheduled drug in the U.S., but is approved for use in Japan.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Used for the short-term treatment of anxiety disorders.","Toxicity":"Symptoms of overdose include drowsiness, weakness, nausea, dizziness, abdominal pain, cerebral oedema and renal tubular necrosis, hyperglycaemia and hypoglycaemia, liver damage, encephalopathy, coma and death.","MechanismOfAction":"Fludiazepam has similar action to diazepam, but binds with four times more affinity to benzodiazepine receptors than diazepam. ","Pharmacodynamics":"Fludiazepam is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Fludiazepam accumulates primarily in the cortex and thalamus. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01568","Name":"Codeine-N-oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01569","Name":"Formebolone","DrugType":"small molecule","HalfLife":"","Description":"Formebolone, a derivative of androstane [1], is an anabolic androgenic steroid. It is on the list of substances prohibited by the Word Anti-Doping Agency, and is regularly screened for in athletes. It is also classified by the US Drug Enforcement Administration as Schedule III drug in the Controlled Substances Act. It has been used experimentally in the treatment of growth retardation, and has been noted to increase bone mass. [1] Additionally, it has been patented for use in development of novel transdermal delivery systems for enhanced drug delivery. ","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"No approve indications. Studied experimentally as a treatment for non-pituitary growth retardation [1].","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01570","Name":"Beta-hydroxy-3-methylfentanyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fentanyls. These are compounds containing the fentanyl moiety or a derivative, which is based on a N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide skeleton.","DirectParent":"Fentanyls","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Fentanyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01571","Name":"3-Methylfentanyl","DrugType":"small molecule","HalfLife":"","Description":"3-Methylfentanyl (3-MF, mefentanyl) is an opioid analgesic that is an analogue of fentanyl. 3-Methylfentanyl is one of the most potent drugs that has been widely sold on the black market, estimated to be between 400-6000 times stronger than morphine depending on which isomer is used (with cis isomer being the more potent one). 3-Methylfentanyl was first discovered in 1974 [4] and subsequently appeared on the street as an alternative to the clandestinely produced fentanyl analogue α-methylfentanyl. However it quickly became apparent that 3-methylfentanyl was much more potent than α-methylfentanyl, and corespondingly even more dangerous. [Wikipedia]","Classification":{"Description":"This compound belongs to the fentanyls. These are compounds containing the fentanyl moiety or a derivative, which is based on a N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide skeleton.","DirectParent":"Fentanyls","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Fentanyls"},"Indication":"","Toxicity":"3-Methylfentanyl has resulted in many deaths among opiate addicts using the drug.","MechanismOfAction":"Opiate receptors are coupled with G-protein receptors and function as both positive and negative regulators of synaptic transmission via G-proteins that activate effector proteins. Binding of the opiate stimulates the exchange of GTP for GDP on the G-protein complex. As the effector system is adenylate cyclase and cAMP located at the inner surface of the plasma membrane, opioids decrease intracellular cAMP by inhibiting adenylate cyclase. Subsequently, the release of nociceptive neurotransmitters such as substance P, GABA, dopamine, acetylcholine and noradrenaline is inhibited. Opioids also inhibit the release of vasopressin, somatostatin, insulin and glucagon. Fentanyl's analgesic activity is, most likely, due to its conversion to morphine. Opioids close N-type voltage-operated calcium channels (OP2-receptor agonist) and open calcium-dependent inwardly rectifying potassium channels (OP3 and OP1 receptor agonist). This results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"3-Methylfentanyl has similar effects to fentanyl, but is far more potent due to increased binding affinity to its target site. Since fentanyl itself is already highly potent, 3-methylfentanyl is extremely dangerous when used recreationally, and has resulted in many deaths among opiate addicts using the drug.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01572","Name":"17Alpha-methyl-delta1-dihydrotestosterone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01573","Name":"Benzylmorphine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB01574","Name":"Attapulgite","DrugType":"small molecule","HalfLife":"","Description":"Attapulgite is a magnesium aluminium phyllosilicate which occurs in a type of clay soil common to the Southeastern United States. When used in medicine, it physically binds to acids and toxic substances in the stomach and digestive tract. For that reason, it has often been used in antidiarrheal medications. Until 2003, it was the active ingredient used in Kaopectate, before that product was reformulated with bismuth subsalicylate.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"When used in medicine, it physically binds to acids and toxic substances in the stomach and digestive tract. For that reason, it has often been used in antidiarrheal medications. Attapulgite is an adsorbent. ","Toxicity":"","MechanismOfAction":"Attapulgite adsorbs water, toxins and bacteria, contributing to firmer stools, reducing fluid loss from diarrhea.","Pharmacodynamics":"Attapulgite is an adsorptive magnesium aluminium phyllosilicate which binds to toxins, bacteria and water. ","Absorption":"","Interactions":[{"ID":"DB00608"},{"ID":"DB01190"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB01627"},{"ID":"DB01017"},{"ID":"DB00299"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01575","Name":"Kaolin","DrugType":"small molecule","HalfLife":"","Description":"Kaolin is a layered silicate mineral. Kaolin is used in ceramics, medicine, coated paper, as a food additive, in toothpaste, as a light diffusing material in white incandescent light bulbs, and in cosmetics. Until the early 1990s it was the active substance of anti-diarrhoea medicine Kaopectate.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used for upset stomach and diarrhea, a traditional medicine used in China, South America and Africa. Kaolin is also used to treat AIDs-related diarrhea. Kaolin based bandages are also under investigation. ","Toxicity":"","MechanismOfAction":"Kaolin adsorbs water, toxins and bacteria, contributing to firmer stools, reducing fluid loss from diarrhea. ","Pharmacodynamics":"Kaolin is an adsorptive agent.","Absorption":"","Interactions":[{"ID":"DB00608"},{"ID":"DB01190"},{"ID":"DB01627"},{"ID":"DB00299"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01576","Name":"Dextroamphetamine","DrugType":"small molecule","HalfLife":"10-28 hours (average is approximately 12 hours)","Description":"Dextroamphetamine is the dextrorotary stereoisomer of the amphetamine molecule, which can take two different forms. It is a slightly polar, weak base and is lipophilic.\r\n","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Used to treat attention deficit hyperactivity disorder (ADHD).","Toxicity":"In rats, the oral LD50 of dextroamphetamine sulfate is 96.8 mg/kg. Manifestations of acute overdosage with amphetamines include restlessness, tremor, hyperreflexia, rhabdomyolysis, rapid respiration, hyperpyrexia, confusion, assaultiveness, hallucinations, panic states. Fatigue and depression usually follow the central stimulation. Cardiovascular effects include arrhythmias, hypertension or hypotension, and circulatory collapse. Gastrointestinal symptoms include nausea, vomiting, diarrhea, and abdominal cramps. Fatal poisoning is usually preceded by convulsions and coma.","MechanismOfAction":"The exact mechanism of action is not known. Dextroamphetamine stimulates the release of norepinephrine from central adrenergic receptors. At higher dosages, it causes release of dopamine from the mesocorticolimbic system and the nigrostriatal dopamine systems by reversal of the monoamine transporters. Dextroamphetamine may also act as a direct agonist on central 5-HT receptors and may inhibit monoamine oxidase (MAO). In the periphery, amphetamines are believed to cause the release of noradrenaline by acting on the adrenergic nerve terminals and alpha- and beta-receptors. Modulation of serotonergic pathways may contribute to the calming affect.","Pharmacodynamics":"Amphetamines such as dextroamphetamine are noncatecholamine, sympathomimetic amines with CNS stimulant activity. Peripheral actions include elevations of systolic and diastolic blood pressures and weak bronchodilator and respiratory stimulant action. There is neither specific evidence that clearly establishes the mechanism whereby amphetamines produce mental and behavioral effects in children, nor conclusive evidence regarding how these effects relate to the condition of the central nervous system.","Absorption":"Oral bioavailability is over 75%.","Interactions":[{"ID":"DB00477"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB01367"},{"ID":"DB00679"},{"ID":"DB00193"},{"ID":"DB00519"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000046","Name":"Dextroamphetamine sulfate"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01577","Name":"Methamphetamine","DrugType":"small molecule","HalfLife":"The biological half-life has been reported in the range of 4 to 5 hours.","Description":"Methamphetamine is a psychostimulant and sympathomimetic drug. It is a member of the amphetamine group of sympathomimetic amines. Methamphetamine can induce effects such as euphoria, increased alertness and energy, and enhanced self-esteem. It is a scheduled drug in most countries due to its high potential for addiction and abuse.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment of Attention Deficit Disorder with Hyperactivity (ADHD) and exogenous obesity.","Toxicity":"Manifestations of acute overdosage with methamphetamine include restlessness, tremor, hyperreflexia, rapid respiration, confusion, assaultiveness, hallucinations, panic states, hyperpyrexia, and rhabdomyolysis. Fatigue and depression usually follow the central stimulation. Cardiovascular effects include arrhythmias, hypertension or hypotension, and circulatory collapse. Gastrointestinal symptoms include nausea, vomiting, diarrhea, and abdominal cramps. Fatal poisoning usually terminates in convulsions and coma.","MechanismOfAction":"Methamphetamine enters the brain and triggers a cascading release of norepinephrine, dopamine and serotonin. To a lesser extent methamphetamine acts as a dopaminergic and adrenergic reuptake inhibitor and in high concentrations as a monamine oxidase inhibitor (MAOI). The mechanism of action involved in producing the beneficial behavioral changes seen in hyperkinetic children receiving methamphetamine is unknown.","Pharmacodynamics":"Methamphetamine is a potent central nervous system stimulant which affects neurochemical mechanisms responsible for regulating heart rate, body temperature, blood pressure, appetite, attention, mood and responses associated with alertness or alarm conditions. The acute effects of the drug closely resemble the physiological and psychological effects of an epinephrine-provoked fight-or-flight response, including increased heart rate and blood pressure, vasoconstriction (constriction of the arterial walls), bronchodilation, and hyperglycemia (increased blood sugar). Users experience an increase in focus, increased mental alertness, and the elimination of fatigue, as well as a decrease in appetite. ","Absorption":"Methamphetamine is rapidly absorbed from the gastrointestinal tract with peak methamphetamine concentrations occurring in 3.13 to 6.3 hours post ingestion. Methamphetamine is also well absorbed following inhalation and following intranasal administration. It is distributed to most parts of the body. Because methamphetamine has a high lipophilicity it is distributed across the blood brain barrier and crosses the placenta.","Interactions":[{"ID":"DB00477"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB01367"},{"ID":"DB00857"},{"ID":"DB00679"},{"ID":"DB00193"},{"ID":"DB00519"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000734","Name":"Methamphetamine hydrochloride"}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01578","Name":"Metrizamide","DrugType":"small molecule","HalfLife":"","Description":"Metrizamide is a solute for density gradient centrifugation offering higher maximum solution density without the problems of increased viscosity. It is also used as a resorbable, non-ionic contrast medium.","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"Metrizamide is used for lumbar, thoracic, cervical, and total columnar myelography to determine the presence of abnormalities in the spinal column, spinal canal, and central nervous system (CNS) as well as for cisternography by direct injection using standard radiologic techniques to visualize the basal cistern of the brain. For computerized tomography (CT) of the intracranial subarachnoid spaces and for ventriculography by direct injection using standard radiologic techniques to visualize the cerebral ventricles. Also used in pediatric angiocardiography to visualize lesions or malformations of the heart and obstructions or anomalies of the major thoracic vessels. Also used in adult peripheral arteriography to visualize specific regions of the vascular system and blood flow in such areas to help in the diagnosis and evaluation of neoplasms (known or suspected) or vascular diseases (congenital or acquired) that may cause changes in normal vascular anatomy or physiology. Metrizamide is also indicated in adults for intravenous digital arteriography of head and neck.","Toxicity":"Non-ionic radiocontrast agents like metrizamide are cytotoxic to renal cells. The toxic effects include apoptosis, cellular energy failure, disruption of calcium homeostasis, and disturbance of tubular cell polarity, and are thought to be linked to oxidative stress.","MechanismOfAction":"Organic iodine compounds such as metrizamide block x-rays as they pass through the body, thereby allowing body structures containing iodine to be delineated in contrast to those structures that do not contain iodine. The degree of opacity produced by these compounds is directly proportional to the total amount (concentration and volume) of the iodinated contrast agent in the path of the x-rays. After intrathecal administration into the subarachnoid space, diffusion of metrizamide in the CSF allows the visualization of the subarachnoid spaces of the head and spinal canal. After intravascular administration, metrizamide makes opaque those vessels in its path of flow, allowing visualization of the internal structures until significant hemodilution occurs. Metrazamide also has some toxic effects which are thought to be due to its ability to inhibit glucose metabolism. ","Pharmacodynamics":"Metrizamide is a radiocontrast agent used to improve the contrast of internal body structures using different imaging techniques such as computed tomography scans (CT) or radiography (X-ray imaging).","Absorption":"Absorption from gastrointestinal tract is negligible following oral or rectal administration.","Interactions":[{"ID":"DB00477"},{"ID":"DB00623"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00850"},{"ID":"DB00433"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB00679"},{"ID":"DB00831"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01579","Name":"Phendimetrazine","DrugType":"small molecule","HalfLife":"19-24 hours","Description":"Phendimetrazine is a weight loss medication. Phendimetrazine is chemically related to amphetamines and is a Schedule III drug under the Convention on Psychotropic Substances. In the United States, phendimetrazine is a Schedule III controlled substance under the Uniform Controlled Substances Act of 1970.","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"Used in the management of exogenous obesity as a short term adjunct (a few weeks) in a regimen of weight reduction based on caloric restriction.","Toxicity":"Acute overdosage of phendimetrazine may manifest itself by the following signs and symptoms: unusual restlessness, confusion, belligerance, hallucinations, and panic states. Fatigue and depression usually follow the central stimulation. Cardiovascular effects include arrhythmias, hypertension, or hypotension and circulatory collapse. Gastrointestinal symptoms include nausea, vomiting, diarrhea, and abdominal cramps. Poisoning may result in convulsions, coma and death.","MechanismOfAction":"Phendimetrazine may act in a similar way to amphetamines in that it activates the alpha-adrenergic system to induce an appetite suppressive and metabolic increase effect. The drug also acts as a norepinephrine-dopamine releasing agent (NDRA). It can bind to and reverse the NET.","Pharmacodynamics":"Phendimetrazine is a phenylalkylamine sympathomimetic amine with pharmacological activity similar to the prototype drugs of this class used in obesity, the amphetamines. Actions include central nervous system stimulation and elevation of blood pressure. Tachyphylaxis and tolerance has been demonstrated with all drugs of this class in which these phenomena have been looked for. Drugs of this class used in obesity are commonly known as ''anorectics or anorexigenics.\" It has not been established, however, that the action of such drugs in treating obesity is primarily one of appetite suppression. Other central nervous system actions or metabolic effects, may be involved.","Absorption":"Peak plasma levels occur within 1 to 3 hours. Absorption is usually complete by 4 to 6 hours.","Interactions":[{"ID":"DB00477"},{"ID":"DB00472"},{"ID":"DB00623"},{"ID":"DB00176"},{"ID":"DB01170"},{"ID":"DB01247"},{"ID":"DB00933"},{"ID":"DB01403"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB00433"},{"ID":"DB01069"},{"ID":"DB01608"},{"ID":"DB01367"},{"ID":"DB00679"},{"ID":"DB00193"},{"ID":"DB00519"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01580","Name":"Oxprenolol","DrugType":"small molecule","HalfLife":"1-2 hours","Description":"A beta-adrenergic antagonist used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety. [PubChem]","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety.","Toxicity":"Symptoms of overdose include abdominal irritation, central nervous system depression, coma, extremely slow heartbeat, heart failure, lethargy, low blood pressure, and wheezing.","MechanismOfAction":"Like other beta-adrenergic antagonists, oxprenolol competes with adrenergic neurotransmitters such as catecholamines for binding at sympathetic receptor sites. Like propranolol and timolol, oxprenolol binds at beta(1)-adrenergic receptors in the heart and vascular smooth muscle, inhibiting the effects of the catecholamines epinephrine and norepinephrine and decreasing heart rate, cardiac output, and systolic and diastolic blood pressure. It also blocks beta-2 adrenergic receptors located in bronchiole smooth muscle, causing vasoconstriction. By binding beta-2 receptors in the juxtaglomerular apparatus, oxprenolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production. Oxprenolol therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively.","Pharmacodynamics":"Oxprenolol is a non-selective beta blocker with some intrinsic sympathomimetic activity. Oxprenolol is a lipophilic beta blocker which passes the blood-brain barrier more easily than water soluble beta blockers. As such, it is associated with a higher incidence of CNS-related side effects than hydrophilic ligands such as atenolol, sotalol and nadolol. Oxprenolol is an potent beta-blocker and should not be administered to asthmatics because it can cause irreversible airway failure and inflammation.","Absorption":"Oral bioavailability is 20-70%.","Interactions":[{"ID":"DB00414"},{"ID":"DB00672"},{"ID":"DB00575"},{"ID":"DB00320"},{"ID":"DB00280"},{"ID":"DB00668"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01288"},{"ID":"DB00983"},{"ID":"DB01120"},{"ID":"DB01067"},{"ID":"DB01289"},{"ID":"DB01016"},{"ID":"DB01382"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00047"},{"ID":"DB01064"},{"ID":"DB00281"},{"ID":"DB00968"},{"ID":"DB00247"},{"ID":"DB00816"},{"ID":"DB00236"},{"ID":"DB01291"},{"ID":"DB00554"},{"ID":"DB01297"},{"ID":"DB00457"},{"ID":"DB00912"},{"ID":"DB01001"},{"ID":"DB00938"},{"ID":"DB01162"},{"ID":"DB00871"},{"ID":"DB00839"},{"ID":"DB01124"},{"ID":"DB00374"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT001070","Name":"Oxprenolol hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00304","Drugs":["DB01345","DB01373","DB01580"]}]},{"ID":"DB01581","Name":"Sulfamerazine","DrugType":"small molecule","HalfLife":"","Description":"A sulfanilamide that is used as an antibacterial agent. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"A sulfanilamide that is used as an antibacterial agent. It can be used to treat bronchitis, prostatitis and urinary tract infections.","Toxicity":"Sulfamerazine may cause nausea, vomiting, diarrhea and hypersensitivity reactions. Hematologic effects such as anemia, agranulocytosis, thrombocytopenia and hemolytic anemia in patients with glucose-6-phosphate dehydrogenase deficiency may also occur. Sulfamethoxazole may displace bilirubin from albumin binding sites causing jaundice or kernicterus in newborns. ","MechanismOfAction":"Sulfamerazine is a sulfonamide drug that inhibits bacterial synthesis of dihydrofolic acid by competing with para-aminobenzoic acid (PABA) for binding to dihydropteroate synthetase (dihydrofolate synthetase). Sulfamerazine is bacteriostatic in nature. Inhibition of dihydrofolic acid synthesis decreases the synthesis of bacterial nucleotides and DNA. ","Pharmacodynamics":"Sulfonamides act as competitive inhibitors of the enzyme dihydropteroate synthetase (DHPS), an enzyme involved in folate synthesis in bacteria.","Absorption":"Rapidly absorbed following oral administration.","Interactions":[{"ID":"DB00672"},{"ID":"DB00563"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01582","Name":"Sulfamethazine","DrugType":"small molecule","HalfLife":"","Description":"A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment bacterial infections causing bronchitis, prostatitis and urinary tract infections.","Toxicity":"Sulfamethazine may cause nausea, vomiting, diarrhea and hypersensitivity reactions. Hematologic effects such as anemia, agranulocytosis, thrombocytopenia and hemolytic anemia in patients with glucose-6-phosphate dehydrogenase deficiency may also occur. Sulfamethoxazole may displace bilirubin from albumin binding sites causing jaundice or kernicterus in newborns. ","MechanismOfAction":"Sulfonamides inhibit the enzymatic conversion of pteridine and p-aminobenzoic acid (PABA) to dihydropteroic acid by competing with PABA for binding to dihydrofolate synthetase, an intermediate of tetrahydrofolic acid (THF) synthesis. THF is required for the synthesis of purines and dTMP and inhibition of its synthesis inhibits bacterial growth. Pyrimethamine and trimethoprim inhibit dihydrofolate reductase, another step in THF synthesis, and therefore act synergistically with the sulfonamides.","Pharmacodynamics":"Sulfamethazine is a sulfonamide drug that inhibits bacterial synthesis of dihydrofolic acid by competing with para-aminobenzoic acid (PABA) for binding to dihydropteroate synthetase (dihydrofolate synthetase). Sulfamethazine is bacteriostatic in nature. Inhibition of dihydrofolic acid synthesis decreases the synthesis of bacterial nucleotides and DNA. ","Absorption":"Rapidly absorbed following oral administration.","Interactions":[{"ID":"DB00672"},{"ID":"DB00091"},{"ID":"DB00563"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01583","Name":"Liotrix","DrugType":"small molecule","HalfLife":"","Description":"Liotrix is a synthetically derived thyroid hormone replacement preparation. It consists of levothyroxine sodium (thyroxine, T4) and liothyronine sodium (triiodothyronine, T3) in a 4 to 1 ratio by weight. Liotrix was developed when it was believed that serum levels of both T4 and T3 were maintained by direct thyroidal secretion. It is now known that the thyroid gland secretes approximately ten times more T4 than T3 and that 80% of serum T3 is derived from deiodination of T4 in peripheral tissues. Administration of levothyroxine alone is sufficient for maintaining serum T4 and T3 levels in most patients and combination hormone replacement therapy generally offers no therapeutic advantage. In fact, administration of T3 may result in supratherapeutic levels of T3.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"May be used to treat primary, secondary or tertiary hypothyroidism. May also be used to suppress thyroid stimulating hormone (TSH) secretion in patients with simple (nontoxic) goiter, subacute or chronic lymphocytic thyroiditis multinodular goiter, and in the management of thyroid cancer. May be used in conjunction with other antithyroid agents to treat thyrotoxicosis to prevent goitrogenesis and hypothyroidism. May also be used for differential diagnosis of suspected mild hyperthyroidism or thyroid gland autonomy.","Toxicity":"Hypermetabolic state indistinguishable from thyrotoxicosis of endogenous origin. Symptoms of thyrotoxicosis include weight loss, increased appetite, palpitations, nervousness, diarrhea, abdominal cramps, sweating, tachycardia, increased pulse and blood pressure, cardiac arrhythmias, tremors, insomnia, heat intolerance, fever, and menstrual irregularities.","MechanismOfAction":"The hormones, T\u003csub\u003e4\u003c/sub\u003e and T\u003csub\u003e3\u003c/sub\u003e, are tyrosine-based hormones produced by the thyroid gland. Iodine is an important component in their synthesis. The major secreted form of thyroid hormone is T4. T4 is converted T3, the more active thyroid hormone, by deiodinases in peripheral tissues. T3 acts in the body to increase basal metabolic rate, alter protein synthesis and increase the body's sensitivity to catecholamines (such as adrenaline). Thyroid hormones are essential for proper development and differentiation of all cells of the human body. T\u003csub\u003e4\u003c/sub\u003e and T\u003csub\u003e3\u003c/sub\u003e regulate protein, fat and carbohydrate metabolism to varying extents. The most pronounced effect of the hormones is in altering how human cells use energetic compounds. The thyroid hormone derivatives bind to the thyroid hormone receptors initially to initiate their downstream effects.","Pharmacodynamics":"Thyroid hormone drugs are natural or synthetic preparations containing T\u003csub\u003e4\u003c/sub\u003e or T\u003csub\u003e3\u003c/sub\u003e or both. T\u003csub\u003e4\u003c/sub\u003e and T\u003csub\u003e3\u003c/sub\u003e are produced in the human thyroid gland by the iodination and coupling of the amino acid tyrosine. Liotrix is a synthetic preparation of T4 and T3 in a 4:1 weight-based ratio. These hormones enhance oxygen consumption by most tissues of the body and increase the basal metabolic rate and the metabolism of carbohydrates, lipids and proteins. Thus, they exert a profound influence on every organ system in the body and are of particular importance in the development of the central nervous system.","Absorption":"","Interactions":[{"ID":"DB00258"},{"ID":"DB01432"},{"ID":"DB00375"},{"ID":"DB00390"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01584","Name":"Thyroglobulin","DrugType":"small molecule","HalfLife":"","Description":"Thyroglobulin is a thyroid hormone (enzyme) used by the thyroid gland to produce the thyroid hormones thyroxine (T4) and triiodothyronine (T3). The active form of thyroxine, triiodothyronine, is produced both within the thyroid gland and periphery by 5'-deiodinase. Patients with Hashimoto's thyroiditis or Graves' disease, frequently develop antibodies against thyroglobulin. Thyroglobulin is used to treat hypothyroidism.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01432"},{"ID":"DB00375"},{"ID":"DB00390"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01586","Name":"Ursodeoxycholic acid","DrugType":"small molecule","HalfLife":"","Description":"Ursodeoxycholic acid is an epimer of chenodeoxycholic acid (DB06777). It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic. [PubChem]","Classification":{"Description":"This compound belongs to the dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.","DirectParent":"Dihydroxy Bile Acids, Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"The drug reduces cholesterol absorption and is used to dissolve (cholesterol) gallstones in patients who want an alternative to surgery.","Toxicity":"Neither accidental nor intentional overdosing with ursodeoxycholic acid has been reported. Doses of ursodeoxycholic acid in the range of 16-20 mg/kg/day have been tolerated for 6-37 months without symptoms by 7 patients. The LD50 for ursodeoxycholic acid in rats is over 5000 mg/kg given over 7-10 days and over 7500 mg/kg for mice. The most likely manifestation of severe overdose with ursodeoxycholic acid would probably be diarrhea, which should be treated symptomatically.","MechanismOfAction":"Ursodeoxycholic acid reduces elevated liver enzyme levels by facilitating bile flow through the liver and protecting liver cells.\r\nThe main mechanism if anticholelithic. Although the exact process of ursodiol's anticholelithic action is not completely understood, it is thought that the drug is concentrated in bile and decreases biliary cholesterol by suppressing hepatic synthesis and secretion of cholesterol and by inhibiting its intestinal absorption. The reduced cholesterol saturation permits the gradual solubilization of cholesterol from gallstones, resulting in their eventual dissolution.\r\n\r\n\r\n","Pharmacodynamics":"Ursodiol (also known as ursodeoxycholic acid) is one of the secondary bile acids, which are metabolic byproducts of intestinal bacteria. Primary bile acids are produced by the liver and stored in the gall bladder. When secreted into the colon, primary bile acids can be metabolized into secondary bile acids by intestinal bacteria. Primary and secondary bile acids help the body digest fats. Ursodeoxycholic acid helps regulate cholesterol by reducing the rate at which the intestine absorbs cholesterol molecules while breaking up micelles containing cholesterol. Because of this property, ursodeoxycholic acid is used to treat gall stones non-surgically.","Absorption":"","Interactions":[{"ID":"DB01432"},{"ID":"DB00636"},{"ID":"DB00882"},{"ID":"DB00930"},{"ID":"DB00375"},{"ID":"DB00286"},{"ID":"DB00091"},{"ID":"DB00255"},{"ID":"DB00783"},{"ID":"DB00977"},{"ID":"DB01039"},{"ID":"DB01241"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01587","Name":"Ketazolam","DrugType":"small molecule","HalfLife":"26-200 hours","Description":"Ketazolam is a drug which is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Ketazolam is not approved for sale in the United States or Canada.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Ketazolam could be used for the treatment of anxiety. In approved countries, it is indicated for the treatment of anxiety, tension, irritability and similar stress related symptoms.","Toxicity":"Symptoms of overdose include somnolence, confusion, coma, and diminished reflexes. Respiration, pulse and blood pressure should be monitored.","MechanismOfAction":"Benzodiazepines share a similar chemical structure and their effects in humans are mainly produced by the allosteric modification of a specific kind of neurotransmitter receptor, the GABAA receptor, which increases the conductance of this inhibitory channel; this results in the various therapeutic effects as well as adverse effects of benzodiazepines. Binding of benzodiazepines to this receptor complex promotes binding of GABA, which in turn increases the conduction of chloride ions across the neuronal cell membrane. This increased conductance raises the membrane potential of the neuron resulting in inhibition of neuronal firing. In addition, different GABAA receptor subtypes have varying distributions within different regions of the brain and therefore control distinct neuronal circuits. Hence, activation of different GABAA receptor subtypes by benzodiazepines may result in distinct pharmacological actions.","Pharmacodynamics":"Benzodiazepines enhance the effect of the neurotransmitter gamma-aminobutyric acid (GABA), which results in sedative, hypnotic, anxiolytic, anticonvulsant, muscle relaxant and amnesic action.\r\nBenzodiazepines bind nonspecifically to benzodiazepine receptors which mediate sleep, affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABA\u003csub\u003eA\u003c/sub\u003e) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Absorption":"","Interactions":[{"ID":"DB00501"},{"ID":"DB00363"},{"ID":"DB00338"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01588","Name":"Prazepam","DrugType":"small molecule","HalfLife":"36-200 hours","Description":"Prazepam is a benzodiazepine that is used in the treatment of anxiety disorders. It is a schedule IV drug in the U.S.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the treatment of anxiety disorders.","Toxicity":"Symptoms of overdose include somnolence, confusion, coma, and diminished reflexes. Respiration, pulse and blood pressure should be monitored.","MechanismOfAction":"Prazepam is believed to stimulate GABA receptors in the ascending reticular activating system. Since GABA is inhibitory, receptor stimulation increases inhibition and blocks both cortical and limbic arousal following stimulation of the brain stem reticular formation.","Pharmacodynamics":"Prazepam is a benzodiazepine derivative drug. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Benzodiazepines may be habit-forming (causing mental or physical dependence), especially when taken for a long time or in high doses.","Absorption":"","Interactions":[{"ID":"DB00501"},{"ID":"DB00363"},{"ID":"DB00224"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00932"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01589","Name":"Quazepam","DrugType":"small molecule","HalfLife":"39 hours","Description":"Quazepam is a drug which is a benzodiazepine derivative. It induces impairment of motor function and has hypnotic properties. Quazepam is used to treat insomnia.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Used to treat insomnia.","Toxicity":"","MechanismOfAction":"Benzodiazepines bind nonspecifically to benzodiazepine receptors, which affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABA\u003csub\u003eA\u003c/sub\u003e) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.","Pharmacodynamics":"Quazepam is a benzodiazepine derivative. The main pharmacological action of quazepam is the enhancement of the neurotransmitter, GABA at the GABA\u003csub\u003eA\u003c/sub\u003e receptor.","Absorption":"Bioavailability is 29-35% following oral administration.","Interactions":[{"ID":"DB00501"},{"ID":"DB00363"},{"ID":"DB00196"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00220"},{"ID":"DB00338"},{"ID":"DB00932"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB01590","Name":"Everolimus","DrugType":"small molecule","HalfLife":"~30 hours.","Description":"Everolimus is a derivative of Rapamycin (sirolimus), and works similarly to Rapamycin as an mTOR (mammalian target of rapamycin) inhibitor. It is currently used as an immunosuppressant to prevent rejection of organ transplants. In a similar fashion to other mTOR inhibitors Everolimus' effect is solely on the mTORC1 protein and not on the mTORC2 protein.","Classification":{"Description":"This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.","DirectParent":"Macrolide Lactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolide Lactams","SubClass":""},"Indication":"Everolimus is indicated for the treatment of postmenopausal women with advanced hormone receptor-positive, HER2-negative breast cancer (advanced HR+ BC) in combination with exemestane, after failure of treatment with letrozole or anastrozole.\r\nIndicated for the treatment of adult patients with progressive neuroendocrine tumors of pancreatic origin (PNET) with unresectable, locally advanced or metastatic disease.\r\nIndicated for the treatment of adult patients with advanced renal cell carcinoma (RCC) after failure of treatment with sunitinib or sorafenib.\r\nIndicated for the treatment of adult patients with renal angiomyolipoma and tuberous sclerosis complex (TSC), not requiring immediate surgery.\r\nIndicated in pediatric and adult patients with tuberous sclerosis complex (TSC) for the treatment of subependymal giant cell astrocytoma (SEGA) that requires therapeutic intervention but cannot be curatively resected.","Toxicity":"IC50 of 0.63 nM.","MechanismOfAction":"Everolimus is a mTOR inhibitor that binds with high affinity to the FK506 binding protein-12 (FKBP-12), thereby forming a drug complex that inhibits the activation of mTOR. This inhibition reduces the activity of effectors downstream, which leads to a blockage in the progression of cells from G1 into S phase, and subsequently inducing cell growth arrest and apoptosis. Everolimus also inhibits the expression of hypoxia-inducible factor, leading to a decrease in the expression of vascular endothelial growth factor. The result of everolimus inhibition of mTOR is a reduction in cell proliferation, angiogenesis, and glucose uptake.","Pharmacodynamics":"","Absorption":"In patients with advanced solid tumors, peak everolimus concentrations are reached 1 to 2 hours after administration of oral doses ranging from 5 mg to 70 mg. Following single doses, Cmax is dose-proportional between 5 mg and 10 mg. At doses of 20 mg and higher, the increase in Cmax is less than dose-proportional, however AUC shows dose-proportionality over the 5 mg to 70 mg dose range. Steady-state was achieved within 2 weeks following once-daily dosing.\r\nDose Proportionality in Patients with SEGA (subependymal giant-cell astrocytomas) and TSC (tuberous sclerosis complex): In patients with SEGA and TSC, everolimus Cmin was approximately dose-proportional within the dose range from 1.35 mg/m2 to 14.4 mg/m2.","Interactions":[{"ID":"DB01128"},{"ID":"DB01211"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB06372"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01591","Name":"Solifenacin","DrugType":"small molecule","HalfLife":"The elimination half-life of solifenacin following chronic dosing is approximately 45-68 hours.","Description":"Solifenacin (rINN), marketed as solifenacin succinate under the trade name Vesicare, is a urinary antispasmodic of the anticholinergic class. It is used in the treatment of overactive bladder with urge incontinence. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and urinary frequency.","Toxicity":"Overdosage with solifenacin can potentially result in severe anticholinergic effects and should be treated accordingly. The highest solifenacin dose given to human volunteers was a single 100 mg dose. Intolerable anticholinergic side effects (fixed and dilated pupils, blurred vision, failure of heel-to-toe exam, tremors and dry skin) occurred on day 3 in normal volunteers taking 50 mg daily (5 times the maximum recommended therapeutic dose).","MechanismOfAction":"Solifenacin is a competitive muscarinic acetylcholine receptor antagonist. The binding of acetylcholine to these receptors, particularly the M3 receptor subtype, plays a critical role in the contraction of smooth muscle. By preventing the binding of acetylcholine to these receptors, solifenacin reduces smooth muscle tone in the bladder, allowing the bladder to retain larger volumes of urine and reducing the number of incontinence episodes.","Pharmacodynamics":"Solifenacin is a competitive muscarinic receptor antagonist. Muscarinic receptors play an important role in several major cholinergically mediated functions, including contractions of urinary bladder smooth muscle and stimulation of salivary secretion.","Absorption":"The absolute bioavailability of solifenacin is approximately 90%, and plasma concentrations of solifenacin are proportional to the dose administered.","Interactions":[{"ID":"DB01211"},{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00382"},{"ID":"DB00976"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01592","Name":"Iron","DrugType":"small molecule","HalfLife":"","Description":"A metallic element found in certain minerals, in nearly all soils, and in mineral waters. It is an essential constituent of hemoglobin, cytochrome, and other components of respiratory enzyme systems. Its chief functions are in the transport of oxygen to tissue (hemoglobin) and in cellular oxidation mechanisms. Depletion of iron stores may result in iron-deficiency anemia. Iron is used to build up the blood in anemia. ","Classification":{"Description":"This compound belongs to the homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.","DirectParent":"Homogeneous Transition Metal Compounds","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Metal Compounds","Class":"Homogeneous Transition Metal Compounds","SubClass":""},"Indication":"Used in preventing and treating iron-deficiency anemia.","Toxicity":"Acute iron overdosage can be divided into four stages. In the first stage, which occurs up to six hours after ingestion, the principal symptoms are vomiting and diarrhea. Other symptoms include hypotension, tachycardia and CNS depression ranging from lethargy to coma. The second phase may occur at 6-24 hours after ingestion and is characterized by a temporary remission. In the third phase, gastrointestinal symptoms recur accompanied by shock, metabolic acidosis, coma, hepatic necrosis and jaundice, hypoglycemia, renal failure and pulmonary edema. The fourth phase may occur several weeks after ingestion and is characterized by gastrointestinal obstruction and liver damage. In a young child, 75 milligrams per kilogram is considered extremely dangerous. A dose of 30 milligrams per kilogram can lead to symptoms of toxicity. Estimates of a lethal dosage range from 180 milligrams per kilogram and upwards. A peak serum iron concentration of five micrograms or more per ml is associated with moderate to severe poisoning in many.","MechanismOfAction":"Iron is necessary for the production of hemoglobin. Iron-deficiency can lead to decreased production of hemoglobin and a microcytic, hypochromic anemia.","Pharmacodynamics":"The major activity of supplemental iron is in the prevention and treatment of iron deficiency anemia. Iron has putative immune-enhancing, anticarcinogenic and cognition-enhancing activities.","Absorption":"The efficiency of absorption depends on the salt form, the amount administered, the dosing regimen and the size of iron stores. Subjects with normal iron stores absorb 10% to 35% of an iron dose. 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molecule","HalfLife":"9 hours","Description":"Cinolazepam is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Cinolazepam is not approved for sale in the United States or Canada.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the management of anxiety disorders or for the short-term relief of the symptoms of anxiety or anxiety associated with depressive symptoms.","Toxicity":"The onset of impairment of consciousness is relatively rapid in benzodiazepine poisoning. Onset is more rapid following larger doses and with agents of shorter duration of action. The most common and initial symptom is somnolence. This may progress to coma Grade I or Grade II following very large ingestions.","MechanismOfAction":"Cinolazepam binds to central benzodiazepine receptors which interact allosterically with GABA receptors. This potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways.","Pharmacodynamics":"Cinolazepam is a drug which is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Cinolazepam is not approved for sale in the United States or Canada.","Absorption":"Bioavailability following oral administration is 90-100%.","Interactions":[{"ID":"DB00363"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01595","Name":"Nitrazepam","DrugType":"small molecule","HalfLife":"15-38 hours (mean elimination half life 26 hours).","Description":"A benzodiazepine derivative used as an anticonvulsant and hypnotic.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"Used to treat short-term sleeping problems (insomnia), such as difficulty falling asleep, frequent awakenings during the night, and early-morning awakening.","Toxicity":"Nitrazepam is a drug which is very frequently involved in drug intoxication, including overdose. Nitrazepam overdose may result in stereotypical symptoms of benzodiazepine overdose including intoxication, impaired balance, slurred speech. In cases of severe overdose this may progress to a comatose state with the possibility of death.","MechanismOfAction":"Nitrazepam belongs to a group of medicines called benzodiazepines. It acts on benzodiazepine receptors in the brain which are associated with the GABA receptors causing an enhanced binding of GABA (gamma amino butyric acid) to GABAA receptors. GABA is a major inhibitory neurotransmitter in the brain, involved in inducing sleepiness, muscular relaxation and control of anxiety and fits, and slows down the central nervous system. The anticonvulsant properties of nitrazepam and other benzodiazepines may be in part or entirely due to binding to voltage-dependent sodium channels rather than benzodiazepine receptors. Sustained repetitive firing seems to be limited by benzodiazepines effect of slowing recovery of sodium channels from inactivation.","Pharmacodynamics":"Nitrazepam is a type of benzodiazepine drug. It is a powerful hypnotic drug which possesses strong sedative, anxiolytic, amnestic, anticonvulsant, and skeletal muscle relaxant properties. Nitrazepam shortens the time required to fall asleep and lengthens the duration of sleep. It is also useful for the management of myoclonic seizures.","Absorption":"Bioavailability is 53-94% following oral administration.","Interactions":[{"ID":"DB00363"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01597","Name":"Cilastatin","DrugType":"small molecule","HalfLife":"","Description":"A renal dehydropeptidase-I and leukotriene D4 dipeptidase inhibitor. Since the antibiotic, imipenem, is hydrolyzed by dehydropeptidase-I, which resides in the brush border of the renal tubule, cilastatin is administered with imipenem to increase its effectiveness. The drug also inhibits the metabolism of leukotriene D4 to leukotriene E4. [PubChem]","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Combined intravenously with imipenem in order to protect it from dehydropeptidase and prolong its antibacterial effect.","Toxicity":"","MechanismOfAction":"Cilastatin is a specific and reversible renal dehydropeptidase-I inhibitor. Since the antibiotic, imipenem, is hydrolyzed by dehydropeptidase-I, which resides in the brush border of the renal tubule, cilastatin is administered with imipenem to block the metabolism and thus the inactivation of imipenem so that antibacterial levels of imipenem can be attained in the urine. The drug also prevents the metabolism of leukotriene D4 to leukotriene E4 through the inhibition of leukotriene D4 dipeptidase.","Pharmacodynamics":"Cilastatin is a chemical compound which inhibits the human enzyme dehydropeptidase. Dehydropeptidase is found in the kidney and is responsible for degrading the antibiotic imipenem. Cilastatin is therefore combined intravenously with imipenem in order to protect it from dehydropeptidase and prolong its antibacterial effect. However, cilastatin in and of itself does not have any antibacterial activity.","Absorption":"","Interactions":[{"ID":"DB00091"},{"ID":"DB01610"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01598","Name":"Imipenem","DrugType":"small molecule","HalfLife":"1 hour","Description":"Semisynthetic thienamycin that has a wide spectrum of antibacterial activity against gram-negative and gram-positive aerobic and anaerobic bacteria, including many multiresistant strains. It is stable to beta-lactamases. Clinical studies have demonstrated high efficacy in the treatment of infections of various body systems. Its effectiveness is enhanced when it is administered in combination with cilastatin, a renal dipeptidase inhibitor. [PubChem]","Classification":{"Description":"This compound belongs to the carbapenems. These are beta-lactam derivatives in which the beta-lactam ring shares the nitrogen atom with a pyrrole-2-carboxylic acid.","DirectParent":"Carbapenems","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of bacterial infections caused by susceptible bacteria.","Toxicity":"","MechanismOfAction":"Imipenem acts as an antimicrobial through the inhibition of cell wall synthesis of various gram-positive and gram-negative bacteria. This inhibition of cell wall synthesis in gram-negative bateria is attained by binding to pencillin binding proteins (PBPs). In E. coli and selected strains of P. aeruginosa, imipenem has shown to have the highest affinity to PBP-2, PBP-1a, and PBP-1b. This preferential binding to PBP-2 and PBP-1b results in the direct conversion of the individual cell to a spheroblast, which leads to rapid cell lysis and death without filament formation.","Pharmacodynamics":"Imipenem is a beta-lactam antibiotic belongings to the subgroup of carbapenems. Imipenem has a broad spectrum of activity against aerobic and anaerobic Gram positive as well as Gram negative bacteria. It is particularly important for its activity against \u003ci\u003ePseudomonas aeruginosa\u003c/i\u003e and the \u003ci\u003eEnterococcus\u003c/i\u003e species. Imipenem is rapidly degraded by the renal enzyme dehydropeptidase when administered alone, and is always co-administered with cilastatin to prevent this inactivation.","Absorption":"Imipenem is not effectively absorbed from the gastrointestinal tract and therefore must be administered parenterally.","Interactions":[{"ID":"DB00091"},{"ID":"DB01610"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01599","Name":"Probucol","DrugType":"small molecule","HalfLife":"Ranges from 12 hours to more than 500 hours, the longest half-life probably being in adipose tissue.","Description":"A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"Used to lower LDL and HDL cholesterol.","Toxicity":"","MechanismOfAction":"Probucol lowers serum cholesterol by increasing the fractional rate of low-density lipoprotein (LDL) catabolism in the final metabolic pathway for cholesterol elimination from the body. Additionally, probucol may inhibit early stages of cholesterol biosynthesis and slightly inhibit dietary cholesterol absorption. Recent information suggests that probucol may inhibit the oxidation and tissue deposition of LDL cholesterol, thereby inhibiting atherogenesis. It appears to inhibits ABCA1-mediated cellular lipid efflux.","Pharmacodynamics":"Probucol lowers the level of cholesterol in the bloodstream by increasing the rate of LDL catabolism. Additionally, probucol may inhibit cholesterol synthesis and delay cholesterol absorption. Probucol is a powerful antioxidant drug normally used to prevent vascular disease caused by the free radicals in the body.","Absorption":"Absorption from the gastrointestinal tract is limited and variable (about 7%).","Interactions":[{"ID":"DB06697"},{"ID":"DB00091"},{"ID":"DB06708"},{"ID":"DB00864"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01600","Name":"Tiaprofenic acid","DrugType":"small molecule","HalfLife":"1.5-2.5 hours","Description":"Tiaprofenic acid is a non-steroidal anti-inflammatory drug of the arylpropionic acid (profen) class, used to treat pain, especially arthritic pain.","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"Tiaprofenic acid is used to treat pain, especially arthritic pain.","Toxicity":"","MechanismOfAction":"Tiaprofenic acid belongs to a group of medicines called non-steroidal anti-inflammatory drugs (NSAIDs). It works by blocking the production of a chemical (prostaglandin) which the body produces in response to injury or certain diseases. This prostaglandin would otherwise go on to cause swelling, pain and inflammation.","Pharmacodynamics":"Tiaprofenic acid is a non-steroidal anti-inflammatory drug of the arylpropionic acid (profen) class, used to treat pain, especially arthritic pain. The typical adult dose is 300mg twice daily. It is not recommended in children.","Absorption":"Bioavailability is 90% following oral administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB00945"},{"ID":"DB00233"},{"ID":"DB01432"},{"ID":"DB00215"},{"ID":"DB00930"},{"ID":"DB00375"},{"ID":"DB00091"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB01381"},{"ID":"DB01404"},{"ID":"DB00465"},{"ID":"DB01356"},{"ID":"DB00563"},{"ID":"DB00715"},{"ID":"DB00642"},{"ID":"DB01399"},{"ID":"DB01104"},{"ID":"DB00966"},{"ID":"DB00373"},{"ID":"DB00519"},{"ID":"DB00374"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00705","Drugs":["DB00142","DB00143","DB01373","DB01593","DB01600","DB04557"]}]},{"ID":"DB01601","Name":"Lopinavir","DrugType":"small molecule","HalfLife":"","Description":"Lopinavir (ABT-378) is an antiretroviral of the protease inhibitor class. It is marketed by Abbott as Kaletra, a co-formulation with a sub-therapeutic dose of ritonavir, as a component of combination therapy to treat HIV/AIDS.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Indicated in combination with other antiretroviral agents for the treatment of HIV-infection.","Toxicity":"Although human experience of acute overdosage with lopinavir is limited, accidental ingestion of the product by a young child could result in significant alcohol-related toxicity and could approach the potential lethal dose of alcohol. ","MechanismOfAction":"Lopinavir inhibits the HIV viral protease enzyme. This prevents cleavage of the gag-pol polyprotein and, therefore, improper viral assembly results. This subsequently results in non-infectious, immature viral particles. ","Pharmacodynamics":"Lopinavir is an antiretroviral of the protease inhibitor class. Inhibiting HIV-1 protease (responsible for protein cleavage), results in selectively inhibiting the cleavage of HIV gag and gag-pol polyproteins, thereby preventing viral maturation.","Absorption":"Administered alone, lopinavir has insufficient bioavailability; however, like several HIV protease inhibitors, its blood levels are greatly increased by low doses of ritonavir, a potent inhibitor of cytochrome P450 3A4.","Interactions":[{"ID":"DB01048"},{"ID":"DB01558"},{"ID":"DB01219"},{"ID":"DB01264"},{"ID":"DB06414"},{"ID":"DB01320"},{"ID":"DB00252"},{"ID":"DB08860"},{"ID":"DB08901"},{"ID":"DB01656"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB06287"},{"ID":"DB00444"},{"ID":"DB00906"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB01030"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00862"},{"ID":"DB00285"},{"ID":"DB00661"},{"ID":"DB00570"},{"ID":"DB00541"},{"ID":"DB00361"},{"ID":"DB00582"},{"ID":"DB00425"},{"ID":"DB00909"},{"ID":"DB01198"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01602","Name":"Bacampicillin","DrugType":"small molecule","HalfLife":"","Description":"Bacampicillin is a prodrug of ampicillin and is microbiologically inactive. It is absorbed following oral administration. During absorption from the gastrointestinal tract, bacampicillin is hydrolyzed by esterases present in the intestinal wall. It is microbiologically active as ampicillin, and exerts a bactericidal action through the inhibition of the biosynthesis of cell wall mucopeptides. It is used to cure infection of upper and lower respiratory tract; skin and soft tissue; urinary tract and acute uncomplicated gonococcal urethritis etc.","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For infections at the following sites: upper and lower respiratory tract; skin and soft tissue; urinary tract and acute uncomplicated gonococcal urethritis, when due to sensitive strains of the following organisms: Gram-positive: streptococci (including \u003ci\u003eS. faecalis\u003c/i\u003e and \u003ci\u003eS. pneumoniae\u003c/i\u003e) and nonpenicillinase-producing staphylococci; Gram-negative: \u003ci\u003eH. influenzae\u003c/i\u003e, \u003ci\u003eN. gonorrhoeae\u003c/i\u003e, \u003ci\u003eE. coli\u003c/i\u003e, \u003ci\u003eP. mirabilis\u003c/i\u003e, \u003ci\u003eSalmonellae\u003c/i\u003e and \u003ci\u003eShigellae\u003c/i\u003e.","Toxicity":"","MechanismOfAction":"During absorption from the gastrointestinal tract, bacampicillin is hydrolyzed by esterases present in the intestinal wall. It is microbiologically active as ampicillin, and exerts a bactericidal action through the inhibition of the biosynthesis of cell wall mucopeptides.","Pharmacodynamics":"Bacampicillin is a prodrug of ampicillin and is microbiologically inactive.","Absorption":"Absorbed following oral administration.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00759"}],"Salts":[{"ID":"DBSALT000831","Name":"Bacampicillin Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01603","Name":"Meticillin","DrugType":"small molecule","HalfLife":"25-60 minutes","Description":"One of the penicillins which is resistant to penicillinase but susceptible to a penicillin-binding protein. It is inactivated by gastric acid so administered by injection. [PubChem]","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used to treat infections caused by susceptible Gram-positive bacteria, particularly beta-lactamase-producing organisms such as \u003ci\u003eStaphylococcus aureus\u003c/i\u003e that would otherwise be resistant to most penicillins.","Toxicity":"","MechanismOfAction":"Like other beta-lactam antibiotics, meticillin acts by inhibiting the synthesis of bacterial cell walls. It inhibits cross-linkage between the linear peptidoglycan polymer chains that make up a major component of the cell wall of Gram-positive bacteria. It does this by binding to and competitively inhibiting the transpeptidase enzyme used by bacteria to cross-link the peptide (D-alanyl-alanine) used in peptidogylcan synthesis.","Pharmacodynamics":"Meticillin (INN, BAN) or methicillin (USAN) is a narrow spectrum beta-lactam antibiotic of the penicillin class. It is no longer clinically used. Its role in therapy has been largely replaced by flucloxacillin and dicloxacillin, however the term methicillin-resistant \u003ci\u003eStaphylococcus aureus\u003c/i\u003e (MRSA) continues to be used to describe \u003ci\u003eStaphylococcus aureus\u003c/i\u003e strains resistant to all penicillins.","Absorption":"Not absorbed following oral administration.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01604","Name":"Pivampicillin","DrugType":"small molecule","HalfLife":"Approximately 1 hour.","Description":"Pivalate ester analog of ampicillin.","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"or the treatment of respiratory tract infections (including acute bronchitis, acute exacerbations of chronic bronchitis and pneumonia); ear, nose and throat infections; gynecological infections; urinary tract infections (including acute uncomplicated gonococcal urethritis) when caused by non penicillinase-producing susceptible strains of the following organisms: gram-positive organisms, e.g., streptococci, pneumococci and staphylococci; gram-negative organisms, e.g., H. influenzae, N. gonorrhoeae, E. coli, P. mirabilis. ","Toxicity":"","MechanismOfAction":"Ampicillin (the active metabolite of pivampicillin) has a bactericidal action resulting from inhibition of cell wall mucopeptide biosynthesis.","Pharmacodynamics":"Pivampicillin is the pivaloyloxymethyl ester of (the semi-synthetic penicillin) ampicillin. It is an inactive pro-drug, which is converted during its absorption from the gastrointestinal tract to the microbiologically active ampicillin, together with formaldehyde and pivalic acid, by non-specific esterases present in most body tissues. Amounts in excess of 99% of the pivampicillin absorbed are converted to ampicillin within 15 minutes of absorption.","Absorption":"Absorbed following oral administration.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01357"},{"ID":"DB00931"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01605","Name":"Pivmecillinam","DrugType":"small molecule","HalfLife":"","Description":"Pivmecillinam is a mecillinam prodrug, a pivaloyloxymethyl ester of amdinocillin that is well absorbed orally, but broken down to amdinocillin in the intestinal mucosa. It is active against gram-negative organisms and used as for amdinocillin. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used to treat infections due to mecillinam-sensitive organisms such as urinary tract infections, salmonellosis and typhoid fever.","Toxicity":"","MechanismOfAction":"Pivmecillinam interferes with the biosynthesis of the bacterial cell wall however its activity is slightly different from that of other penicillins and cephalosporins","Pharmacodynamics":"Pivmecillinam is a pivaloyloxymethyl ester of amdinocillin that is well absorbed orally, but broken down to amdinocillin in the intestinal mucosa. It is active against gram-negative organisms and used as for amdinocillin.","Absorption":"Well absorbed following oral administration.","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00931"},{"ID":"DB01017"},{"ID":"DB00595"},{"ID":"DB01301"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01606","Name":"Tazobactam","DrugType":"small molecule","HalfLife":"","Description":"Tazobactam is a antibacterial penicillin derivative which inhibits the action of bacterial beta-lactamases.","Classification":{"Description":"This compound belongs to the penams. These are an organic heterocyclic compound containing the 4-thia-1-azabicyclo[3.2.0]heptan-7-one structure.","DirectParent":"Penams","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Used in combination with piperacillin to broaden the spectrum of piperacillin antibacterial action.","Toxicity":"","MechanismOfAction":"Tazobactam broadens the spectrum of piperacillin by making it effective against organisms that express beta-lactamase and would normally degrade piperacillin. ","Pharmacodynamics":"Tazobactam is a compound which inhibits the action of bacterial beta-lactamases. It is added to the extended spectrum beta-lactam antibiotic piperacillin.","Absorption":"","Interactions":[{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB01017"},{"ID":"DB00759"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01607","Name":"Ticarcillin","DrugType":"small molecule","HalfLife":"1.1 hours","Description":"An antibiotic derived from penicillin similar to carbenicillin in action.","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of bacterial infections.","Toxicity":"As with other penicillins, neurotoxic reactions may arise when very high doses of ticarcillin are administered, especially in patients with impaired renal function. ","MechanismOfAction":"Ticarcillin's antibiotic properties arise from its ability to prevent cross-linking of peptidoglycan during cell wall synthesis when the bacteria tries to divide, causing death.","Pharmacodynamics":"Ticarcillin is a semisynthetic antibiotic with a broad spectrum of bactericidal activity against many gram-positive and gram-negative aerobic and anaerobic bacteria. Ticarcillin is, however, susceptible to degradation by ß-lactamases, and therefore, the spectrum of activity does not normally include organisms which produce these enzymes.","Absorption":"","Interactions":[{"ID":"DB00479"},{"ID":"DB00618"},{"ID":"DB00254"},{"ID":"DB00977"},{"ID":"DB02703"},{"ID":"DB00798"},{"ID":"DB01172"},{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00994"},{"ID":"DB00595"},{"ID":"DB01082"},{"ID":"DB00759"},{"ID":"DB00684"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01608","Name":"Propericiazine","DrugType":"small molecule","HalfLife":"","Description":"Propericiazine is a phenothiazine of the piperidine group. It has been shown to reduce pathologic arousal and affective tension in some psychotic patients, while the symptoms of abnormal mental integration are relatively unaffected. It is a sedative phenothiazine with weak antipsychotic properties. It also has adrenolytic, anticholinergic, metabolic and endocrine effects and an action on the extrapyramidal system. It is used as an adjunctive medication in some psychotic patients, for the control of residual prevailing hostility, impulsiveness and aggressiveness. Pericyazine, like other phenothiazines, is presumed to act principally in the subcortical areas, by producing what has been described as a central adrenergic blockade. \r\n\r\n\r\n","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For use as adjunctive medication in some psychotic patients. Propericiazine (Pericyazine)is used for the control of residual prevailing hostility, impulsiveness and aggressiveness. ","Toxicity":"In milder cases of phenothiazine overdosage the patient may be agitated, delirious and confused. Frequently he is lethargic or in a comatose state. Twitching, dystonic movements or convulsions may be present and hypotension, cardiovascular collapse, arrhythmias and hypothermia might be observed.","MechanismOfAction":"Pericyazine, like other phenothiazines, is presumed to act principally in the subcortical areas, by producing what has been described as a central adrenergic blockade of the alpha adrenergic receptors as well as antagonism of the D(1) dopamine receptor.","Pharmacodynamics":"Pericyazine is a phenothiazine of the piperidine group. It has been shown to reduce pathologic arousal and affective tension in some psychotic patients, while the symptoms of abnormal mental integration are relatively unaffected. It is a sedative phenothiazine with weak antipsychotic properties. It also has adrenolytic, anticholinergic, metabolic and endocrine effects, and an action on the extrapyramidal system.","Absorption":"","Interactions":[{"ID":"DB00182"},{"ID":"DB00865"},{"ID":"DB01191"},{"ID":"DB01576"},{"ID":"DB00937"},{"ID":"DB00843"},{"ID":"DB00574"},{"ID":"DB00674"},{"ID":"DB01170"},{"ID":"DB00579"},{"ID":"DB01577"},{"ID":"DB01578"},{"ID":"DB01579"},{"ID":"DB00830"},{"ID":"DB00191"},{"ID":"DB00397"},{"ID":"DB00989"},{"ID":"DB00342"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01609","Name":"Deferasirox","DrugType":"small molecule","HalfLife":"The mean elimination half-life ranged from 8 to 16 hours following oral administration.","Description":"Deferasirox is an oral iron chelator. Its main use is to reduce chronic iron overload in patients who are receiving long term blood transfusions for conditions such as beta-thalassemia and other chronic anemias. It is the first oral medication approved in the USA for this purpose.","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"For the treatment of chronic iron overload due to blood transfusions (transfusional hemosiderosis) in patients 2 years of age and older.","Toxicity":"","MechanismOfAction":"Two molecules of deferasirox are capable of binding to 1 atom of iron. Deferasirox works in treating iron toxicity by binding trivalent (ferric) iron (for which it has a strong affinity), forming a stable complex which is eliminated via the kidneys.","Pharmacodynamics":"Deferasirox is an orally active chelator that is selective for iron (as Fe3+). It is a tridentate ligand that binds iron with high affinity in a 2:1 ratio. Although deferasirox has very low affinity for zinc and copper there are variable decreases in the serum concentration of these trace metals after the administration of deferasirox. The clinical significance of these decreases is uncertain.","Absorption":"The absolute bioavailability (AUC) of deferasirox tablets for oral suspension is 70% compared to an intravenous dose.","Interactions":[{"ID":"DB01370"},{"ID":"DB00006"},{"ID":"DB06414"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01610","Name":"Valganciclovir","DrugType":"small molecule","HalfLife":"Approximately 4.08 hours. Increased in patients with renal function impairment.","Description":"Valganciclovir hydrochloride (Valcyte, manufactured by Roche) is an antiviral medication used to treat cytomegalovirus infections. As the L-valyl ester of ganciclovir, it is actually a prodrug for ganciclovir. After oral administration, it is rapidly converted to ganciclovir by intestinal and hepatic esterases.","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Valganciclovir is an antiviral medication used for the treatment of cytomegalovirus infections.","Toxicity":"It is expected that an overdose of valganciclovir could also possibly result in increased renal toxicity.","MechanismOfAction":"Valganciclovir is a prodrug of ganciclovir that exists as a mixture of two diastereomers. After administration, these diastereomers are rapidly converted to ganciclovir by hepatic and intestinal esterases. In cytomegalovirus (CMV)-infected cells, ganciclovir is initially phosphorylated to the monophosphate form by viral protein kinase, then it is further phosphorylated via cellular kinases to produce the triphosphate form. This triphosphate form is slowly metabolized intracellularly. The phosphorylation is dependent upon the viral kinase and occurs preferentially in virus-infected cells. The virustatic activity of ganciclovir is due to the inhibition of viral DNA synthesis by ganciclovir triphosphate. Ganciclovir triphosphate is incorporated into the DNA strand replacing many of the adenosine bases. This results in the prevention of DNA synthesis, as phosphodiester bridges can longer to be built, destabilizing the strand. Ganciclovir inhibits viral DNA polymerases more effectively than it does cellular polymerase, and chain elongation resumes when ganciclovir is removed.","Pharmacodynamics":"Valganciclovir is an antiviral medication used to treat cytomegalovirus infections. As the L-valyl ester of ganciclovir, it is actually a prodrug for ganciclovir. After oral administration, it is rapidly converted to ganciclovir by intestinal and hepatic esterases. After this, it (being an analogue of guanosine) gets incorporated into DNA and thus cannot be properly read by DNA polymerase. This results in the termination of the elongation of viral DNA.","Absorption":"Valganciclovir is well absorbed from the gastrointestinal tract and the absolute bioavailability from valganciclovir tablets (following administration with food) is approximately 60%.","Interactions":[{"ID":"DB01048"},{"ID":"DB00718"},{"ID":"DB01597"},{"ID":"DB00900"},{"ID":"DB00879"},{"ID":"DB01598"},{"ID":"DB00709"},{"ID":"DB00688"},{"ID":"DB01024"},{"ID":"DB01032"},{"ID":"DB00300"},{"ID":"DB00495"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01611","Name":"Hydroxychloroquine","DrugType":"small molecule","HalfLife":"Terminal elimination half-life In blood is approximately 50 days. In plasma it is approximately 32 days.","Description":"A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites.","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"For the suppressive treatment and treatment of acute attacks of malaria due to \u003ci\u003ePlasmodium vivax\u003c/i\u003e, \u003ci\u003eP. malariae\u003c/i\u003e, \u003ci\u003eP. ovale\u003c/i\u003e, and susceptible strains of \u003ci\u003eP. falciparum\u003c/i\u003e. It is also indicated for the treatment of discoid and systemic lupus erythematosus, and rheumatoid arthritis.","Toxicity":"Symptoms of overdose include headache, drowsiness, visual disturbances, cardiovascular collapse, and convulsions, followed by sudden and early respiratory and cardiac arrest. The electrocardiogram may reveal atrial standstill, nodal rhythm, prolonged intraventricular conduction time, and progressive bradycardia leading to ventricular fibrillation and/or arrest. ","MechanismOfAction":"Although the exact mechanism of action is unknown, it may be based on ability of hydroxychloroquine to bind to and alter DNA. Hydroxychloroquine has also has been found to be taken up into the acidic food vacuoles of the parasite in the erythrocyte. This increases the pH of the acid vesicles, interfering with vesicle functions and possibly inhibiting phospholipid metabolism. In suppressive treatment, hydroxychloroquine inhibits the erythrocytic stage of development of plasmodia. In acute attacks of malaria, it interrupts erythrocytic schizogony of the parasite. Its ability to concentrate in parasitized erythrocytes may account for their selective toxicity against the erythrocytic stages of plasmodial infection. As an antirheumatic, hydroxychloroquine is thought to act as a mild immunosuppressant, inhibiting the production of rheumatoid factor and acute phase reactants. It also accumulates in white blood cells, stabilizing lysosomal membranes and inhibiting the activity of many enzymes, including collagenase and the proteases that cause cartilage breakdown.","Pharmacodynamics":"Hydroxychloroquine possesses antimalarial properties and also exerts a beneficial effect in lupus erythematosus (chronic discoid or systemic) and acute or chronic rheumatoid arthritis. The precise mechanism of action is not known.","Absorption":"Very rapidly and completely absorbed following oral administration.","Interactions":[{"ID":"DB06697"},{"ID":"DB00390"},{"ID":"DB06708"},{"ID":"DB00563"},{"ID":"DB06372"}],"Salts":[{"ID":"DBSALT000096","Name":"Hydroxychloroquine sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01612","Name":"Amyl Nitrite","DrugType":"small molecule","HalfLife":"","Description":"Amyl Nitrite is an antihypertensive medicine. Amyl nitrite is employed medically to treat heart diseases such as angina and to treat cyanide poisoning. Like other alkyl nitrites, amyl nitrite is bioactive in mammals, being a vasodilator which is the basis of its use as a prescription medicine. As an inhalant, it also has psychoactive effect which has led to illegal drug use.","Classification":{"Description":"This compound belongs to the organic nitrites. These are organic compounds containing the nitrite oxoanion, with the formula NO2-.","DirectParent":"Organic Nitrites","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Nitrites"},"Indication":"For the rapid relief of angina pectoris.","Toxicity":"Overdose symptoms include nausea, emesis (vomiting), hypotension, hypoventilation, dyspnea (shortness of breath), and syncope (fainting)","MechanismOfAction":"Amyl nitrite's antianginal action is thought to be the result of a reduction in systemic and pulmonary arterial pressure (afterload) and decreased cardiac output because of peripheral vasodilation, rather than coronary artery dilation. Amyl nitrite is a source of nitric acid, which accounts for the mechanism described above. As an antidote (to cyanide poisoning), amyl nitrite promotes formation of methemoglobin, which combines with cyanide to form nontoxic cyanmethemoglobin.","Pharmacodynamics":"Amyl nitrite, in common with other alkyl nitrites, is a potent vasodilator. It expands blood vessels, resulting in lowering of the blood pressure. Alkyl nitrite functions as a source of nitric oxide, which signals for relaxation of the involuntary muscles. Physical effects include decrease in blood pressure, headache, flushing of the face, increased heart rate, dizziness, and relaxation of involuntary muscles, especially the blood vessel walls and the anal sphincter. There are no withdrawal symptoms.","Absorption":"Amyl nitrite vapors are absorbed rapidly through the pulmonary alveoli, manifesting therapeutic effects within one minute after inhalation.","Interactions":[{"ID":"DB00320"},{"ID":"DB00696"},{"ID":"DB00247"},{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01613","Name":"Erythrityl Tetranitrate","DrugType":"small molecule","HalfLife":"","Description":"A vasodilator with general properties similar to nitroglycerin. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1020)","Classification":{"Description":"This compound belongs to the organic nitrates. These are organic compounds containing the nitrate oxoanion, with the formula NO3-.","DirectParent":"Organic Nitrates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Nitrates"},"Indication":"For the prevention of angina.","Toxicity":"Symptoms of overdose include increased intracranial pressure, with any or all of persistent throbbing headache, confusion, and moderate fever; Vertigo; Palpitations; Visual disturbances; Nausea and vomiting (possibly with colic and even bloody diarrhea); Syncope (especially in the upright posture); Air hunger and dyspnea, later followed by reduced ventilatory effort; Diaphoresis, with the skin either flushed or cold and clammy; Heart block and bradycardia; Paralysis; Coma; Seizures; Death.","MechanismOfAction":"Similar to other nitrites and organic nitrates, erythrityl tetranitrate is converted to an active intermediate compound which activates the enzyme guanylate cyclase. This stimulates the synthesis of cyclic guanosine 3',5'-monophosphate (cGMP) which then activates a series of protein kinase-dependent phosphorylations in the smooth muscle cells, eventually resulting in the dephosphorylation of the myosin light chain of the smooth muscle fiber. The subsequent release of calcium ions results in the relaxation of the smooth muscle cells and vasodilation.","Pharmacodynamics":"Erythrityl Tetranitrate is a vasodilator with general properties similar to nitroglycerin.","Absorption":"","Interactions":[{"ID":"DB00320"},{"ID":"DB00696"},{"ID":"DB00247"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01614","Name":"Acepromazine","DrugType":"small molecule","HalfLife":"3 hours in horses.","Description":"Acepromazine is one of the phenothiazine derivative psychotropic drugs, used little in humans, however frequently in animals as a sedative and antiemetic.","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Acepromazine was first used in humans in the 1950s as an antipsychotic agent. It is now rarely used in humans. Acepromazine is frequently used in animals as a sedative and antiemetic. Its principal value is in quietening and calming anxious animals.","Toxicity":"Agitation, coma, convulsions, difficulty breathing, difficulty swallowing, dry mouth, extreme sleepiness, fever, intestinal blockage, irregular heart rate, low blood pressure, restlessness","MechanismOfAction":"Acepromazine acts as an antagonist (blocking agent) on different postsysnaptic receptors -on dopaminergic-receptors (subtypes D1, D2, D3 and D4 - different antipsychotic properties on productive and unproductive symptoms), on serotonergic-receptors (5-HT1 and 5-HT2, with anxiolytic, antidepressive and antiaggressive properties as well as an attenuation of extrapypramidal side-effects, but also leading to weight gain, fall in blood pressure, sedation and ejaculation difficulties), on histaminergic-receptors (H1-receptors, sedation, antiemesis, vertigo, fall in blood pressure and weight gain), alpha1/alpha2-receptors (antisympathomimetic properties, lowering of blood pressure, reflex tachycardia, vertigo, sedation, hypersalivation and incontinence as well as sexual dysfunction, but may also attenuate pseudoparkinsonism - controversial) and finally on muscarinic (cholinergic) M1/M2-receptors (causing anticholinergic symptoms like dry mouth, blurred vision, obstipation, difficulty/inability to urinate, sinus tachycardia, ECG-changes and loss of memory, but the anticholinergic action may attenuate extrapyramidal side-effects).","Pharmacodynamics":"Acepromazine is one of the phenothiazine derivative psychotropic drugs. Acepromazine has actions at all levels of the central nervous system-primarily at subcortical levels-as well as on multiple organ systems. Acepromazine has strong antiadrenergic and weaker peripheral anticholinergic activity; ganglionic blocking action is relatively slight. It also possesses slight antihistaminic and antiserotonin activity.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01615","Name":"Aceprometazine","DrugType":"small molecule","HalfLife":"","Description":"Aceprometazine (INN) is a prescription drug with neuroleptic and anti-histamine properties. It is not widely prescribed. It may be used in combination with meprobamate for the treatment of sleep disorders. This combination is available in France under the trade name Mepronizine. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"Aceprometazine is often used in combination with meprobamate for the treatment of sleep disorders.","Toxicity":"","MechanismOfAction":"Aceprometazine, acting as an H1-receptor antagonist can induce sedation by being able to cross the blood-brain-barrier and binding to H1-receptors in the central nervous system.","Pharmacodynamics":"Aceprometazine is a drug with neuroleptic and anti-histamine properties. It is not widely prescribed.","Absorption":"Rapidly absorbed following oral administration.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01616","Name":"Alverine","DrugType":"small molecule","HalfLife":"The plasma half-life averages 0.8 hours for alverine and 5.7 hours for the active primary metabolite.","Description":"Alverine is a smooth muscle relaxant. Smooth muscle is a type of muscle that is not under voluntary control; it is the muscle present in places such as the gut and uterus. Alverine acts directly on the muscle in the gut, causing it to relax. This prevents the muscle spasms which occur in the gut in conditions such as irritable bowel syndrome and diverticular disease. It is used to relieve cramps or spasms of the stomach and intestines. It is also useful in treating irritable bowel syndrome (IBS) and similar conditions. It can also be used to help relieve period pain. Alverine is formulated as the citrate salt (5982-87-6).","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Used to relieve cramps or spasms of the stomach and intestines. It is also useful in treating irritable bowel syndrome (IBS) and similar conditions. It can also be used to help relieve period pain. Alverine citrate is also under investigation to increase the cytotoxic effects of the proteasome inhibitor MG132 on breast cancer cells. ","Toxicity":"Can produce hypotension and atropine-like toxic effects. Fatality has occurred following overdose with very high doses.","MechanismOfAction":"","Pharmacodynamics":"Alverine is a smooth muscle relaxant. Smooth muscle is a type of muscle that is not under voluntary control; it is the muscle present in places such as the gut and uterus. Alverine acts directly on the muscle in the gut, causing it to relax. This prevents the muscle spasms which occur in the gut in conditions such as irritable bowel syndrome and diverticular disease. Diverticular disease is a condition in which small pouches form in the gut lining. These pouches can trap particles of food and become inflamed and painful. In irritable bowel syndrome the normal activity of the gut muscle is lost. The muscle spasms result in symptoms such as heartburn, abdominal pain and bloating, constipation or diarrhoea. By relaxing the gut muscle, alverine citrate relieves the symptoms of this condition. Alverine also relaxes the smooth muscle in the womb (uterus). It is therefore also used to treat painful menstruation, which is caused by muscle spasms in the uterus (dysmenorrhea).","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"}],"Salts":[{"ID":"DBSALT000008","Name":"Alverine citrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01618","Name":"Molindone","DrugType":"small molecule","HalfLife":"","Description":"An indole derivative effective in schizophrenia and other psychoses and possibly useful in the treatment of the aggressive type of undersocialized conduct disorder. Molindone has much lower affinity for D2 receptors than most antipsychotic agents and has a relatively low affinity for D1 receptors. It has only low to moderate affinity for cholinergic and alpha-adrenergic receptors. Some electrophysiologic data from animals indicate that molindone has certain characteristics that resemble those of clozapine. (From AMA Drug Evaluations Annual, 1994, p283)","Classification":{"Description":"This compound belongs to the indoles and derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":""},"Indication":"Molindone is used for the management of the manifestations of psychotic disorders.","Toxicity":"","MechanismOfAction":"The exact mechanism has not been established, however, based on electroencephalogram (EEG) studies, molindone is thought to act by occupying (antagonizing) dopamine (D2) receptor sites in the reticular limbic systems in the brain, thus decreasing dopamine activity. Decreased dopamine activity results in decreased physiological effects normally induced by excessive dopamine stimulation, such as those typically seen in manifestations of psychotic disorders.","Pharmacodynamics":"Molindone is a dihydroindolone compound which is not structurally related to the phenothiazines, the butyrophenones, or the thioxanthenes. Molindone has a pharmacological profile in laboratory animals which predominantly resembles that of major tranquilizers causing reduction of spontaneous locomotion and aggressiveness, suppression of a conditioned response and antagonism of the bizarre stereotyped behavior and hyperactivity induced by amphetamines. In addition, molindone antagonizes the depression caused by the tranquilizing agent tetrabenazine.","Absorption":"Rapidly absorbed from the gastrointestinal tract following oral administration.","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00382"},{"ID":"DB04844"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01619","Name":"Phenindamine","DrugType":"small molecule","HalfLife":"","Description":"Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Antihistamines such as phenindamine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. It is used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold.\r\nSymptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures.\r\n","Classification":{"Description":"This compound belongs to the indenes and isoindenes. These are compounds conaining an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohezadiene ring).","DirectParent":"Indenes and Isoindenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indenes and Isoindenes","SubClass":""},"Indication":"Used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold.","Toxicity":"Symptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures.","MechanismOfAction":"Antihistamines such as phenindamine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release.","Pharmacodynamics":"Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Allergies are caused by an excessive type 1 hypersensitivity response of the body to allergens, mediated by inappropriate histamine signalling. By inhibiting the binding of histamine, antihistamines decrease the normal histamine response from cells, consequently decreasing allergic symptoms.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01620","Name":"Pheniramine","DrugType":"small molecule","HalfLife":"","Description":"One of the histamine H1 antagonists with little sedative action. It is used in treatment of hay fever, rhinitis, allergic dermatoses, and pruritus. [PubChem]","Classification":{"Description":"This compound belongs to the pheniramines. These are compounds containing a pheniramine moiety, which is structurally characterized by the presence of a 2-benzylpyridine linked to an dimethyl(propyl)amine to form a dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine skeleton.","DirectParent":"Pheniramines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pheniramines"},"Indication":"Pheniramine is an antihistamine used to treat allergic conditions such as hay fever or urticaria.","Toxicity":"","MechanismOfAction":"Antihistamines such as pheniramine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. Antihistamines suppress the histamine-induced wheal (swelling) and flare (vasodilation) response by blocking the binding of histamine to its receptors on nerves, vascular smooth muscle, glandular cells, endothelium, and mast cells. They effectively exert competitive antagonism of histamine for H1-receptors.","Pharmacodynamics":"Pheniramine is an antihistamine used to treat allergic conditions such as hay fever or urticaria. It is generally sold in combination with other medications, rather than as a stand-alone drug. Allergies are caused by an excessive type 1 hypersensitivity response of the body to allergens, mediated by inappropriate histamine signalling. By inhibiting the binding of histamine, antihistamines decrease the normal histamine response from cells, consequently decreasing allergic symptoms.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01621","Name":"Pipotiazine","DrugType":"small molecule","HalfLife":"","Description":"Pipotiazine has actions similar to those of other phenothiazines. Among the different phenothiazine derivatives, it appears to be less sedating and to have a weak propensity for causing hypotension or potentiating the effects of CNS depressants and anesthetics. However, it produces a high incidence of extra pyramidal reactions. It is used for the maintenance treatment of chronic non-agitated schizophrenic patients. Symptoms of overdose include severe extrapyramidal manifestations, hypotension, lethargy and sedation.","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the maintenance treatment of chronic non-agitated schizophrenic patients.","Toxicity":"Symptoms of overdose include severe extrapyramidal manifestations, hypotension, lethargy and sedation.","MechanismOfAction":"Pipotiazine acts as an antagonist (blocking agent) on different postsysnaptic receptors -on dopaminergic-receptors (subtypes D1, D2, D3 and D4 - different antipsychotic properties on productive and unproductive symptoms), on serotonergic-receptors (5-HT1 and 5-HT2, with anxiolytic, antidepressive and antiaggressive properties as well as an attenuation of extrapypramidal side-effects, but also leading to weight gain, fall in blood pressure, sedation and ejaculation difficulties), on histaminergic-receptors (H1-receptors, sedation, antiemesis, vertigo, fall in blood pressure and weight gain), alpha1/alpha2-receptors (antisympathomimetic properties, lowering of blood pressure, reflex tachycardia, vertigo, sedation, hypersalivation and incontinence as well as sexual dysfunction, but may also attenuate pseudoparkinsonism - controversial) and finally on muscarinic (cholinergic) M1/M2-receptors (causing anticholinergic symptoms like dry mouth, blurred vision, obstipation, difficulty/inability to urinate, sinus tachycardia, ECG-changes and loss of memory, but the anticholinergic action may attenuate extrapyramidal side-effects).\r\n","Pharmacodynamics":"Pipotiazine has actions similar to those of other phenothiazines. Among the different phenothiazine derivatives, it appears to be less sedating and to have a weak propensity for causing hypotension or potentiating the effects of CNS depressants and anesthetics. However, it produces a high incidence of extra pyramidal reactions. It reduces activity of dopamine receptors in the limbic system. Its 5-HT antagonism helps normalize dopamine activity in the cortical regions.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00427"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01622","Name":"Thioproperazine","DrugType":"small molecule","HalfLife":"","Description":"Thioproperazine is a potent neuroleptic with antipsychotic properties. Thioproperazine has a marked cataleptic and antiapomorphine activity associated with relatively slight sedative, hypothermic and spasmolytic effects. It is virtually without antiserotonin and hypotensive action and has no antihistaminic property. It is used for the treatment of all types of acute and chronic schizophrenia, including those which did not respond to the usual neuroleptics; manic syndromes.\r\nOverdosage may result in severe extrapyramidal symptoms with dysphagia, marked sialorrhea, persistent and rapidly increasing hyperthermia, pulmonary syndrome, state of shock with pallor and profuse sweating, which may be followed by collapse and coma. LD50 in mice is 70 mg/kg I.V., 120 mg/kg I.P., 500 mg/kg S.C. and 830 mg/kg P.O.\r\n","Classification":{"Description":"This compound belongs to the phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.","DirectParent":"Phenothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":"Phenothiazines"},"Indication":"For the treatment of all types of acute and chronic schizophrenia, including those which did not respond to the usual neuroleptics; manic syndromes.","Toxicity":"Overdosage may result in severe extrapyramidal symptoms with dysphagia, marked sialorrhea, persistent and rapidly increasing hyperthermia, pulmonary syndrome, state of shock with pallor and profuse sweating, which may be followed by collapse and coma. LD50 in mice is 70 mg/kg I.V., 120 mg/kg I.P., 500 mg/kg S.C. and 830 mg/kg P.O.","MechanismOfAction":"Thioproperazine acts as an antagonist (blocking agent) on different postsysnaptic receptors -on dopaminergic-receptors (subtypes D1, D2, D3 and D4 - different antipsychotic properties on productive and unproductive symptoms), on serotonergic-receptors (5-HT1 and 5-HT2, with anxiolytic, antidepressive and antiaggressive properties as well as an attenuation of extrapypramidal side-effects, but also leading to weight gain, fall in blood pressure, sedation and ejaculation difficulties), on histaminergic-receptors (H1-receptors, sedation, antiemesis, vertigo, fall in blood pressure and weight gain), alpha1/alpha2-receptors (antisympathomimetic properties, lowering of blood pressure, reflex tachycardia, vertigo, sedation, hypersalivation and incontinence as well as sexual dysfunction, but may also attenuate pseudoparkinsonism - controversial) and finally on muscarinic (cholinergic) M1/M2-receptors (causing anticholinergic symptoms like dry mouth, blurred vision, obstipation, difficulty/inability to urinate, sinus tachycardia, ECG-changes and loss of memory, but the anticholinergic action may attenuate extrapyramidal side-effects).","Pharmacodynamics":"Thioproperazine is a potent neuroleptic with antipsychotic properties. Thioproperazine has a marked cataleptic and antiapomorphine activity associated with relatively slight sedative, hypothermic and spasmolytic effects. It is virtually without antiserotonin and hypotensive action and has no antihistaminic property.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00989"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01623","Name":"Thiothixene","DrugType":"small molecule","HalfLife":"10-20 hours","Description":"A thioxanthine used as an antipsychotic agent. Its effects are similar to the phenothiazine antipsychotics. [PubChem]","Classification":{"Description":"This compound belongs to the thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.","DirectParent":"Thioxanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Thioxanthenes"},"Indication":"For the management of schizophrenia.","Toxicity":"Symptoms of overdose include central nervous system depression, coma, difficulty swallowing, dizziness, drowsiness, head tilted to the side, low blood pressure, muscle twitching, rigid muscles, salivation, tremors, walking disturbances, and weakness.","MechanismOfAction":"Thiothixene acts as an antagonist (blocking agent) on different postsysnaptic receptors -on dopaminergic-receptors (subtypes D1, D2, D3 and D4 - different antipsychotic properties on productive and unproductive symptoms), on serotonergic-receptors (5-HT1 and 5-HT2, with anxiolytic, antidepressive and antiaggressive properties as well as an attenuation of extrapypramidal side-effects, but also leading to weight gain, fall in blood pressure, sedation and ejaculation difficulties), on histaminergic-receptors (H1-receptors, sedation, antiemesis, vertigo, fall in blood pressure and weight gain), alpha1/alpha2-receptors (antisympathomimetic properties, lowering of blood pressure, reflex tachycardia, vertigo, sedation, hypersalivation and incontinence as well as sexual dysfunction, but may also attenuate pseudoparkinsonism - controversial) and finally on muscarinic (cholinergic) M1/M2-receptors (causing anticholinergic symptoms like dry mouth, blurred vision, obstipation, difficulty/inability to urinate, sinus tachycardia, ECG-changes and loss of memory, but the anticholinergic action may attenuate extrapyramidal side-effects).","Pharmacodynamics":"Thiothixene is an antipsychotic of the thioxanthene series. Navane possesses certain chemical and pharmacological similarities to the piperazine phenothiazines and differences from the aliphatic group of phenothiazines. Although widely used in the treatment of schizophrenia for several decades, thiothixene is seldom used today in favor of atypical antipsychotics such as risperidone.","Absorption":"","Interactions":[{"ID":"DB00106"},{"ID":"DB00915"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00714"},{"ID":"DB01169"},{"ID":"DB06697"},{"ID":"DB01200"},{"ID":"DB00477"},{"ID":"DB00537"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB01254"},{"ID":"DB01151"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00757"},{"ID":"DB01184"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB00450"},{"ID":"DB00199"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00176"},{"ID":"DB00529"},{"ID":"DB00674"},{"ID":"DB01044"},{"ID":"DB01170"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB00308"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00270"},{"ID":"DB01026"},{"ID":"DB01235"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB00281"},{"ID":"DB00408"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00358"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB00553"},{"ID":"DB00379"},{"ID":"DB00218"},{"ID":"DB04868"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00104"},{"ID":"DB01165"},{"ID":"DB00738"},{"ID":"DB00556"},{"ID":"DB01186"},{"ID":"DB01100"},{"ID":"DB00413"},{"ID":"DB01278"},{"ID":"DB01087"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB00734"},{"ID":"DB00268"},{"ID":"DB05271"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB01268"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB04844"},{"ID":"DB00730"},{"ID":"DB00679"},{"ID":"DB00539"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01624","Name":"Zuclopenthixol","DrugType":"small molecule","HalfLife":"20 hours (range 12-28 hours) for the tablet form, 19 days for the depot form.","Description":"Zuclopenthixol, also known as Zuclopentixol or Zuclopenthixolum, is an antipsychotic agent. Zuclopenthixol is a thioxanthene-based neuroleptic with therapeutic actions similar to the phenothiazine antipsychotics. It is an antagonist at D1 and D2 dopamine receptors. Major brands of zuclopenthixol are Cisordinol, Acuphase, and Clopixol. This drug is a liquid. This compound belongs to the thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom. Known drug targets of zuclopenthixol include 5-hydroxytryptamine receptor 2A, D(1B) dopamine receptor, D(2) dopamine receptor, D(1A) dopamine receptor, and alpha-1A adrenergic receptor. It is known that zuclopenthixol is metabolized by Cytochrome P450 2D6. Zuclopenthixol was approved for use in Canada in 2011, but is not approved for use in the United States.","Classification":{"Description":"This compound belongs to the thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.","DirectParent":"Thioxanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Thioxanthenes"},"Indication":"Used in the management of acute psychoses such as mania or schizophrenia. However, the use of zuclopenthixol acetate in psychiatric emergencies as an alternative to standard treatments (haloperidol, clotiapine, etc.) should be cautioned, since well executed and documented trials of zuclopenthixol acetate for this use have yet to be conducted. Zuclopenthixol acetate is not intended for long-term use.","Toxicity":"Although there have not been any cases of overdosage reported, the symptoms are likely to be somnolence, coma, extrapyramidal symptoms, convulsions, hypotension, shock, or hyper- or hypothermia.\r\n\r\nNeuroleptic malignant syndrome may occur. Zuclopenthixol may potentiate anticholinergic effects of concurrent medications. Zuclopenthixol has a demonstrated antiemetic effect in animals, and may mask signs of toxicity due to other drug overdoses, or may mask symptoms of disease.","MechanismOfAction":"Zuclopenthixol is a typical antipsychotic neuroleptic drug of the thioxanthene class. It mainly acts by antagonism of D1 and D2 dopamine receptors. Zuclopenthixol also has high affinity for alpha1-adrenergic and 5-HT2 receptors. It has weaker histamine H1 receptor blocking activity, and even lower affinity for muscarinic cholinergic and alpha2-adrenergic receptors.","Pharmacodynamics":"Zuclopenthixol is a thioxanthene with therapeutic actions similar to the phenothiazine antipsychotics. It is an antagonist at D1 and D2 dopamine receptors.","Absorption":"Upon reaching the body water phase, the decanoate ester is slowly released from the oil depot, which is resultantly hydrolyzed to the active substance, zuclopenthixol. The decanoate ester provides a means of slow release since zuclopenthixol itself is a short-acting drug. ","Interactions":[{"ID":"DB00106"},{"ID":"DB00915"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00714"},{"ID":"DB01169"},{"ID":"DB06216"},{"ID":"DB00207"},{"ID":"DB01200"},{"ID":"DB01156"},{"ID":"DB00477"},{"ID":"DB01012"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00907"},{"ID":"DB01254"},{"ID":"DB00705"},{"ID":"DB01151"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00757"},{"ID":"DB01184"},{"ID":"DB00843"},{"ID":"DB01142"},{"ID":"DB04855"},{"ID":"DB00450"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB06414"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00529"},{"ID":"DB00674"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB00308"},{"ID":"DB04946"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00270"},{"ID":"DB01235"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB01601"},{"ID":"DB00408"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00358"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB01403"},{"ID":"DB01233"},{"ID":"DB00218"},{"ID":"DB04868"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00104"},{"ID":"DB00715"},{"ID":"DB06589"},{"ID":"DB00738"},{"ID":"DB00556"},{"ID":"DB01186"},{"ID":"DB01100"},{"ID":"DB00413"},{"ID":"DB01278"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB00734"},{"ID":"DB00503"},{"ID":"DB06176"},{"ID":"DB00268"},{"ID":"DB05271"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB01268"},{"ID":"DB00382"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00662"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00209"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"}],"Salts":[{"ID":"DBSALT000545","Name":"Zuclopenthixol acetate"},{"ID":"DBSALT000787","Name":"Zuclopenthixol decanoate"},{"ID":"DBSALT000546","Name":"Zuclopenthixol dihydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB01625","Name":"Isopropamide","DrugType":"small molecule","HalfLife":"","Description":"Isopropamide iodide is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of a wide range of gastrointestinal disorders, including such conditions as peptic ulcer, gastritis, hyperchlorhydria, functional diarrhea, irritable or spastic colon, pyloroduodenal irritability, pylorospasm, acute nonspecific gastroenteritis, biliary dyskinesia and chronic cholelithiasis, duodenitis, gastrointestinal spasm; it may also be used to treat genitourinary spasm.","Toxicity":"Symptoms of overdose include dryness of mouth, dysphagia, thirst, blurred vision, dilated pupils, photophobia, fever, rapid pulse and respiration, disorientation. Depression and circulatory collapse may result from severe overdosage.","MechanismOfAction":"Anticholinergics are a class of medications that inhibit parasympathetic nerve impulses by selectively blocking the binding of the neurotransmitter acetylcholine to its receptor in nerve cells. The nerve fibers of the parasympathetic system are responsible for the involuntary movements of smooth muscles present in the gastrointestinal tract. Inhibition here decreases acidity and motility, aiding in the treatment of gastrointestinal disorders.","Pharmacodynamics":"Isopropamide is a long-acting quaternary anticholinergic drug. It is used in the treatment of peptic ulcer and other gastrointestinal disorders marked by hyperacidity and hypermotility.","Absorption":"","Interactions":[{"ID":"DB00843"},{"ID":"DB00674"},{"ID":"DB00502"}],"Salts":[{"ID":"DBSALT001023","Name":"Isopropamide iodide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01626","Name":"Pargyline","DrugType":"small molecule","HalfLife":"","Description":"A monoamine oxidase inhibitor with antihypertensive properties. [PubChem]","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"For the treatment of moderate to severe hypertension.","Toxicity":"","MechanismOfAction":"MAOIs act by inhibiting the activity of monoamine oxidase, thus preventing the breakdown of monoamine neurotransmitters and thereby increasing their availability. There are two isoforms of monoamine oxidase, MAO-A and MAO-B. MAO-A preferentially deaminates serotonin, melatonin, epinephrine and norepinephrine. MAO-B preferentially deaminates phenylethylamine and trace amines. Pargyline functions by inhibiting the metabolism of catecholamines and tyramine within presynaptic nerve terminals. Catecholamines cause general physiological changes that prepare the body for physical activity (fight-or-flight response). Some typical effects are increases in heart rate, blood pressure, blood glucose levels, and a general reaction of the sympathetic nervous system.","Pharmacodynamics":"Pargyline is a monoamine oxidase B (MAO-B) inhibitor with antihypertensive properties. Patients taking pargyline must avoid concurrent consumption of tyramine-containing foods such as bleu cheese and beer, as this can lead to a hypertensive crisis.","Absorption":"","Interactions":[{"ID":"DB00668"},{"ID":"DB01288"},{"ID":"DB01170"},{"ID":"DB01403"},{"ID":"DB04896"},{"ID":"DB00816"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB00852"},{"ID":"DB00871"}],"Salts":[{"ID":"DBSALT000304","Name":"Pargyline hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB01627","Name":"Lincomycin","DrugType":"small molecule","HalfLife":"The biological half-life after intramuscular or intravenous administration is 5.4 ± 1.0 hours. The serum half-life of lincomycin may be prolonged in patients with severe impairment of renal function compared to patients with normal renal function. In patients with abnormal hepatic function, serum half-life may be twofold longer than in patients with normal hepatic function. ","Description":"An antibiotic produced by Streptomyces lincolnensis var. lincolnensis. It has been used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Lincomycin is an antibiotic used in the treatment of staphylococcal, streptococcal, and \u003ci\u003eBacteroides fragilis\u003c/i\u003e infections.","Toxicity":"","MechanismOfAction":"Lincomycin inhibits protein synthesis in susceptible bacteria by binding to the 50 S subunits of bacterial ribosomes and preventing peptide bond formation upon transcription. It is usually considered bacteriostatic, but may be bactericidal in high concentrations or when used against highly susceptible organisms.","Pharmacodynamics":"Lincomycin is a lincosamide antibiotic that comes from the yeast \u003ci\u003eStreptomyces lincolnensis\u003c/i\u003e. Lincomycin has been shown to be active in vitro against the following microorganisms: Aerobic gram-positive cocci: \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e and \u003ci\u003eViridans group streptococci\u003c/i\u003e; Aerobic gram-positive bacilli: \u003ci\u003eCorynebacterium diphtheriae\u003c/i\u003e; Anaerobic gram-positive non-sporeforming bacilli: \u003ci\u003ePropionibacterium acnes\u003c/i\u003e; Anaerobic gram-positive sporeforming bacilli: \u003ci\u003eClostridium tetani\u003c/i\u003e and \u003ci\u003eClostridium perfringens\u003c/i\u003e.","Absorption":"Rapidly absorbed from the gastrointestinal tract following oral administration. Approximately 20 to 30% absorbed orally in fasting state; absorption decreased when taken with food.","Interactions":[{"ID":"DB01370"},{"ID":"DB00732"},{"ID":"DB01574"},{"ID":"DB01135"},{"ID":"DB00199"},{"ID":"DB01575"},{"ID":"DB01336"},{"ID":"DB01226"},{"ID":"DB01337"},{"ID":"DB01338"},{"ID":"DB00728"},{"ID":"DB00202"},{"ID":"DB01199"},{"ID":"DB01339"}],"Salts":[{"ID":"DBSALT000109","Name":"Lincomycin hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00728","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01627","DB01972","DB02431","DB03685"]}]},{"ID":"DB01628","Name":"Etoricoxib","DrugType":"small molecule","HalfLife":"22 hours","Description":"Etoricoxib is a new COX-2 selective inhibitor. Current therapeutic indications are: treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, chronic low back pain, acute pain and gout. Like any other COX-2 selective inhibitor, Etoricoxib selectively inhibits isoform 2 of cyclo-oxigenase enzyme (COX-2). This reduces the generation of prostaglandins (PGs) from arachidonic acid.","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"For the treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, chronic low back pain, acute pain and gout.","Toxicity":"This reduced activity is the cause of reduced gastrointestinal toxicity, as demonstrated in several large clinical trials performed with different COXIB (see below links on NEJM and The Lancet). Some clinical trials and meta-analysis showed that treatment with COXIB lead to increased incidence of cardiovascular adverse events compared to placebo","MechanismOfAction":"Like any other COX-2 selective inhibitor Etoricoxib selectively inhibits isoform 2 of cyclo-oxigenase enzyme (COX-2). This reduces prostaglandins (PGs) generation from arachidonic acid.","Pharmacodynamics":"Etoricoxib is a COX-2 selective inhibitor (approximately 106 times more selective for COX-2 inhibition over COX-1). Currently it is approved in more than 60 countries worldwide but not in the US, where the Food and Drug Administration (FDA) require additional safety and efficacy data for etoricoxib before it will issue approval.","Absorption":"Bioavailability is 100% following oral administration.","Interactions":[{"ID":"DB01418"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00977"},{"ID":"DB01356"},{"ID":"DB01045"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00695","Drugs":["DB00142","DB00143","DB01373","DB01593","DB01628","DB04557"]}]},{"ID":"DB01629","Name":"5-Fluorouridine","DrugType":"small molecule","HalfLife":"","Description":"5-fluorouridine is also known as FUrd, 5-Fluorouracil 1-beta-D-ribofuranoside, 5-Fur, or 5-Fluoro-uridine. 5-fluorouridine is a solid. This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar. 5-fluorouridine is known to target uridine phosphorylase. FUrd is often used in chemical and biochemical comparison studies with fluorouracil and thymine analogs.","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01630","Name":"SC-74020","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01631","Name":"Methyl Nonanoate (Ester)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty acid esters. These are carboxylic ester derivatives of a fatty acid.","DirectParent":"Fatty Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acid Esters","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01632","Name":"Alpha-Phosphoribosylpyrophosphoric Acid","DrugType":"small molecule","HalfLife":"","Description":"The key substance in the biosynthesis of histidine, tryptophan, and purine and pyrimidine nucleotides.","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01633","Name":"Deoxy-2-Fluoro-B-D-Cellotrioside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trihexoses. These are trisaccharides containing three hexose carbohydrates.","DirectParent":"Trihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Trisaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01634","Name":"2-Oxy-4-Hydroxy-5-(2-Hydrazinopyridine)Phenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01635","Name":"2,2-Dimethylthiazolidine-4-Carboxylic Acid;(Dmt)Thiazolidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01636","Name":"Clorocruoro Hem","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metalloporphyrins. These are polycyclic compounds containing a porphyrin moiety and a metal atom.","DirectParent":"Metalloporphyrins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01637","Name":"3,7,11,15-Tetramethyl-Hexadecan-1-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle.","DirectParent":"Acyclic Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01638","Name":"D-Sorbitol","DrugType":"small molecule","HalfLife":"","Description":"A polyhydric alcohol with about half the sweetness of sucrose. Sorbitol occurs naturally and is also produced synthetically from glucose. It was formerly used as a diuretic and may still be used as a laxative and in irrigating solutions for some surgical procedures. It is also used in many manufacturing processes, as a pharmaceutical aid, and in several research applications. [PubChem]","Classification":{"Description":"This compound belongs to the sugar alcohols. These are hydrogenated forms of carbohydrate, whose carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.","DirectParent":"Sugar Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01639","Name":"N-Methyl-Pyridoxal-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, an hydroxyl group, a carbaldehyde group, and an hydroxymethyl group, respectively.","DirectParent":"Pyridoxals and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridine Carboxaldehydes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01640","Name":"(5r)-6-(4-{[2-(3-Iodobenzyl)-3-Oxocyclohex-1-En-1-Yl]Amino}Phenyl)-5-Methyl-4,5-Dihydropyridazin-3(2h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.","DirectParent":"Pyridazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyridazines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01641","Name":"(5z)-2-[(1s,2r)-1-Amino-2-Hydroxypropyl]-5-[(4-Amino-1h-Indol-3-Yl)Methylene]-3-(2-Hydroxyethyl)-3,5-Dihydro-4h-Imidazol-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01642","Name":"O1-Methyl-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01643","Name":"Thymidine-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01644","Name":"3,6-Dihydroxy-Xanthene-9-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene ring joined to each other by a pyran ring.","DirectParent":"Xanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Dibenzopyrans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01645","Name":"Genistein","DrugType":"small molecule","HalfLife":"","Description":"An isoflavonoid derived from soy products. It inhibits protein-tyrosine kinase and topoisomerase-II (DNA topoisomerases, type II) activity and is used as an antineoplastic and antitumor agent. Experimentally, it has been shown to induce G2 phase arrest in human and murine cell lines.\r\n\r\nAdditionally, genistein has antihelmintic activity. It has been determined to be the active ingredient in \u003cI\u003eFelmingia vestita\u003c/I\u003e, which is a plant traditionally used against worms. It has also been demonstrated to be effective against intestinal parasites such as the common liver fluke, pork trematode and poultry cestode. [Wikipedia] \r\n\r\nFurther, genistein is a phytoestrogen which has selective estrogen receptor modulator properties. It has been investigated in clinical trials as an alternative to classical hormone therapy to help prevent cardiovascular disease in postmenopausal women. [1] \r\n\r\nGenistein can be found in food sources such as tofu, fava beans, soybeans, kudzu, and lupin. It is also present in certain cell cultures and medicinal plants. [Wikipedia] \r\n\r\n","Classification":{"Description":"This compound belongs to the isoflavonoids. These are natural products derived from 3-phenylchromen-4-one.","DirectParent":"Isoflavonoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Isoflavonoids","SubClass":""},"Indication":"Currently Genistein is being studied in clinical trials as a treatment for prostate cancer. ","Toxicity":"","MechanismOfAction":"Genistein may inhibit cancer cell growth by blocking enzymes required for cell growth. \r\n\r\nGenistein may decrease cardiovascular risk in postmenopausal women by interacting with the nuclear estrogen receptors to alter the transcription of cell specific genes. In randomized clinical trials, genistein was seen to increase the ratio of nitric oxide to endothelin and improved flow-mediated endothelium dependent vasodilation in healthy postmenopausal women. [1] In addition, genistein may have beneficial effects on glucose metabolism by inhibiting islet tyrosine kinase activity as well as insulin release dependent on glucose and sulfonylurea. [1] ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB01646","Name":"N-Acetylmethionine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01647","Name":"(R)-Mesopram","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01648","Name":"O1-Methyl-4-Deoxy-4-Thio-Beta-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01649","Name":"7-Methyl-Gpppa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01650","Name":"trans-2-hydroxycinnamic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C4 carbon atom of the benzene ring.","DirectParent":"Coumaric Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Hydroxycinnamic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01651","Name":"Methyl 4,6-O-[(1r)-1-Carboxyethylidene]-Beta-D-Galactopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranodioxins. These are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring.","DirectParent":"Pyranodioxins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyranodioxins","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01652","Name":"4-Hydroxybenzoyl Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01653","Name":"(5z)-5-(1h-Indol-3-Ylmethylene)-4h-Imidazol-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01655","Name":"L-Guluronic Acid 6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01656","Name":"Roflumilast","DrugType":"small molecule","HalfLife":"Plasma half-life of roflumilast is 17 hours and its metabolite is 30 hours (oral dose). ","Description":"Roflumilast is a phosphodiesterase-4 (PDE-4) inhibitor. Due to its selective inhibition of the PDE4 isoenzyme in lung cells, roflumilast is indicated for the management of chronic obstrtuctive pulmonary disease (COPD) exacerbations. Treatment with Roflumilast is associated with an increase in psychiatric adverse reactions, including suicide and suicidal attempts. ","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Roflumilast is indicated as a treatment to reduce the risk of COPD exacerbations in patients with severe COPD associated with chronic bronchitis and a history of exacerbations. Roflumilast is not a bronchodilator and is not indicated for the relief of acute bronchospasm.","Toxicity":"Headache, weight loss, GI upset, insomnia, and loose stools.","MechanismOfAction":"Roflumilast is a phosphodiesterase-4 (PDE-4) inhibitor which, due to its selective inhibition of the PDE4 isoenzyme, has potential antiinflammatory and antimodulatory effects in the pulmonary system. It is thought that the increased levels of intracellular cyclic AMP are responsible for the therapeutic actions of Roflumilast. ","Pharmacodynamics":"Roflumilast (and its active metabolite, roflumilast N-oxide) increases cyclic adenosine-3′, 5′-monophosphate (cAMP) in lung cells by inhibiting PDE4. Increased cAMP activates PKA, which inactivates transcription factors involved in inflammation. Romflumilast also decreases the amount of sputum neutrophils and eosinophils in COPD patients.","Absorption":"After a 500mcg dose, the bioavailability of roflumilast is about 80%. In the fasted state, maximum plasma concentrations are reached in 0.5 to 2 hours. While in the fed state, Cmax is reduced by 40%, Tmax is increased by one hour, and total absorption is unchanged.","Interactions":[{"ID":"DB01281"},{"ID":"DB01118"},{"ID":"DB00098"},{"ID":"DB06413"},{"ID":"DB06681"},{"ID":"DB08879"},{"ID":"DB00290"},{"ID":"DB00559"},{"ID":"DB00564"},{"ID":"DB00958"},{"ID":"DB00262"},{"ID":"DB00291"},{"ID":"DB00501"},{"ID":"DB00515"},{"ID":"DB00242"},{"ID":"DB00631"},{"ID":"DB01234"},{"ID":"DB00625"},{"ID":"DB00199"},{"ID":"DB00005"},{"ID":"DB06414"},{"ID":"DB06414"},{"ID":"DB00176"},{"ID":"DB01320"},{"ID":"DB00056"},{"ID":"DB05259"},{"ID":"DB00078"},{"ID":"DB00065"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB00745"},{"ID":"DB00607"},{"ID":"DB00238"},{"ID":"DB08935"},{"ID":"DB00043"},{"ID":"DB00338"},{"ID":"DB00776"},{"ID":"DB00059"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00794"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB01323"},{"ID":"DB08895"},{"ID":"DB00549"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01657","Name":"2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01658","Name":"1'-Deazo-Thiamin Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01659","Name":"3-(1,10-Phenanthrol-2-Yl)-L-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.","DirectParent":"Phenanthrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Phenanthrolines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01660","Name":"Adenosine-5'-Diphosphate Monothiophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01661","Name":"Phosphoribosyl Atp","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01662","Name":"Trans-O-Hydroxy-Alpha-Methyl Cinnamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01663","Name":"Lambda-Bis(2,2'-Bipyridine)-(5-Methyl-2-2'-Bipyridine)-C9-Adamantane Ruthenium (Ii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01664","Name":"(S)-Des-Me-Ampa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01665","Name":"ZK-800270","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01666","Name":"D-Myo-Inositol-Hexasulphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group.","DirectParent":"Sulfuric Acid Monoesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Sulfuric Acids and Derivatives","SubClass":"Sulfuric Acid Monoesters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01667","Name":"8-azaguanine","DrugType":"small molecule","HalfLife":"","Description":"One of the early purine analogs showing antineoplastic activity. It functions as an antimetabolite and is easily incorporated into ribonucleic acids. [PubChem]","Classification":{"Description":"This compound belongs to the triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring.","DirectParent":"Triazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01668","Name":"Nanaomycin D","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoisochromanequinones.","DirectParent":"Benzoisochromanequinones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Isochromanequinones","SubClass":"Benzoisochromanequinones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01669","Name":"Virginiamycin M1","DrugType":"small molecule","HalfLife":"","Description":"Pristinamycin IIA is a macrolide antibiotic. It is a member of the streptogramin A group of antibiotics and one component of pristinamycin (the other being pristinamycin IA). It is produced by Streptomyces graminofaciens and other bacteria.","Classification":{"Description":"This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.","DirectParent":"Macrolide Lactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolide Lactams","SubClass":""},"Indication":"For the treatment of bacterial infections.","Toxicity":"","MechanismOfAction":"Virginiamycin M1 is a macrocyclic lactone antibiotic that acts syngeristically with the structurally unrelated cyclic depsipeptides more commonly known as the virginiamycins B (ostreogrycin B or streptogramin B) and S to inhibit peptide elongation. This is achieved by blocking formation of a peptide bond between the growing peptide chain (peptidyl-tRNA) linked to the 50S ribosome and aminoacyl-tRNA. Virginiamycin M1 has proven to be highly active against Gram positive bacteria, particularly methicillin-resistant S. aureus.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01670","Name":"Propyl Acetate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carboxylic acid esters. These are carboxylic acid derivatives in which the carbo atom from the carbonyl group is atached to an alkyl or oaryl moiety through an oxygen atom (forming an ester group).","DirectParent":"Carboxylic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01671","Name":"4-(Hydroxymercury)Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01672","Name":"2,3-Dihydroxy-Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01673","Name":"Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01674","Name":"[2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01675","Name":"Methacrylyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01676","Name":"Trinitrotoluene","DrugType":"small molecule","HalfLife":"","Description":"A 2,4,6-trinitrotoluene is an explosive chemical that can cause skin irritation and other toxic consequences. [PubChem]","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01677","Name":"Fumarate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00355","Drugs":["DB00139","DB01677","DB02263","DB04326"]},{"ID":"SMP00008","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00547","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00057","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00369","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00548","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00550","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00370","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00206","Drugs":["DB00120","DB00135","DB00142","DB01373","DB01592","DB01677"]},{"ID":"SMP00549","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00546","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00551","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00175","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00067","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00192","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00059","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00360","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00205","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00002","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00003","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00357","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00020","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00654","Drugs":["DB00119","DB00121","DB00130","DB00139","DB00142","DB01345","DB01677","DB01709","DB01819","DB02263","DB04272","DB04326"]},{"ID":"SMP00001","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00362","Drugs":["DB00118"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molecule","HalfLife":"","Description":"RU84687 is a subnanomolar and Src SH2 selective binder.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01679","Name":"Propyl Trihydrogen Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01681","Name":"Benzene Hexacarboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.","DirectParent":"p-Phthalic Acid and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01682","Name":"6'-Methyl-Thiamin Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01683","Name":"Chymostatin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01684","Name":"1-Hydroxy-1-Thio-Glycerol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfenic acids. These are compounds containing a sulfenic acid functional group, with the general structure RSOH (R not H).","DirectParent":"Sulfenic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfenic Acids and Derivatives","SubClass":"Sulfenic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01685","Name":"4-[5-Pyridin-4-Yl-1h-[1,2,4]Triazol-3-Yl]-Pyridine-2-Carbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01686","Name":"N,N-dimethylarginine","DrugType":"small molecule","HalfLife":"","Description":"Asymmetric dimethylarginine (ADMA) is a naturally occurring chemical found in blood plasma. It is a metabolic by-product of continual protein modification processes in the cytoplasm of all human cells. It is closely related to L-arginine, a conditionally-essential amino acid. ADMA interferes with L-arginine in the production of nitric oxide, a key chemical to endothelial and hence cardiovascular health. [Wikipedia]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Asymmetric dimethylarginine (ADMA), an endogenous inhibitor of nitric oxide synthase, is formed by methylation of arginine residues in proteins and released after proteolysis. In this reaction, S-adenosylmethionine is methyldonor and S-adenosylhomocysteine the demethylated product. ADMA and homocysteine are thus biochemically linked. Both plasma homocysteine and ADMA concentrations are increased in patients with renal dysfunction, probably as a result of an impairment in their metabolic, but not urinary, clearance. Hyperhomocysteinemia has been associated with an increased risk of cardiovascular disease in end-stage renal disease, especially in patients without malnutrition and inflammation. Also, plasma ADMA levels have been associated with cardiovascular disease in renal failure patients. Both homocysteine and ADMA are thought to mediate their adverse vascular effects by impairing endothelial, nitric oxide-dependent function resulting in decreased vasodilatation, increased smooth muscle cell proliferation, platelet dysfunction and increased monocyte adhesion.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01687","Name":"Mannobiose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01688","Name":"P-Cresol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.","DirectParent":"Para Cresols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01689","Name":"Inhibitor Idd 384","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01690","Name":"Bis(Adenosine)-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01691","Name":"Indole Naphthyridinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthyridines. These are compounds containing a naphthyridine moeity, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.","DirectParent":"Naphthyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01692","Name":"Dithioerythritol","DrugType":"small molecule","HalfLife":"","Description":"A compound that, along with its isomer, Cleland\u0026#39;s reagent (dithiothreitol), is used for the protection of sulfhydryl groups against oxidation to disulfides and for the reduction of disulfides to sulfhydryl groups. [PubChem]","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01693","Name":"Ribavirin Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazole ribonucleosides and ribonucleotides. These are nucleoside derivatives containing a ribose derivative which is n-glycosylated to a triazole.","DirectParent":"Triazole Ribonucleosides and Ribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01048"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01694","Name":"D-tartaric acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01695","Name":"N-Hydroxy-4-Phosphono-Butanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids and derivatives. These are organic compounds containing phosphonic acid or a derivative thereof.","DirectParent":"Organic Phosphonic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01696","Name":"7,9-Dihydro-1h-Purine-2,6,8(3h)-Trione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB01697","Name":"Cellotriose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trihexoses. These are trisaccharides containing three hexose carbohydrates.","DirectParent":"Trihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Trisaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01698","Name":"Rutin","DrugType":"small molecule","HalfLife":"","Description":"A flavonol glycoside found in many plants, including buckwheat; tobacco; forsythia; hydrangea; viola, etc. It has been used therapeutically to decrease capillary fragility. [PubChem]","Classification":{"Description":"This compound belongs to the flavonoid o-glycosides. These are compounds containing a carbohydrate moiety which is o-glycosidically linked to one of the flavonoid backbones (2-phenylchromen-4-one, 3-phenylchromen-4-one or 4-phenylcoumarin).","DirectParent":"Flavonoid O-Glycosides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavonoid Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01699","Name":"(4e)-4-Aminohex-4-Enoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01700","Name":"Aicar","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1-phosphoribosyl-imidazoles. These are organic compounds containing the imidazole ring linked to a ribose phosphate through a 1-2 bond.","DirectParent":"1-Phosphoribosyl-imidazoles","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB01701","Name":"1,2-Dichloro-Propane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01702","Name":"2-(3,4-Dihydroxyphenyl)Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"A deaminated metabolite of levodopa. [PubChem]","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB01703","Name":"N-(2-Ferrocenylethyl)Maleimide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01704","Name":"2,4-Dihydroxy-Trans Cinnamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01705","Name":"Bis(5-Amidino-Benzimidazolyl)Methane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01706","Name":"2-Bromo-6-Chloro-Purine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01707","Name":"L-Alfa-Lysophosphatidylcholine, Lauroyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lysophosphatidylcholines. These are glycerophosphocholines (molecules containing a choline moiety attached to the phosphate group linked to a glycerol) in which the glycerol is esterifiedwith one fatty acid each through an ester linkage.","DirectParent":"Lysophosphatidylcholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01708","Name":"Dehydroepiandrosterone","DrugType":"small molecule","HalfLife":"12 hours","Description":"Dehydroepiandrosterone (DHEA) is a major C19 steroid produced by the adrenal cortex. It is also produced in small quantities in the testis and the ovary. Dehydroepiandrosterone (DHEA) can be converted to testosterone; androstenedione; estradiol; and estrone. Most of DHEA is sulfated (dehydroepiandrosterone sulfate) before secretion.\r\n\r\nIn the United States, DHEA or DHEAS have been advertised with claims that they may be beneficial for a wide variety of ailments. DHEA and DHEAS are readily available in the United States, where they are marketed as over-the-counter dietary supplements.\r\n\r\nIn Canada, a prescription is required to buy DHEA.","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"DHEA is taken as a supplement for a variety of unsubstantiated indications. The following indications have shown promise and are backed up by some scientific evidence: schizophrenia (DHEA may be more effective in women than men); improving the appearance of older people’s skin (taking DHEA by mouth seems to increase skin thickness and moisture, and decrease facial “age spots” in elderly men and women); improving ability to achieve an erection in men with sexual dysfunction. Additionally, DHEA has shown promise in improving symptoms of lupus (SLE). Taking DHEA by mouth along with conventional treatment may help reduce the number of times symptoms flare up and may allow a reduction in the dose of prescription drugs needed. DHEA may also help SLE symptoms such as muscle ache and mouth ulcers. DHEA also seems to strengthen bones in SLE patients being treated with high-dose steroids (corticosteroids).\r\nDHEA also shows promise in the treatment of osteoporosis. Taking DHEA by mouth daily seems to improve bone mineral density (BMD) in older women and men with osteoporosis or osteopenia (pre-osteoporosis). DHEA may also increase BMD in young women with the eating disorder called anorexia nervosa. DHEA is often prescribed in India for the induction of ovulation to improve chances of pregnancy.","Toxicity":"Acute oral toxicity (LD50): \u003e10000 mg/kg [Rat]. Lowest Published Toxic Dose (TDL) [Man] - Route: Oral; Dose: 10 mg/kg/2W intermittent.","MechanismOfAction":"DHEA can be understood as a prohormone for the sex steroids. DHEAS may be viewed as buffer and reservoir. As most DHEA is produced by the zona reticularis of the adrenal cortex, it is argued that there is a role in the immune and stress response. As almost all DHEA is derived from the adrenal glands, blood measurements of DHEAS/DHEA are useful to detect excess adrenal activity as seen in adrenal cancer or hyperplasia, including certain forms of congenital adrenal hyperplasia. Women with polycystic ovary syndrome tend to have elevated levels of DHEAS.","Pharmacodynamics":"DHEA is naturally produced from cholesterol through two cytochrome P450 enzymes. Cholesterol is converted to pregnenolone by the enzyme P450 scc (side chain cleavage); then another enzyme, CYP17A1, converts pregnenolone to 17α-Hydroxypregnenolone and then to DHEA. Regular exercise is known to increase DHEA production in the body. Calorie restriction has also been shown to increase DHEA in primates. Some theorize that the increase in endogenous DHEA brought about by calorie restriction is partially responsible for the longer life expectancy known to be associated with calorie restriction.","Absorption":"Following a 50-mg DHEA PO dose in cynomolgus monkeys, systemic availability was only 3.1 +/- 0.4%. [PMID: 12970301]","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB01709","Name":"2-Phosphoglyceric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00128","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00573","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00374","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00563","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00040","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00581","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00531","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00562","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00560","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00572","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00574","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00654","Drugs":["DB00119","DB00121","DB00130","DB00139","DB00142","DB01345","DB01677","DB01709","DB01819","DB02263","DB04272","DB04326"]}]},{"ID":"DB01710","Name":"Porphyrin Fe(Iii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01711","Name":"2,3,4,5,6-Pentafluorobenzyl Alcohol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01712","Name":"(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Phenylalanine Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01713","Name":"Udp-Alpha-D-Xylopyranose","DrugType":"small molecule","HalfLife":"","Description":"The decarboxylation product of UDPglucuronic acid, which is used for formation of the xylosides of seryl hydroxyl groups in mucoprotein synthesis. Also forms plant xylans. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01714","Name":"N-Methyl-Lysine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01715","Name":"7,8-Diamino-Nonanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino fatty acids. These are fatty acids contaning an amine group.","DirectParent":"Amino Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Amino Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01716","Name":"2-Propenyl-N-Acetyl-Neuramic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01717","Name":"Bis(Adenosine)-5'-Pentaphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01718","Name":"Cetyl-Trimethyl-Ammonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01719","Name":"Thio-Maltopentaose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01720","Name":"(2z)-2-(Benzoylamino)-3-[4-(2-Bromophenoxy)Phenyl]-2-Propenoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bromodiphenyl ethers. These are ether derivatives of bromodiphenyl.","DirectParent":"Bromodiphenyl Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Bromodiphenyl Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01721","Name":"Analogue of Indinavir Drug","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01722","Name":"Ethylbenzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01723","Name":"{3-[3-(3,4-Dimethoxy-Phenyl)-1-(1-{1-[2-(3,4,5-Trimethoxy-Phenyl)-Butyryl]-Piperidin-2yl}-Vinyloxy)-Propyl]-Phenoxy}-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.","DirectParent":"Chalcones and Dihydrochalcones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Chalcones and Dihydrochalcones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01724","Name":"Reduced Threonine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.","DirectParent":"1,2-Aminoalcohols","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Alkanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01725","Name":"CRA_7806","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01726","Name":"2-Aminophenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminophenols. These are organic compounds containing an amino group attached to a phenol.","DirectParent":"Aminophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01727","Name":"Isocitric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01728","Name":"3-[Aminoethylphosphoryl]-[1,2-Di-Palmitoyl]-Sn-Glycerol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages.","DirectParent":"Phosphatidylethanolamines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoethanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01729","Name":"(1s,3s,4s)-1,3,4-Triphospho-Myo-Inositol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01731","Name":"(S)-Wiskostatin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01732","Name":"(4r,5s,6s,7r)-1,3-Dibenzyl-4,7-Bis(Phenoxymethyl)-5,6-Dihydroxy-1,3 Diazepan-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01733","Name":"L-Phospholactate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01734","Name":"3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01735","Name":"3-Chloroalaninate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01736","Name":"[3-(Dodecanoylamino)Propyl](Hydroxy)Dimethylammonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01737","Name":"Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01738","Name":"O-Phosphoethanolamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01739","Name":"Allo-Isoleucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01740","Name":"2-Amino-4-Butyl-5-Propylselenazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the selones. These are organic compounds that contains the functional group with the connectivity RC(=Se)R' (R,R' ≠ H).","DirectParent":"Selones","Kingdom":"Organic Compounds","SuperClass":"Organometallic Compounds","Class":"Organic Metalloid Compounds","SubClass":"Organoselenium Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01741","Name":"CRA_17693","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01742","Name":"(3r)-1-Acetyl-3-Methylpiperidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acylpiperidines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine.","DirectParent":"N-Acylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01743","Name":"Pyoverdine-Chromophore","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01744","Name":"Camphor","DrugType":"small molecule","HalfLife":"","Description":"A bicyclic monoterpene ketone found widely in plants, especially cinnamomum camphora. It is used topically as a skin antipruritic and as an anti-infective agent. [PubChem]","Classification":{"Description":"This compound belongs to the bicyclic monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.","DirectParent":"Bicyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01745","Name":"N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01746","Name":"D-Leucine","DrugType":"small molecule","HalfLife":"","Description":"An essential branched-chain amino acid important for hemoglobin formation. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01747","Name":"Coprogen","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01748","Name":"N-Benzyl-4-Sulfamoyl-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01749","Name":"1,2-Dimethoxyethane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01750","Name":"Naphthalen-1-Yl-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01751","Name":"3,3',5,5'-Tetraiodothyroacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01752","Name":"S-Adenosyl-L-Homocysteine","DrugType":"small molecule","HalfLife":"","Description":"5\u0026#39;-S-(3-Amino-3-carboxypropyl)-5\u0026#39;-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions. [PubChem]","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01753","Name":"4-Oxo-Nicotinamide-Adenine Dinucleotide Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01754","Name":"3,4-Dihydroxy-1-Methylquinolin-2(1h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxyquinolones. These are compounds containing a quinoline moiety bearing an hydroxyl group and a ketone.","DirectParent":"Hydroxyquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01755","Name":"N-[Isoleucinyl]-N'-[Adenosyl]-Diaminosufone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01756","Name":"D-4-Phosphoerythronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01758","Name":"3-Iodo-Tyrosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01759","Name":"5-Hydroxy-2-(Hydroxymethyl)-4h-Pyran-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.","DirectParent":"Pyranones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyranones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01760","Name":"2-Methoxy-3-Isopropylpyrazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring.","DirectParent":"Methoxypyrazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01761","Name":"4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01762","Name":"Acetoacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.","DirectParent":"Beta Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Beta Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01763","Name":"Tatp","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01764","Name":"Dalfopristin","DrugType":"small molecule","HalfLife":"The elimination half-life is approximately 0.70 hours.","Description":"Dalfopristin is a combination of two antibiotics (Dalfopristin and quinupristin) used to treat infections by staphylococci and by vancomycin-resistant Enterococcus faecium. It is not effective against Enterococcus faecalis infections. Dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome and quinupristin inhibits the late phase of protein synthesis.","Classification":{"Description":"This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.","DirectParent":"Macrolide Lactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolide Lactams","SubClass":""},"Indication":"For the treatment of bacterial infections (usually in combination with quinupristin).","Toxicity":"","MechanismOfAction":"The site of action of dalfopristin is the bacterial ribosome. Dalfopristin \r\nhas been shown to inhibit the early phase of protein synthesis.\r\n","Pharmacodynamics":"Dalfopristin is a streptogramin antibiotic, derived from pristinamycin IIA. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB01765","Name":"(5-Oxo-5,6-Dihydro-Indolo[1,2-a]Quinazolin-7-Yl)-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoloquinazolines. These are polycyclic aromatic compounds containing an indole fused to a quinazoline.","DirectParent":"Indoloquinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01766","Name":"Beta-(2-Naphthyl)-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01767","Name":"Hemi-Babim","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01768","Name":"Methylumbelliferyl Sialic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.","DirectParent":"Coumarin Glycosides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":"Coumarin Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01769","Name":"Double Oxidized Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01770","Name":"All-Trans Axerophthene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01771","Name":"CRA_10991","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01772","Name":"3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01773","Name":"4-[3-Carboxymethyl-3-(4-Phosphonooxy-Benzyl)-Ureido]-4-[(3-Cyclohexyl-Propyl)-Methyl-Carbamoyl]Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01774","Name":"Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester","DrugType":"small molecule","HalfLife":"","Description":"Serves as the glycosyl donor for formation of bacterial glycogen, amylose in green algae, and amylopectin in higher plants. [PubChem]","Classification":{"Description":"This compound belongs to the purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Purine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01775","Name":"Dihydroxyacetone","DrugType":"small molecule","HalfLife":"","Description":"A ketotriose compound. Its addition to blood preservation solutions results in better maintenance of 2,3-diphosphoglycerate levels during storage. It is readily phosphorylated to dihydroxyacetone phosphate by triokinase in erythrocytes. In combination with naphthoquinones it acts as a sunscreening agent. [PubChem]","Classification":{"Description":"This compound belongs to the trioses. These are monosaccharides whose carbohydrate unit contains three carbon atoms.","DirectParent":"Trioses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01776","Name":"M-Cresol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and an hydroxyl group at ring positions 1 and 3, respectively.","DirectParent":"Meta Cresols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01777","Name":"Coa-S-Trimethylene-Acetyl-Tryptamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01778","Name":"8-Amino-1,3-Dimethyl-3,7-Dihydropurine-2,6-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01779","Name":"Glycerol-2-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01780","Name":"Fusicoccin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diterpene glycosides. These are diterpenes in which an isoprene unit is glycosylated.","DirectParent":"Diterpene Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Terpene Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01782","Name":"2,6-Dihydroanthra/1,9-Cd/Pyrazol-6-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring.","DirectParent":"Anthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01783","Name":"Pantothenic acid","DrugType":"small molecule","HalfLife":"","Description":"Pantothenic acid, also called pantothenate or vitamin B5 (a B vitamin), is a water-soluble vitamin discovered by Roger J. Williams in 1919. For many animals, pantothenic acid is an essential nutrient. Animals require pantothenic acid to synthesize coenzyme-A (CoA), as well as to synthesize and metabolize proteins, carbohydrates, and fats.\r\nPantothenic acid is the amide between pantoic acid and β-alanine. Small quantities of pantothenic acid are found in nearly every food, with high amounts in whole-grain cereals, legumes, eggs, meat, royal jelly, avocado, and yogurt. It is commonly found as its alcohol analog, the provitamin panthenol, and as calcium pantothenate. Pantothenic acid is an ingredient in some hair and skin care products. Only the dextrorotatory (D) isomer of pantothenic acid possesses biologic activity. The levorotatory (L) form may antagonize the effects of the dextrorotatory isomer. [Wikipedia]","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Studied for the treatment of many uses such as treatment of testicular torsion, diabetic ulceration, wound healing, acne, obesity, diabetic peripheral polyneuropathy. It has also been investigated for its hypolipidemic effects and as cholesterol lowering agent.","Toxicity":"No Tolerable Upper Level Intake (UL) has been established for the vitamin.","MechanismOfAction":"Pantothenic acid is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.","Pharmacodynamics":"Pantothenic acid is used in the synthesis of coenzyme A (CoA). Coenzyme A may act as an acyl group carrier to form acetyl-CoA and other related compounds; this is a way to transport carbon atoms within the cell. CoA is important in energy metabolism for pyruvate to enter the tricarboxylic acid cycle (TCA cycle) as acetyl-CoA, and for α-ketoglutarate to be transformed to succinyl-CoA in the cycle. CoA is also important in the biosynthesis of many important compounds such as fatty acids, cholesterol, and acetylcholine. CoA is incidentally also required in the formation of ACP, which is also required for fatty acid synthesis in addition to CoA.\r\n\r\nPantothenic acid in the form of CoA is also required for acylation and acetylation, which, for example, are involved in signal transduction and enzyme activation and deactivation, respectively.\r\n\r\nSince pantothenic acid participates in a wide array of key biological roles, it is essential to all forms of life. As such, deficiencies in pantothenic acid may have numerous wide-ranging effects, as discussed below.","Absorption":"When found in foods, most pantothenic acid is in the form of CoA or acyl carrier protein (ACP). For the intestinal cells to absorb this vitamin, it must be converted into free pantothenic acid. Within the lumen of the intestine, CoA and ACP are hydrolyzed into 4'-phosphopantetheine. The 4'-phosphopantetheine is then dephosphorylated into pantetheine. Pantetheinase, an intestinal enzyme, then hydrolyzes pantetheine into free pantothenic acid. \r\nFree pantothenic acid is absorbed into intestinal cells via a saturable, sodium-dependent active transport system. At high levels of intake, when this mechanism is saturated, some pantothenic acid may also be absorbed via passive diffusion. As intake increases 10-fold, however, absorption rate decreases to 10%. [Wikipedia]","Interactions":null,"Salts":[{"ID":"DBSALT000034","Name":"Calcium pantothenate"}],"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB01784","Name":"4-Flourobenzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01785","Name":"Dimethylallyl Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene unit.","DirectParent":"Isoprenoid Phosphates","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Isoprenoid Phosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01786","Name":"D-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01788","Name":"4-Imino-5-Methidyl-2-Methylpyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydropyrimidines. These are compounds containing an hydrogenated pyrimidine ring (i.e containing less than the maximum bumber of double bonds.).","DirectParent":"Hydropyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01789","Name":"1-Amino-2,3-Dihydroxy-5-Hydroxymethyl Cyclohex-5-Ene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.","DirectParent":"Cyclic Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01790","Name":"Sp-Adenosine-3',5'-Cyclic-Monophosphorothioate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01791","Name":"Piclamilast","DrugType":"small molecule","HalfLife":"","Description":"Piclamilast (RP-73,401), is a selective PDE4 inhibitor. It is comparable to other PDE4 inhibitors for its anti-inflammatory effects. It has been investigated for its applications to the treatment of conditions such as chronic obstructive pulmonary disease, bronchopulmonary dysplasia and asthma. It is a second generation compound that exhibits structural functionalities of the PDE4 inhibitors cilomilast and roflumilast. The structure for piclamilast was first elucidated in a 1995 European patent application.","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01792","Name":"Adenylyl-3'-5'-Phospho-Uridine-3'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside 3',5'-bisphosphates. These are pyrimidine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside 3',5'-Bisphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01793","Name":"I-5","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01794","Name":"bis(molybdopterin)tungsten cofactor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01795","Name":"Phenyl Boronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01796","Name":"Quinolinic Acid","DrugType":"small molecule","HalfLife":"","Description":"A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS. [PubChem]","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.","DirectParent":"Pyridinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01797","Name":"(2r)-2-(Aminomethyl)-2,4-Dihydroxy-5-Oxo-3-(2-Oxoethyl)-2,5-Dihydro-1h-Imidazol-3-Ium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01798","Name":"Ethyl Dihydrogen Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01799","Name":"4-Hydroxy-3-Methyl Butyl Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01800","Name":"N,4-Dihydroxy-N-Oxo-3-(Sulfooxy)Benzenaminium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylsulfates. These are compounds containing a Sulfuric acid group conjugated to a phenyl group.","DirectParent":"Phenylsulfates","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylsulfates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01802","Name":"(4r)-7aza-7,8-Dihydrolimonene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary amines. These are amines having the nitrogen atom linked to exactly three hydrocarbyl groups.","DirectParent":"Tertiary Amines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Tertiary Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01803","Name":"2-(Trimethylammonium)Ethyl Thiol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01804","Name":"2-Ammoniobut-3-Enoate, 2-Amino-3-Butenoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01805","Name":"Monoisopropylphosphorylserine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01806","Name":"10-{4-Dimethylamino-5-[4-Hydroxy-6-Methyl-5-(6-Methyl-5-Oxo-Tetrahydro-Pyran-2-Yloxy)-Tetrahydro-Pyrane-2-Yloxy]-6-Methyl-Tetrahydro-Pyran-2-Yloxy}-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.","DirectParent":"Anthracyclines","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Anthracyclines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01807","Name":"N-[(3z)-5-Tert-Butyl-2-Phenyl-1,2-Dihydro-3h-Pyrazol-3-Ylidene]-N'-(4-Chlorophenyl)Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01808","Name":"Thiarsahydroxy-Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01809","Name":"1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01810","Name":"[1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01811","Name":"3h-Indole-5,6-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01812","Name":"Adenosine-3'-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety.","DirectParent":"Purine Ribonucleoside 3',5'-Bisphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01813","Name":"Pyridoxyl-Glutamic Acid-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01814","Name":"2-Tridecanoyloxy-Pentadecanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01815","Name":"Nz-(Dicarboxymethyl)Lysine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01816","Name":"(1s,6s,7r,8r,8ar)-1,6,7,8-Tetrahydroxyindolizidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen.","DirectParent":"Indolizidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indolizidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01817","Name":"Threonine-Aspartic Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01818","Name":"O3-Sulfonylgalactose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01819","Name":"Phosphoenolpyruvate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00128","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00573","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00040","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00581","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00531","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00562","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00560","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00572","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00574","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00374","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00563","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00060","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00240","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00212","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00559","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00217","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00390","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00196","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00045","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00334","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00534","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00216","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00558","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00654","Drugs":["DB00119","DB00121","DB00130","DB00139","DB00142","DB01345","DB01677","DB01709","DB01819","DB02263","DB04272","DB04326"]}]},{"ID":"DB01820","Name":"Compound 12, N-Acetyl-4-[(Carboxycarbonyl)(2-Carboxyphenyl)Amino]-N-Pentyl-1-Napthylalaniamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01821","Name":"L-N(Omega)-Nitroarginine-2,4-L-Diaminobutyric Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01822","Name":"Dithiane Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dithianes. These are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres.","DirectParent":"Dithianes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dithianes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01823","Name":"Beta-D-Glucopyranose Spirohydantoin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01824","Name":"(3s)-Tetrahydrofuran-3-Yl (1r,2s)-3-[4-((1r)-2-{[(S)-Amino(Hydroxy)Methyl]Oxy}-2,3-Dihydro-1h-Inden-1-Yl)-2-Benzyl-3-Oxopyrrolidin-2-Yl]-1-Benzyl-2-Hydroxypropylcarbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01825","Name":"2-Amino-8-Methylquinazolin-4(3h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01826","Name":"N-Butyl Isocyanide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01827","Name":"2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01828","Name":"Methylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01829","Name":"Desulfo-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01830","Name":"{4-[2-Acetylamino-2-(3-Carbamoyl-2-Cyclohexylmethoxy-6,7,8,9-Tetrahydro-5h-Benzocyclohepten-5ylcarbamoyl)-Ethyl]-2-Phosphono-Phenyl}-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01831","Name":"Tryptophanyl-5'amp","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01171"},{"ID":"DB00780"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01832","Name":"4-[Hydroxy-[Methyl-Phosphinoyl]]-3-Oxo-Butanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.","DirectParent":"Beta Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Beta Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01833","Name":"L-2-Amino-4-(Guanidinooxy)Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01834","Name":"(9r,10r)-9-(S-Glutathionyl)-10-Hydroxy-9,10-Dihydrophenanthrene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01835","Name":"4r-Fluoro-N6-Ethanimidoyl-L-Lysine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01836","Name":"[4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01837","Name":"O-Acetylserine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01838","Name":"6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavonols. These are compounds that has the 3-hydroxyflavone backbone.","DirectParent":"Flavonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01839","Name":"1,2-Propanediol","DrugType":"small molecule","HalfLife":"","Description":"A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations. [PubChem]","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00196","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00334","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00558","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00060","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00212","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00559","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]}]},{"ID":"DB01840","Name":"2-Deoxy-D-Glucitol 6-(E)-Vinylhomophosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01841","Name":"4,6-Dideoxyglucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01842","Name":"3'-Phosphate-Adenosine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01843","Name":"3-Amino-8,9,10-Trihydroxy-7-Hydroxymethyl-6-Oxa-1,3-Diaza-Spiro[4.5]Decane-2,4-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01844","Name":"Dimethylformamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 ≠ H).","DirectParent":"Tertiary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01845","Name":"N-Butylbenzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01846","Name":"Oxidized Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.","DirectParent":"Coenzyme A and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01847","Name":"N-Carbamyl-D-Valine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01848","Name":"Isocitrate Calcium Complex","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01849","Name":"3,4-Dihydrouracil","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01850","Name":"(2s,3s,8s,9s)-3-Amino-9-Methoxy-2,6,8-Trimethyl-10-Phenyldeca-4,6-Dienoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01851","Name":"Tetrabutylammonium Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01852","Name":"Kaempherol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavonols. These are compounds that has the 3-hydroxyflavone backbone.","DirectParent":"Flavonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01853","Name":"Bacteriochlorophyll A","DrugType":"small molecule","HalfLife":"","Description":"A specific bacteriochlorophyll that is similar in structure to CHLOROPHYLL A. [PubChem]","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01854","Name":"5-Bromonicotinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.","DirectParent":"Nicotinamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01855","Name":"5-(Hydroxy-Methyl-Amino)-3-Methyl-Pyrrolidine-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01856","Name":"Pimelic Acid","DrugType":"small molecule","HalfLife":"","Description":"A group of compounds that are derivatives of heptanedioic acid with the general formula R-C7H11O4. [PubChem]","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01857","Name":"Phosphoaspartate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01858","Name":"[1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01859","Name":"4-Diphosphocytidyl-2-C-Methyl-D-Erythritol 2-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01860","Name":"Cordycepin Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01861","Name":"Glucose-Uridine-C1,5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"A key intermediate in carbohydrate metabolism. Serves as a precursor of glycogen, can be metabolized into UDPgalactose and UDPglucuronic acid which can then be incorporated into polysaccharides as galactose and glucuronic acid. Also serves as a precursor of sucrose lipopolysaccharides, and glycosphingolipids. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00557","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00495","Drugs":["DB01592","DB01593","DB01861","DB02317"]},{"ID":"SMP00058","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00496","Drugs":["DB01592","DB01593","DB01861","DB02317"]},{"ID":"SMP00554","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00552","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00556","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00010","Drugs":["DB01592","DB01593","DB01861","DB02317"]},{"ID":"SMP00553","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00555","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00526","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00034","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00349","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00347","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00525","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00348","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00043","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]},{"ID":"SMP00182","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]},{"ID":"SMP00444","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00580","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00579","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]}]},{"ID":"DB01862","Name":"1-(Isopropylthio)-Beta-Galactopyranside","DrugType":"small molecule","HalfLife":"","Description":"A non-metabolizable galactose analog that induces expression of the LAC operon. [PubChem]","Classification":{"Description":"This compound belongs to the thioglycosides. These are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond.","DirectParent":"Thioglycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01863","Name":"Inositol 1,3,4,5-Tetrakisphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01864","Name":"5'-Guanosine-Diphosphate-Monothiophosphate","DrugType":"small molecule","HalfLife":"","Description":"Guanosine 5\u0026#39;-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid. A stable GTP analog which enjoys a variety of physiological actions such as stimulation of guanine nucleotide-binding proteins, phosphoinositide hydrolysis, cyclic AMP accumulation, and activation of specific proto-oncogenes. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01865","Name":"3-(6-Aminopyridin-3-Yl)-N-Methyl-N-[(1-Methyl-1h-Indol-2-Yl)Methyl]Acrylamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01866","Name":"RU79256","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01868","Name":"Glycyl-L-a-Aminopimelyl-E-(D-2-Aminoethyl)Phosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01870","Name":"1,4-Dithio-Alpha-D-Mannose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01871","Name":"[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01872","Name":"Acetylgalactosamine-4-Sulfate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01873","Name":"Epothilone D","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the epothilones and analogues. These are macrolides consisting of a 16-member lactone ring conjugated at the carbon 16 with a 1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group. Some epothilone analogues containing a lactam ring instead of the lactone ring.","DirectParent":"Epothilones and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":"Epothilones and Analogues"},"Indication":"Investigated for use/treatment in colorectal cancer, lung cancer, breast cancer, solid tumors, and prostate cancer.","Toxicity":"","MechanismOfAction":"The principal mechanism of the epothilone class is inhibition of microtubule function. Microtubules are essential to cell division, and epothilones therefore stop cells from properly dividing. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB01874","Name":"Tropinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01875","Name":"8-Azaxanthine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01876","Name":"Bis(5-Amidino-2-Benzimidazolyl)Methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01877","Name":"N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01878","Name":"Benzophenone","DrugType":"small molecule","HalfLife":"","Description":"Benzophenone is the organic compound. Substituted benzophenones such as oxybenzone and dioxybenzone are used in sunscreen.","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01879","Name":"(S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01880","Name":"3,4-Dihydroxycinnamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01881","Name":"2-Methylpentane-1,2,4-Triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).","DirectParent":"Tertiary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Tertiary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01882","Name":"(2s)-2-Amino-4-(Methylsulfanyl)-1-Pyridin-2-Ylbutane-1,1-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01883","Name":"N-(Sulfanylacetyl)Tyrosylprolylmethioninamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01884","Name":"2-Amino-3-Methyl-1-Pyrrolidin-1-Yl-Butan-1-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01885","Name":"D-Galctopyranosyl-1-On","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gluconolactones. These are polyhydroxy acids containing a gluconolactone molecule, which is characterized by a tetrahydropyran substituted by three hydroxyl groups, one ketone group, and one hydroxymethyl group.","DirectParent":"Gluconolactones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01887","Name":"Inhibitor BEA369","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01888","Name":"4-[5-(Trans-4-Aminocyclohexylamino)-3-Isopropylpyrazolo[1,5-a]Pyrimidin-7-Ylamino]-N,N-Dimethylbenzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01889","Name":"16,17-Androstene-3-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01890","Name":"Deoxy-Bigchap","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.","DirectParent":"Dihydroxy Bile Acids, Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01891","Name":"Tl-3-093","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01892","Name":"Hyperforin","DrugType":"small molecule","HalfLife":"9 hours","Description":"Hyperforin is a phytochemical produced by some of the members of the plant genus Hypericum, notably Hypericum perforatum (St John's wort).","Classification":{"Description":"This compound belongs to the bicyclic monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.","DirectParent":"Bicyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"Oral LD50 (rat):5628 mg/kg; Skin LD50 (rabbit): 15800 mg/kg; Subcutaneous LD50 (mouse):9800 mg/kg; Intraperitoneal LD50 (rabbit):1826 mg/kg","MechanismOfAction":"Hyperforin is believed to be the primary active constituent responsible for the antidepressant and anxiolytic properties of the extracts of St. John's wort. It acts as a reuptake inhibitor of monoamines, including serotonin, norepinephrine, dopamine, and of GABA and glutamate, with IC50 values of 0.05-0.10 mcg/ml for all compounds, with the exception of glutamate, which is in the 0.5 mcg/ml range. It appears to exert these effects by activating the transient receptor potential ion channel TRPC6. Activation of TRPC6 induces the entry of sodium and calcium into the cell which causes inhibition of monoamine reuptake.","Pharmacodynamics":"Hyperforin is believed to be the primary active constituent responsible for the antidepressant and anxiolytic properties of the extracts of St. John's wort. It acts as a reuptake inhibitor of monoamines, including serotonin, norepinephrine, dopamine, and of GABA and glutamate, with IC50 values of 0.05-0.10 mcg/ml for all compounds, with the exception of glutamate, which is in the 0.5 mcg/ml range. It appears to exert these effects by activating the transient receptor potential ion channel TRPC6. Activation of TRPC6 induces the entry of sodium and calcium into the cell which causes inhibition of monoamine reuptake. Hyperforin is also thought to be responsible for the induction of the cytochrome P450 enzymes CYP3A4 and CYP2C9 by binding to and activating the pregnane X receptor (PXR).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB01893","Name":"N6-Benzyl Adenosine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01894","Name":"5-N-Acetyl-Alpha-D-Neuraminic Acid","DrugType":"small molecule","HalfLife":"","Description":"An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518)","Classification":{"Description":"This compound belongs to the neuraminic acid derivatives. These are compounds containingor dervivated from a neuraminic acid moeity (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid), which is a 9-carbon monosaccharide.","DirectParent":"Neuraminic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01895","Name":"Aspartyl-Adenosine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01896","Name":"M-Aminophenylboronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.","DirectParent":"Anilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01897","Name":"2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phthalazinones. These are compounds containing a phthalazine bearing a ketone group.","DirectParent":"Phthalazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Phthalazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01898","Name":"2s,3r-2-Amino-3-Methylpentanedioic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01899","Name":"Nd1-Phosphonohistidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01900","Name":"Toluene","DrugType":"small molecule","HalfLife":"","Description":"A widely used industrial solvent. [PubChem]","Classification":{"Description":"This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.","DirectParent":"Toluenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Toluenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01901","Name":"Sucrose Octasulfate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01902","Name":"1-Ethyl-Pyrrolidine-2,5-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolidones. These are compounds containing a pyrrolidine ring which bears a ketone.","DirectParent":"Pyrrolidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Pyrrolidones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01903","Name":"5-Bromo-2'-Deoxyuridine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01904","Name":"D-Xylitol","DrugType":"small molecule","HalfLife":"","Description":"A five-carbon sugar alcohol derived from xylose by reduction of the carbonyl group. It is as sweet as sucrose and used as a noncariogenic sweetener. [PubChem]","Classification":{"Description":"This compound belongs to the sugar alcohols. These are hydrogenated forms of carbohydrate, whose carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.","DirectParent":"Sugar Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01905","Name":"2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01906","Name":"3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01908","Name":"RU85493","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01909","Name":"Alpha-Cyclodextrin (Cyclohexa-Amylose)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01910","Name":"Adenosyl-Ornithine","DrugType":"small molecule","HalfLife":"","Description":"Adenosyl-ornithine is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar. The proteins that adenosyl-ornithine target include RdmB, modification methylase TaqI, rRNA (adenine-N6-)-methyltransferase, and modification methylase RsrI.","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01911","Name":"N-Methylmesoporphyrin","DrugType":"small molecule","HalfLife":"","Description":"N-methylmesoporphyrin is a solid. This compound belongs to the porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. This medication is known to target ferrochelatase.","Classification":{"Description":"This compound belongs to the porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.","DirectParent":"Porphyrins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Porphyrins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01912","Name":"2,2':6',2''-Terpyridine Platinum(Ii)","DrugType":"small molecule","HalfLife":"","Description":"2,2':6',2''-terpyridine Platinum(Ii) is a solid. Known drug targets of 2,2':6',2''-Terpyridine Platinum(Ii) include truncated transposase and autolysin.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01913","Name":"Lipid Fragment","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01914","Name":"D-Glucose in Linear Form","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01915","Name":"S-Hydroxycysteine","DrugType":"small molecule","HalfLife":"","Description":"S-hydroxycysteine is a solid. This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. It targets the proteins subtilisin BPN', glutathione S-transferase A1, glutathione S-transferase p, myelin P2 protein, and complement c3.","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01917","Name":"Putrescine","DrugType":"small molecule","HalfLife":"","Description":"Putrescine is a toxic diamine formed by putrefaction from the decarboxylation of arginine and ornithine. Putrescine is a solid. This compound belongs to the polyamines. These are compounds containing more than one amine group. Known drug targets of putrescine include putrescine-binding periplasmic protein, ornithine decarboxylase, and S-adenosylmethionine decarboxylase proenzyme. ","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00445","Drugs":["DB00118","DB00127","DB00129","DB00134","DB01345","DB01917","DB03566"]},{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00221","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00340","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00570","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]}]},{"ID":"DB01918","Name":"[Methyltelluro]Acetate","DrugType":"small molecule","HalfLife":"","Description":"[methyltelluro]acetate is a solid. This compound belongs to the organic oxoanionic compounds. These are organic compounds containing an oxoanion. This medication targets the protein monomeric sarcosine oxidase.","Classification":{"Description":"This compound belongs to the organic oxoanionic compounds. These are organic compounds containing an oxoanion.","DirectParent":"Organic Oxoanionic Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01919","Name":"Pentanal","DrugType":"small molecule","HalfLife":"","Description":"Pentanal is a solid. This compound belongs to the polyamines. These are compounds containing more than one amine group. This drug targets the protein cAMP-dependent protein kinase catalytic subunit alpha.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01920","Name":"1-O-[O-Nitrophenyl]-Beta-D-Galactopyranose","DrugType":"small molecule","HalfLife":"","Description":"Includes ortho-, meta-, and para-nitrophenylgalactosides. [PubChem]","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01921","Name":"Xylose-Derived Lactam Oxime","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopiperidines.","DirectParent":"Aminopiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Aminopiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01922","Name":"Maltosyl-Alpha (1,4)-D-Gluconhydroximo-1,5-Lactam","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01923","Name":"L-Xylulose 5-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01924","Name":"Benzhydroxamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01925","Name":"2'-Chloro-Biphenyl-2,3-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moeity.","DirectParent":"Chlorinated Biphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01926","Name":"Carboxymycobactin S","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.","DirectParent":"Cyclic Depsipeptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01927","Name":"Duroquinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-quinones.","DirectParent":"p-Quinones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01928","Name":"Huperaine A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinolones and derivatives. These are compounds containing a quinoline moiety which bears a ketone group.","DirectParent":"Quinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01929","Name":"5-Chloryl-2,4,6-Quinazolinetriamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01930","Name":"2,4-Dihydroxy-3,3-Dimethyl-Butyrate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01931","Name":"Dcka, 5,7-Dichlorokynurenic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01932","Name":"5-Methylpyrrole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01933","Name":"7-Hydroxystaurosporine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.","DirectParent":"Indolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01934","Name":"N-Methyl-N-(10-Methylundecanoyl)-D-Seryl-L-Alanyl-N~1~-[(7s,10s,13s)-13-Carboxy-3,18-Dihydroxy-10-Methyl-8,11-Dioxo-9,12-Diazatricyclo[13.3.1.1~2,6~]Icosa-1(19),2(20),3,5,15,17-Hexaen-7-Yl]-N~1~-Methylglycinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01935","Name":"3-{[(1r)-1-Benzyl-2-Sulfanylethyl]Amino}-3-Oxopropanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01936","Name":"Ribose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.","DirectParent":"Pentoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01937","Name":"Guanosine-2'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01938","Name":"L-Histidine Beta Naphthylamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01939","Name":"5-Amidino-Benzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01940","Name":"Balanol Analog 2","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01941","Name":"6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Cyclopropyl]Pyridine-3-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01942","Name":"Formic Acid","DrugType":"small molecule","HalfLife":"","Description":"Formic acid (systematically called methanoic acid) is the simplest carboxylic acid. It is an important intermediate in chemical synthesis and occurs naturally, most famously in the venom of bee and ant stings. The principal use of formic acid is as a preservative and antibacterial agent in livestock feed. [Wikipedia]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"ORAL (LD\u003csub\u003e50\u003c/sub\u003e): Acute: 700 mg/kg [Mouse]. 1100 mg/kg [Rat]. 4000 mg/kg [Dog].","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"Formic acid is readily metabolized and eliminated by the body.","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01944","Name":"(S)-blebbistatin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.","DirectParent":"Pyrroloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Pyrroloquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01945","Name":"4-Carbamoyl-1-Beta-D-Ribofuranosyl-Imidazolium-5-Olate-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01946","Name":"3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01947","Name":"RU78262","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoyl derivatives. These are organic compounds containing an acyl moeity of benzoic acid with the formula (C6H5CO-).","DirectParent":"Benzoyl Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoyl Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01948","Name":"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01949","Name":"2-Amino-N,3,3-Trimethylbutanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01950","Name":"N-(4-Methoxybenzyl)-N'-(5-Nitro-1,3-Thiazol-2-Yl)Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrothiazoles. These are compounds containing a thiazole ring which bears a nitro group.","DirectParent":"Nitrothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01951","Name":"Gpi-1046","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01952","Name":"1,N6-Ethenoadenine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01953","Name":"Inhibitor of P38 Kinase","DrugType":"small molecule","HalfLife":"","Description":"Inhibitor of P38 Kinase is a solid. This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. This drug is known to target mitogen-activated protein kinase 14.","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01954","Name":"4-[3-(Cyclopentyloxy)-4-Methoxyphenyl]-2-Pyrrolidinone","DrugType":"small molecule","HalfLife":"","Description":"A phosphodiesterase inhibitor with antidepressant properties. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01955","Name":"1,4-Butanediol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01956","Name":"2-Aminoethanesulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"A conditionally essential nutrient, important during mammalian development. It is present in milk but is isolated mostly from ox bile and strongly conjugates bile acids. [PubChem]","Classification":{"Description":"This compound belongs to the sulfonic acids. 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These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01971","Name":"trans-urocanic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazolyl carboxylic acids and derivatives. 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These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01974","Name":"2-Amino-3-[5-(Amino-Carboxy-Methyl)-2,3-Dihydro-Isoxazol-3-Ylsulfanyl]-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01975","Name":"AMPCPR","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01976","Name":"Aminoanthracene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.","DirectParent":"Anthracenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01977","Name":"6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01978","Name":"7,9-Dimethylguanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01979","Name":"Methyl alpha-D-mannoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01980","Name":"Para-Iodo-D-Phenylalanine Hydroxamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01981","Name":"3,6-Anhydro-D-Galactose-2-Sulfate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group.","DirectParent":"Sulfuric Acid Monoesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Sulfuric Acids and Derivatives","SubClass":"Sulfuric Acid Monoesters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01982","Name":"D-Mannuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01983","Name":"2(S)-Amino-6-Boronohexanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01984","Name":"4-[2-(3-Benzyloxycarbonylamino-4-Cyclohexyl-1-Hydroxy-2-Oxo-Butylamino)-5-Guanidino-Pentanoylamino]-4-(1-Carboxy-2-Cyclohexyl-Ethylcarbamoyl)-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01985","Name":"N-Alpha-L-Acetyl-Arginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01986","Name":"3-Fluoro-2-Methyl-Aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01987","Name":"Thiamin Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the pyruvate dehydrogenase complex and the ketoglutarate dehydrogenase complex. [PubChem]","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01988","Name":"6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01989","Name":"Carbobenzoxy-Pro-Lys-Phe-Y(Po2)-Ala-Pro-Ome","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01990","Name":"Cholesterol-Sulfate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cholesterols and derivatives. These are compounds containing an hydroxylated chloestane moeity.","DirectParent":"Cholesterols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Cholesterols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01991","Name":"Tu-514","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the heterocyclic fatty acids. These are fatty acids containing an heterocyclic attached to the acyl chain.","DirectParent":"Heterocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Heterocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01992","Name":"Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"Coenzyme A (CoA, CoASH, or HSCoA) is a coenzyme, notable for its role in the synthesis and oxidation of fatty acids, and the oxidation of pyruvate in the citric acid cycle. All genomes sequenced to date encode enzymes that use coenzyme A as a substrate, and around 4% of cellular enzymes use it (or a thioester, such as acetyl-CoA) as a substrate. In humans, CoA biosynthesis requires cysteamine, pantothenate, and adenosine triphosphate. [Wikipedia]. It is used as a supplement for the hypothetical treatment of acne.","Classification":{"Description":"This compound belongs to the coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.","DirectParent":"Coenzyme A and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB01993","Name":"N-(5'-Phosphopyridoxyl)-D-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01994","Name":"2-(Pyrido[1,2-E]Purin-4-Yl)Amino-Ethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01995","Name":"5-Methylcytidine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01996","Name":"3-Methylpyridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01997","Name":"3-Bromo-7-Nitroindazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01998","Name":"2-[3,4-Dihydroxy-2-Hydroxymethyl-5-(2-Hydroxy-Nonyl)-Tetrahydro-Furan-2-Yloxy]-6-Hydroxymethyl-Tetra Hydro-Pyran-3,4,5-Triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB01999","Name":"5,10,15,20-Tetrakis(4-Sulpfonatophenyl)-21h,23h-Porphine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02000","Name":"Gamma-Phenyl-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02001","Name":"5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02002","Name":"2-Aminoprop-2-Enamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02003","Name":"Delta-Bis(2,2'-Bipyridine)Imidazole Ruthenium (Ii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02004","Name":"5-(Aminomethyl)-6-(2,4-Dichlorophenyl)-2-(3,5-Dimethoxyphenyl)Pyrimidin-4-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02005","Name":"2-Oxo-3-Pentenoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02006","Name":"Br-Coeleneterazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bromobenzenes. These are organic compounds containing a chlorine atom attached to a benzene ring.","DirectParent":"Bromobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02007","Name":"Alpha-D-Glucose-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02008","Name":"1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02009","Name":"L-756,423","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02010","Name":"Staurosporine","DrugType":"small molecule","HalfLife":"","Description":"An indolocarbazole that is a potent protein kinase C inhibitor which enhances cAMP-mediated responses in human neuroblastoma cells. (Biochem Biophys Res Commun 1995;214(3):1114-20)","Classification":{"Description":"This compound belongs to the indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.","DirectParent":"Indolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02011","Name":"N-(Phosphonoacetyl)-L-Ornithine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02013","Name":"Monoazido-Mu-Oxo-Diiron","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.","DirectParent":"Transition Metal Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Organides","SubClass":"Transition Metal Oxides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02014","Name":"Compound 9","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02015","Name":"Dihydrofolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihydrofolic acids and derivatives. These are heterocyclic compounds based on the 5,6-dihydropteroic acid/7,8-dihydropteroic acid skeleton (or a derivative thereof) conjugated with one or more L-glutamic acid units.","DirectParent":"Dihydrofolic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02016","Name":"R048-8071","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02017","Name":"Imidazole-Derived Cellobiose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02018","Name":"Amido Phenyl Pyruvic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.","DirectParent":"Phenylpyruvic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpyruvic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02019","Name":"Acetyl Dithranol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring.","DirectParent":"Anthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02020","Name":"Alrestatin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02021","Name":"Fidarestat","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02022","Name":"4-Amino-5-Hydroxymethyl-2-Methylpyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02023","Name":"8-Oxo-2'-Deoxy-Guanosine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02024","Name":"3-phenylpropionic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02025","Name":"L-D-(a-Aminoadipoyl)-L-Cysteinyl-D-Valine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02026","Name":"Furo[2,3d]Pyrimidine Antifolate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02027","Name":"N-{(4s)-4-Amino-5-[(2-Aminoethyl)Amino]Pentyl}-N'-Nitroguanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitramines.","DirectParent":"Nitramines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Nitro Compounds","SubClass":"Nitramines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02028","Name":"L-Alpha-Glycerophospho-D-Myo-Inositol-4,5-Bis-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02029","Name":"N-Cyclohexyl-N'-(4-Iodophenyl)Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02030","Name":"Alpha-Ribazole-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazole nucleosides and nucleotides. These are nucleoside or nucleotide analogues in which the imidazole moiety of benzimidazole is linked to a ribose (or ribose derivative).","DirectParent":"Benzimidazole Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02031","Name":"(6s)-5,6,7,8-Tetrahydrofolate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02032","Name":"1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02033","Name":"N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02034","Name":"Swainsonine","DrugType":"small molecule","HalfLife":"","Description":"An indolizidine alkaloid from the plant Swainsona canescens that is a potent alpha-mannosidase inhibitor. Swainsonine also exhibits antimetastatic, antiproliferative, and immunomodulatory activity. [PubChem]","Classification":{"Description":"This compound belongs to the indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen.","DirectParent":"Indolizidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indolizidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02035","Name":"1-Hexadecylsulfonyl Fluoride","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonyl fluorides. These are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom.","DirectParent":"Sulfonyl Fluorides","Kingdom":"Organic Compounds","SuperClass":"Organic Halides","Class":"Sulfonyl Halides","SubClass":"Sulfonyl Fluorides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02036","Name":"2-(3,4-Dihydro-3-Oxo-2h-Benzo[B][1,4]Thiazin-2-Yl)-N-Hydroxyacetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02037","Name":"2,4-Diamino-4,6-Dihydroxypyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.","DirectParent":"Pyrimidines and Pyrimidine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02038","Name":"D-Pyridoxyl-N,O-Cycloserylamide-5-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxazolidinones. These are compounds containing an oxatriazolidinone moiety, which is an oxatriazolidine bearing a ketone group.","DirectParent":"Oxazolidinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Oxazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02039","Name":"S-Acetyl-Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02041","Name":"4-Aminophthalhydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phthalazinones. These are compounds containing a phthalazine bearing a ketone group.","DirectParent":"Phthalazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Phthalazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02042","Name":"2-(2-{2-[2-(2-Methoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02043","Name":"1,2-Dipalmitoyl-Phosphatidyl-Glycerole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylglycerols. These are glycerophosphoglycerols in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages.","DirectParent":"Phosphatidylglycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoglycerols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02044","Name":"N-(3-(Aminomethyl)Benzyl)Acetamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02045","Name":"Amylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02046","Name":"N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02047","Name":"2-(1,1'-Biphenyl-4-Yl)Propanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02048","Name":"1,2,4-Triazole-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.","DirectParent":"Triazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02049","Name":"2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02051","Name":"3-[N-[Benzyloxycarbonyl]-Phenylalaninyl-Amino]-5-Phenyl-Pentane-1-Sulfonic Acid 4-Nitro-Phenyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02052","Name":"Indirubin-3'-Monoxime","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02053","Name":"Ribose-5-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02054","Name":"Gabaculine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02055","Name":"N-Butyl-Benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02056","Name":"(5e,13e)-9,15-Dihydroxy-11-Oxoprosta-5,13-Dien-1-Oicacid","DrugType":"small molecule","HalfLife":"","Description":"The principal cyclooxygenase metabolite of arachidonic acid. It is released upon activation of mast cells and is also synthesized by alveolar macrophages. Among its many biological actions, the most important are its bronchoconstrictor, platelet-activating-factor-inhibitory, and cytotoxic effects. [PubChem]","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02057","Name":"AMPA","DrugType":"small molecule","HalfLife":"","Description":"AMPA is a specific agonist for the AMPA receptor.","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02058","Name":"SU4984","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02059","Name":"Adenosine-5-Diphosphoribose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02060","Name":"Cyclohexanone","DrugType":"small molecule","HalfLife":"","Description":"Cyclohexanone (also known as oxocyclohexane, pimelic ketone, ketohexamethylene, cyclohexyl ketone or ketocyclohexane) is a six-carbon cyclic molecule with a ketone functional group. It is a colorless, oily liquid with an acetone-like smell.","Classification":{"Description":"This compound belongs to the cyclohexanones. These are compounds containing a cyclohexane moiety which bears a keto group.","DirectParent":"Cyclohexanones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02061","Name":"Cellobiose","DrugType":"small molecule","HalfLife":"","Description":"A disaccharide consisting of two glucose units in beta (1-4) glycosidic linkage. Obtained from the partial hydrolysis of cellulose. [PubChem]","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02062","Name":"N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02063","Name":"CRA_16847","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02065","Name":"4-Deoxylactose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02066","Name":"N7-Methyl-Formycin A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02067","Name":"Triglu-5-Formyl-Tetrahydrofolate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02068","Name":"Delta-Amino Valeric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.","DirectParent":"Delta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02069","Name":"N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02070","Name":"L-2-Amino-4-[2-Aminophenyl]-4-Oxobutanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.","DirectParent":"Butyrophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Butyrophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02071","Name":"WAY-151693","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02072","Name":"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02073","Name":"Biliverdine Ix Alpha","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02074","Name":"Butenoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.","DirectParent":"Enones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02075","Name":"(1s)-1(9-Deazahypoxanthin-9yl)1,4-Dideoxy-1,4-Imino-D-Ribitol-5-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02076","Name":"6-Phosphogluconic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02077","Name":"L-N(Omega)-Nitroarginine-(4r)-Amino-L-Proline Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02078","Name":"1-Methoxy-2-[2-(2-Methoxy-Ethoxy]-Ethane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02079","Name":"(Aminooxy)Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02080","Name":"1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02081","Name":"Bis-Benzamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group.","DirectParent":"Tropones","Kingdom":"Organic Compounds","SuperClass":"Tropones","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02082","Name":"Phosphoaminophosphonic Acid Guanylate Ester","DrugType":"small molecule","HalfLife":"","Description":"A non-hydrolyzable analog of GTP, in which the oxygen atom bridging the beta to the gamma phosphate is replaced by a nitrogen atom. It binds tightly to G-protein in the presence of Mg2+. The nucleotide is a potent stimulator of adenylate cyclase. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02083","Name":"Dimethylglycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02084","Name":"CRA_17312","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02085","Name":"1-Aminocyclopropanecarboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02086","Name":"(3,4-Dihydroxy-Phenyl)-Triphenyl-Arsonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity.","DirectParent":"Catechols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02087","Name":"3,5-Difluorobenzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02088","Name":"Norleucine Phosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02089","Name":"CP-526423","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02090","Name":"A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02091","Name":"4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.","DirectParent":"2,4,5-trisubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02092","Name":"Cholesteryl Linoleate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cholesteryl esters. These are compounds containing an esterified cholestane moiety.","DirectParent":"Cholesteryl Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02093","Name":"5-Phospho-D-Arabinohydroxamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02094","Name":"N-2-Thiophen-2-Yl-Acetamide Boronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R'=alkyl,aryl).","DirectParent":"Boronic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Boronic Acid Derivatives","SubClass":"Boronic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02095","Name":"Isatin","DrugType":"small molecule","HalfLife":"","Description":"Isatin is an indole derivative. The compound was first obtained by Erdman and Laurent in 1841 as a product from the oxidation of Indigo dye by nitric acid and chromic acids. The compound is found in many plants and Schiff bases of Isatin are investigated for their pharmaceutical properties. [Wikipedia]","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02096","Name":"FR221647","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02097","Name":"Cytidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02098","Name":"Adenosine-2'-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside 2',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 2' and 5' hydroxyl groups of the ribose moiety.","DirectParent":"Purine Ribonucleoside 2',5'-Bisphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02099","Name":"S-azabisabolene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02100","Name":"Methyl alpha-galactoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02101","Name":"Fidarestat(Stereoisomer)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02102","Name":"DMP450","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.","DirectParent":"Anilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02103","Name":"2-Chlorodideoxyadenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02104","Name":"2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02105","Name":"3,5-Dinitrocatechol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02106","Name":"[3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bromodiphenyl ethers. These are ether derivatives of bromodiphenyl.","DirectParent":"Bromodiphenyl Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Bromodiphenyl Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02107","Name":"Leucine - Reduced Carbonyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02108","Name":"2-Aminoethanimidic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aldimines. These are organic compounds containing the aldimine functional group.","DirectParent":"Aldimines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Imines","SubClass":"Aldimines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02109","Name":"Hadacidin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02110","Name":"Protoporphyrin Ix Containing Co","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02111","Name":"3-Hydroxyisoxazole-4-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, whose structure is characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.","DirectParent":"Isoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Isoxazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02112","Name":"Zk-806450","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02113","Name":"6-Methylpurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02114","Name":"Para-Isopropylaniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02115","Name":"Daidzin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbene glycosides. These are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.","DirectParent":"Stilbene Glycosides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":"Stilbene Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02116","Name":"Olomoucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02118","Name":"CP-271485","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02119","Name":"6-Hydroxymethyl-7,8-Dihydropterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02120","Name":"6-Amino-4-Hydroxymethyl-Cyclohex-4-Ene-1,2,3-Triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitols and derivatives. These are cyclitols with at least one hydroxyl group replace by an amino group.","DirectParent":"Aminocyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02121","Name":"Butyramide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.","DirectParent":"Primary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02122","Name":"4-iodo-acetamido phenylboronic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02123","Name":"Glycochenodeoxycholic Acid","DrugType":"small molecule","HalfLife":"","Description":"A bile salt formed in the liver from chenodeoxycholate and glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic. [PubChem]","Classification":{"Description":"This compound belongs to the dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.","DirectParent":"Dihydroxy Bile Acids, Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02124","Name":"(2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.","DirectParent":"Cyclic Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02125","Name":"Adamantanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the adamantanones. These are adamantanes in which the a ketone group is attached to the tricyclo[3.3.1.1]decane ring.","DirectParent":"Adamantanones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02126","Name":"4-Carboxycinnamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02127","Name":"Methylphosphonic Acid Diisopropyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphonic acid esters. These are organic compounds containing phosphonic acid ester functional group.","DirectParent":"Phosphonic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Phosphonic Acid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02128","Name":"[1-(3-Hydroxy-2-Oxo-1-Phenethyl-Propylcarbamoyl)2-Phenyl-Ethyl]-Carbamic Acid Pyridin-4-Ylmethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02129","Name":"Dihydroorotic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02130","Name":"4-Hydroxy-3-Methoxybenzoate","DrugType":"small molecule","HalfLife":"","Description":"A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13). [PubChem]","Classification":{"Description":"This compound belongs to the m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.","DirectParent":"M-methoxybenzoic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02131","Name":"N-1-Methylheptylformamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).","DirectParent":"Secondary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02132","Name":"[3-(4-Bromo-2-Fluoro-Benzyl)-7-Chloro-2,4-Dioxo-3,4-Dihydro-2h-Quinazolin-1-Yl]-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02133","Name":"Chlorophyll A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02134","Name":"Xanthine","DrugType":"small molecule","HalfLife":"","Description":"A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed)","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB02135","Name":"4-{2,6,8-Trioxo-9-[(2r,3s,4r)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Butyl Dihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02136","Name":"Cephalosporin Analog","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02137","Name":"Molybdenum Cofactor","DrugType":"small molecule","HalfLife":"","Description":"Absence of molybdenum cofactor leads to accumulation of toxic levels of sulphite and neurological damage usually leading to death within months of birth, due to the lack of active sulfite oxidase.","Classification":{"Description":"This compound belongs to the pyranopterins and derivatives. These are pterin derivatives in which a pyran ring is fused either to the pyrimidine ring or the pyrazine ring of the pterin moiety.","DirectParent":"Pyranopterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02138","Name":"Diethyl 4-Methylbenzylphosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.","DirectParent":"Toluenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Toluenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02139","Name":"(2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02140","Name":"N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02141","Name":"S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02142","Name":"Pyridoxamine-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02143","Name":"N-Isopropyl-N'-Hydroxyguanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02144","Name":"1,2-Diacyl-Sn-Glycero-3-Phosphoinositol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylinositols. These are glycerophosphoinositols where the glycerol is esterified with two fatty acids.","DirectParent":"Phosphatidylinositols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoinositols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02145","Name":"Butan-1-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02146","Name":"Atrazine Glutathione Conjugate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02147","Name":"Cyclo-Tetrametavanadate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the miscellaneous vanadates. These are inorganic compounds in which the largest metallic oxoanion is vanadate, to which either no atom or a non metal atom is bonded.","DirectParent":"Miscellaneous Vanadates","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Miscellaneous Mixed Metal/Non-metals","SubClass":"Miscellaneous Metallic Oxoanionic Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02148","Name":"3-Amino-4-Oxybenzyl-2-Butanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02151","Name":"Methionine Phosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02152","Name":"K-252a","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.","DirectParent":"Indolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02153","Name":"3-Sulfinoalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02154","Name":"2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.","DirectParent":"Dibenzylbutane Lignans","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"Dibenzylbutane Lignans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02155","Name":"Balanol Analog 8","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02156","Name":"Sulfopyruvate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02158","Name":"(1s)-1-(9-Deazaadenin-9-Yl)-1,4,5-Trideoxy-1,4-Imino-5-Methylthio-D-Ribitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02159","Name":"R-1,2-Propanediol","DrugType":"small molecule","HalfLife":"","Description":"A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations. [PubChem]","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02160","Name":"S-Butyryl-Cystein","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02161","Name":"Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02162","Name":"5'-O-(N-Ethyl-Sulfamoyl)Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02163","Name":"2,5-Xylidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.","DirectParent":"Anilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02164","Name":"N-Sulfo-Flavin Mononucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, whose structure is characterized by an isoalloaxzine tricyclic ring.","DirectParent":"Flavins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Alloxazines and Isoalloxazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02165","Name":"Zinc Trihydroxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.","DirectParent":"Transition Metal Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Organides","SubClass":"Transition Metal Oxides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02166","Name":"Propidium","DrugType":"small molecule","HalfLife":"","Description":"Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits. [PubChem]","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02167","Name":"N,N-Dimethyl-L-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02168","Name":"Bromopurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02169","Name":"9,10-Deepithio-9,10-Didehydroacanthifolicin","DrugType":"small molecule","HalfLife":"","Description":"A specific inhibitor of phosphoserine/threonine protein phosphatase 1 and 2a. It is also a potent tumor promoter. (Thromb Res 1992;67(4):345-54 \u0026 Cancer Res 1993;53(2):239-41)","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02170","Name":"1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9.","DirectParent":"Xanthones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Dibenzopyrans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02171","Name":"D-Fructose-6-Phosphate (Open Form)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02172","Name":"2,5-Dideoxy-2,5-Imino-D-Glucitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-member saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.","DirectParent":"Pyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02173","Name":"Co(Iii)-(Deuteroporphyrin Ix)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02174","Name":"D-Glutamine","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from glutamic acid and ammonia. It is the principal carrier of nitrogen in the body and is an important energy source for many cells. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02175","Name":"Malonic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00456","Drugs":["DB00121","DB02175","DB03166","DB03568","DB03600","DB04519","DB04524"]}]},{"ID":"DB02176","Name":"Mercury Acetate Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02177","Name":"1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.","DirectParent":"Pyridinylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Pyridinylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02178","Name":"Phenylacetaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02179","Name":"O-Trifluoromethylphenyl Anthranilic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02180","Name":"Myristoyl-Coa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02181","Name":"2'-Deoxyguanosine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02182","Name":"Hybrid Between B and C Type Hemes (Protoporphyrin Ixcontaining Fe)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02183","Name":"Adenosine-5'-Ditungstate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02184","Name":"(2s,3s)-1,4-Dimercaptobutane-2,3-Diol","DrugType":"small molecule","HalfLife":"","Description":"A reagent commonly used in biochemical studies as a protective agent to prevent the oxidation of SH (thiol) groups and for reducing disulphides to dithiols. [PubChem]","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02185","Name":"2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) breaing a ketone group.","DirectParent":"Benzoxazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazines","SubClass":"Benzoxazinones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02186","Name":"N-Acetyl-D-Galactosamine 6-Sulfate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02187","Name":"Equilin","DrugType":"small molecule","HalfLife":"","Description":"An estrogenic steroid produced by horses. It has a total of four double bonds in the A- and B-ring. High concentration of euilin is found in the urine of pregnant mares. [PubChem]\r\n\r\nEquilin is one of the estrogens present in the mixture of estrogens isolated from horse urine and marketed as Premarin. Premarin became the most commonly used form of estrogen for hormone replacement therapy in the United States of America. Estrone is the major estrogen in Premarin (about 50%) and equilin is present as about 25% of the total. Estrone is a major estrogen that is normally found in women. Equilin is not normally present in women, so there has been interest in the effects of equilin on the human body. [Wikipedia]\r\n\r\nThe estrogens in Premarin are present mainly as \"conjugates\", modified chemical forms in which the active estrogen is coupled to another chemical group such as sulfate. Estrone sulfate is usually the major form of estrogen in women. After being taken into a woman's body, the conjugated estrogens of Premarin are converted to the active unconjugated estrogens or excreted from the woman's body. Estrone can be converted to estradiol, which is thought to be the major active estrogen in women. [Wikipedia]","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"For the treatment of moderate to severe vasomotor symptoms associated with the menopause, atrophic vaginitis, osteoporosis, hypoestrogenism due to hypogonadism, castration, primary ovarian failure, breast cancer (for palliation only), and Advanced androgen-dependent carcinoma of the prostate (for palliation only)","Toxicity":"","MechanismOfAction":"Estrogens enter the cells of responsive tissues (e.g., female organs, breasts, hypothalamus, pituitary) where they interact with a protein receptor, subsequently increasing the rate of synthesis of DNA, RNA, and some proteins. Estrogens decrease the secretion of gonadotropin-releasing hormone by the hypothalamus, reducing the secretion of follicle-stimulating hormone (FSH) and luteinizing hormone (LH) from the pituitary.","Pharmacodynamics":"Equilin is a component of Premarin (conjugated estrogens), a mixture of the water soluble salts of sulfate esters from estrone, equilin, 17 alpha-dihydroequilin, and other related steroids, may be derived from pregnant equine urine or yam and soy plants. Estrogens are important in the development and maintenance of the female reproductive system and secondary sex characteristics. They promote growth and development of the vagina, uterus, and fallopian tubes, and enlargement of the breasts. Indirectly, they contribute to the shaping of the skeleton, maintenance of tone and elasticity of urogenital structures, changes in the epiphyses of the long bones that allow for the pubertal growth spurt and its termination, growth of axillary and pubic hair, and pigmentation of the nipples and genitals. Decline of estrogenic activity at the end of the menstrual cycle can bring on menstruation, although the cessation of progesterone secretion is the most important factor in the mature ovulatory cycle. However, in the preovulatory or nonovulatory cycle, estrogen is the primary determinant in the onset of menstruation. Estrogens also affect the release of pituitary gonadotropins. The pharmacologic effects of conjugated estrogens are similar to those of endogenous estrogens.","Absorption":"Well absorbed.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB02188","Name":"N-Methylmesoporphyrin Containing Copper","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next.","DirectParent":"Tetrapyrroles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02189","Name":"2',3'-Dideoxyadenosine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine 2',3'-dideoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking an hydroxyl group at positions 2 and 3.","DirectParent":"Purine 2',3'-dideoxyribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02190","Name":"2-Oxalosuccinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02191","Name":"(7as,12ar,12bs)-1,2,3,4,7a,12,12a,12b-Octahydroindolo[2,3-a]Quinolizin-7(6h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.","DirectParent":"Beta Carbolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyridoindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02192","Name":"2-Phenyl-Ethanol","DrugType":"small molecule","HalfLife":"","Description":"An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery. [PubChem]","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02193","Name":"2-(2-Hydroxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02194","Name":"8-Benzyl-2-Hydroxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tyrosols and derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.","DirectParent":"Tyrosols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02195","Name":"3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.","DirectParent":"Phenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02196","Name":"Uridine-Diphosphate-N-Acetylgalactosamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02197","Name":"4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02198","Name":"2-Bromoacetyl Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02199","Name":"1,3-Dedimethyl-1,3-Divinyl Heme","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02200","Name":"3-[N-[Benzyloxycarbonyl]-Phenylalaninyl-Amino]-5-Phenyl-Pentane-1-Sulfonylmethylbenzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02201","Name":"Malonate Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02202","Name":"1,3-Butanediol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02203","Name":"Acetone Cyanohydrin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).","DirectParent":"Tertiary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Tertiary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02205","Name":"6-(1,1-Dimethylallyl)-2-(1-Hydroxy-1-Methylethyl)-2,3-Dihydro-7h-Furo[3,2-G]Chromen-7-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the linear furanocoumarins. These are furanocoumarins, whose structure is characterized by a furan ring linearly fused to a coumarin.","DirectParent":"Linear Furanocoumarins","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":"Furanocoumarins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02207","Name":"7-Nitroindazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02209","Name":"Pyridoxine-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridoxine-5'-phosphates.","DirectParent":"Pyridoxine-5'-phosphates","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridoxines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02210","Name":"Hexane-1,6-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","DirectParent":"Fatty Alcohols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Alcohols","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02211","Name":"N-Methyl-N-Propargyl-1(R)-Aminoindan","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.","DirectParent":"Indanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02213","Name":"Metanitrophenyl-Alpha-D-Galactoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02214","Name":"6,7-Dioxo-5h-8-Ribitylaminolumazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.","DirectParent":"Pteridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02215","Name":"Furoyl-Leucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02216","Name":"S-Methylcysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02217","Name":"Dpb-T","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02218","Name":"N-[4-Hydroxymethyl-Cyclohexan-6-Yl-1,2,3-Triol]-4,6-Dideoxy-4-Aminoglucopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02219","Name":"3-Cyclohexyl-1-Propylsulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02220","Name":"Al7089a","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02221","Name":"4-(Aminosulfonyl)-N-[(2,4,6-Trifluorophenyl)Methyl]-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02222","Name":"2,6-Diamino-(S)-9-[2-(Phosphonomethoxy)Propyl]Purine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02223","Name":"Ly231514 Tetra Glu","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02224","Name":"(2s,3s)-Trans-Dihydroquercetin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavanonols. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing an hydroxyl group and a ketone at the carbon C2 and C3, respectively.","DirectParent":"Flavanonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02225","Name":"1,2-Di-N-Pentanoyl-Sn-Glycero-3-Dithiophosphocholine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycero-3-dithiophosphocholines. These are glycerolipids in which the glycerol moiety is esterified at two positions with a fatty acyl chain, and linked a third position (O3) with a dithiophosphocholine.","DirectParent":"Glycero-3-dithiophosphocholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycero-3-dithiophosphocholines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02226","Name":"3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02227","Name":"4,5-Dihydroxy-Tetrahydro-Pyran-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyran carboxylic acids. These are compounds containing a pyran ring which bears a carboxylic acid group.","DirectParent":"Pyran Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyran Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02228","Name":"2-Fluoro-2-Deoxy-Beta-D-Galactopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02229","Name":"5'-O-[(L-Methionyl)-Sulphamoyl]Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02230","Name":"Immucillin-G","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02232","Name":"1,2-Dihydroxybenzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity.","DirectParent":"Catechols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB02233","Name":"6-Hydroxy-D-Norleucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02234","Name":"Ethylisothiourea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02235","Name":"Methionine Sulfoxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02236","Name":"Glycinamide Ribonucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycoamino acids and derivatives. These are saccharides attached to a single amino acid by any kind of covalent bond. A glycosyl-amino-acid is a compound consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.","DirectParent":"Glycoamino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02237","Name":"Maltotetraose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetrahexoses. These are tetrasaccharides containing four hexose carbohydrates.","DirectParent":"Tetrahexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Tetrasaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02238","Name":"4-(Methylsulfanyl)-2-Oxobutanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00221","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00340","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00570","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]}]},{"ID":"DB02239","Name":"Laevulinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.","DirectParent":"Gamma Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Gamma Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02240","Name":"N-{(1s)-4-[Bis(2-Chloroethyl)Amino]-1-Methylbutyl}-N-(6-Chloro-2-Methoxy-9-Acridinyl)Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02241","Name":"8-Benzyl-2-Hydroperoxy-2-(4-Hydroxy-Benzyl)-6-(4-Hydroxy-Phenyl)-2h-Imidazo[1,2-a]Pyrazin-3-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tyrosols and derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.","DirectParent":"Tyrosols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02242","Name":"Cyclohexane Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02243","Name":"4-Morpholin-4-Yl-Piperidine-1-Carboxylic Acid [1-(3-Benzenesulfonyl-1-Propyl-Allylcarbamoyl)-2-Phenylethyl]-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02245","Name":"7-Deazaguanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02247","Name":"Hydrolyzed Cephalothin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02248","Name":"3-Methyl-5-Sulfo-Pyrrolidine-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02249","Name":"2-Ethoxyethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02250","Name":"Cu-Bicyclam","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02251","Name":"O-Succinylbenzoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.","DirectParent":"Butyrophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Butyrophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02252","Name":"Iodophenyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02253","Name":"(1r)-4-[(1e,3e,5e,7z,9e,11z,13e,15e)-17-Hydroxy-3,7,12,16-Tetramethylheptadeca-1,3,5,7,9,11,13,15-Octaen-1-Yl]-3,5,5-Trimethylcyclohex-3-En-1-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02254","Name":"Trifluoro-thiamin phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02255","Name":"GM6001","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02256","Name":"2'-Deoxyuridine","DrugType":"small molecule","HalfLife":"","Description":"2\u0026#39;-Deoxyuridine. An antimetabolite that is converted to deoxyuridine triphosphate during DNA synthesis. Laboratory suppression of deoxyuridine is used to diagnose megaloblastic anemias due to vitamin B12 and folate deficiencies. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02257","Name":"N-Bromoacetyl-Aminoethyl Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.","DirectParent":"Phosphoethanolamines","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02258","Name":"SR11254","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02259","Name":"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02260","Name":"4-Oxosebacic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.","DirectParent":"Medium-chain Keto Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Medium-chain Keto Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02261","Name":"Platelet Activating Factor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the other glycerophosphocholines. These are glycerophosphocholines whose structure is based on either of the following skeletons","DirectParent":"Other Glycerophosphocholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02262","Name":"Orotic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidinecarboxylic acids. These are pyrimidines whose structure contain a carboxyl group attached to the pyrimidine ring.","DirectParent":"Pyrimidinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02263","Name":"Glyceraldehyde-3-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"An aldotriose which is an important intermediate in glycolysis and in tryptophan biosynthesis. [PubChem]","Classification":{"Description":"This compound belongs to the glyceraldehyde-3-phosphates. These are compounds containing a glyceraldehyde substituted at position O3 by a phosphate group.","DirectParent":"Glyceraldehyde-3-phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00520","Drugs":["DB01592","DB02263","DB04326"]},{"ID":"SMP00124","Drugs":["DB02263","DB04326"]},{"ID":"SMP00519","Drugs":["DB01592","DB02263","DB04326"]},{"ID":"SMP00355","Drugs":["DB00139","DB01677","DB02263","DB04326"]},{"ID":"SMP00518","Drugs":["DB01592","DB02263","DB04326"]},{"ID":"SMP00031","Drugs":["DB01592","DB02263","DB04326"]},{"ID":"SMP00064","Drugs":["DB01593","DB02263","DB03283","DB04326"]},{"ID":"SMP00561","Drugs":["DB01593","DB02263","DB03283","DB04326"]},{"ID":"SMP00725","Drugs":["DB01593","DB02263","DB03283","DB04326"]},{"ID":"SMP00128","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00573","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00374","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00563","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00040","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00581","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00531","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00562","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00560","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00572","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00574","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00654","Drugs":["DB00119","DB00121","DB00130","DB00139","DB00142","DB01345","DB01677","DB01709","DB01819","DB02263","DB04272","DB04326"]}]},{"ID":"DB02264","Name":"O2-Sulfo-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02265","Name":"Ethyl-Trimethyl-Silane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02266","Name":"Flufenamic Acid","DrugType":"small molecule","HalfLife":"","Description":"An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16)","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02267","Name":"Argininosuccinate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02268","Name":"4-(Acetylamino)-3-Amino Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02269","Name":"[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02270","Name":"Dimethylallyl S-Thiolodiphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphoric acids. These are organic compounds containing phosphoric acid.","DirectParent":"Organic Phosphoric Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organic Phosphoric Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02271","Name":"S-(2-Oxo)Pentadecylcoa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.","DirectParent":"Coenzyme A and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02272","Name":"Porphobilinogen","DrugType":"small molecule","HalfLife":"","Description":"Porphobilinogen is a pyrrole involved in porphyrin metabolism. It is generated by the enzyme ALA dehydratase, and converted into hydroxymethyl bilane by the enzyme porphobilinogen deaminase.","Classification":{"Description":"This compound belongs to the substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.","DirectParent":"Substituted Pyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02273","Name":"2,6-Dimethyl-7-Octen-2-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).","DirectParent":"Tertiary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Tertiary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02274","Name":"7-Keto-8-Aminopelargonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.","DirectParent":"Medium-chain Keto Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Medium-chain Keto Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02275","Name":"[2-Aminomethyl-5-Oxo-4-(4-Oxo-Cyclohexa-2,5-Dienylmethyl)-4,5-Dihydro-Imidazol-1-Yl] -Acetaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazolinones. These are organic compounds containing an imidazolinone moiety, which is an imidazoline ring bearing a ketone.","DirectParent":"Imidazolinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolines","SubClass":"Imidazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02276","Name":"(S)-2-(Phosphonoxy)Caproyl-L-Leucyl-P-Nitroanilide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02277","Name":"1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02278","Name":"7,8-Dihydro-7,7-Dimethyl-6-Hydroxypterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02279","Name":"Benzoylformic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02280","Name":"(R)-Mandelic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02281","Name":"Formycin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidine nucleosides and nucleotides. These are nucleoside or nucleotide analogues containing a pyrazolopyrimidine moiety is linked to a ribose (or ribose derivative).","DirectParent":"Pyrazolopyrimidine Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02282","Name":"5'-Deoxy-5'-Methylthioadenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02283","Name":"2-Phenylamino-Ethanesulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02285","Name":"Protoporphyrin Ix","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00345","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00346","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00344","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00024","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00342","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]}]},{"ID":"DB02286","Name":"2-Amino-3-(4-Amino-1h-Indol-3-Yl)Propanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02287","Name":"2-(2-Hydroxy-Phenyl)-3h-Benzoimidazole-5-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02288","Name":"CRA_9334","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02289","Name":"2-Aminopropanedioic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02290","Name":"3-{2,6,8-Trioxo-9-[(2s,3s,4r)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Propyl Dihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02292","Name":"6-Oxo-8,9,10,11-Tetrahydro-7h-Cyclohepta[C][1]Benzopyran-3-O-Sulfamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02293","Name":"2,3-Di-O-Phytanly-3-Sn-Glycero-1-Phosphoryl-3'-Sn-Glycerol-1'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle.","DirectParent":"Acyclic Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02294","Name":"(5r,6s,7s,8s)-5-Hydroxymethyl-6,7,8-Trihydroxy-Tetrazolo[1,5-a]Piperidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetrazoles. These are organic compounds containing a tetrazole ring, which is a five-member aromatic heterocycle made up of four nitrogen atoms and a one carbon atom.","DirectParent":"Tetrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02295","Name":"N-[3-(Dimethylamino)Propyl]-2-({[4-({[4-(Formylamino)-1-Methyl-1h-Pyrrol-2-Yl]Carbonyl}Amino)-1-Methyl-1h-Pyrrol-2-Yl]Carbonyl}Amino)-5-Isopropyl-1,3-Thiazole-4-Carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.","DirectParent":"Thiazolecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02296","Name":"1-Hydroxy-3-Methylbutane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02297","Name":"2-Amino-6-Chloropyrazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.","DirectParent":"Pyrazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02298","Name":"5-Hydroxyamino-3-Methyl-Pyrrolidine-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02299","Name":"Arginineamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02300","Name":"Calcipotriol","DrugType":"small molecule","HalfLife":"","Description":"Calcipotriol (INN) or calcipotriene (USAN) is a sythetic derivative of calcitriol or Vitamin D.","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"For the treatment of moderate plaque psoriasis in adults.","Toxicity":"Topically applied calcipotriene can be absorbed in sufficient amounts to produce systemic effects. Elevated serum calcium has been observed with excessive use of calcipotriene.","MechanismOfAction":"The precise mechanism of calcipotriol in remitting psoriasis is not well-understood. However, it has been shown to have comparable affinity with calcitriol for the Vitamin D receptor, while being less than 1% as active as the calcitriol in regulating calcium metabolism. The Vitamin D receptor (VDR) belongs to the steroid/thyroid receptor superfamily, and is found on the cells of many different tissues including the thyroid, bone, kindney, and T cells of the immune system. T cells are known to play a role in psoriasis, and it is thought that the binding of calcipotriol to the VDR modulates the T cells gene transcription of cell differentiation and proliferation related genes.","Pharmacodynamics":"Calcipotriene is a synthetic analog of vitamin D. In humans, the natural supply of vitamin D depends mainly on exposure to the ultraviolet rays of the sun for conversion of 7-dehydrocholesterol to vitamin D3 (cholecalciferol) in the skin. ","Absorption":"Clinical studies with radiolabeled ointment indicate that approximately 6% (+3%, SD) of the applied dose of calcipotriene is absorbed systemically when the ointment is applied topically to psoriasis plaques or 5% (+2.6%, SO) when applied to normal skin.","Interactions":[{"ID":"DB01436"},{"ID":"DB06723"},{"ID":"DB00169"},{"ID":"DB01083"},{"ID":"DB00364"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB02301","Name":"5,10-Methylene-6-Hydrofolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02302","Name":"N3, N4-Dimethylarginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02303","Name":"(5s)-5-Iododihydro-2,4(1h,3h)-Pyrimidinedione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02304","Name":"Prostaglandin B2","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02305","Name":"4,5-Dehydro-D-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyran carboxylic acids and derivatives. These are compounds containing a pyran ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Pyran Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyran Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02306","Name":"Palmitoyl-Linoleoyl Phosphatidylcholine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.","DirectParent":"Phosphatidylcholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02307","Name":"N-(1-Carboxy-3-Phenylpropyl)Phenylalanyl-Alpha-Asparagine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptidomimetics. These are compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide.","DirectParent":"Peptidomimetics","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02308","Name":"4-(1,3,2-Dioxaborolan-2-Yloxy)Butan-1-Aminium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dioxaborolanes. These are compounds containing a five-member saturated aliphatic heterocycle made up of two oxygen atoms, a boron atom, and three carbon atoms.","DirectParent":"Dioxaborolanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dioxaborolanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02309","Name":"5--Monophosphate-9-Beta-D-Ribofuranosyl Xanthine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02310","Name":"3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.","DirectParent":"Phenanthrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Phenanthrolines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02311","Name":"Methyl Methylsulfinylmethyl Sulfide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).","DirectParent":"Sulfoxides","Kingdom":"Organic Compounds","SuperClass":"Organosulfur Compounds","Class":"Sulfoxides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02312","Name":"Beta-Galactose-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02313","Name":"4-{2-(4-Fluoro-Benzyl)-6-Methyl-5-[(5-Methyl-Isoxazole-3-Carbonyl)-Amino]-4-Oxo-Heptanoylamino}-5-(2-Oxo-Pyrrolidin-3-Yl)-Pentanoic Acid Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02314","Name":"Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine-D-Glutamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycopeptides and derivatives. These are compounds in which a carbohydrate component is linked to a peptide/protein component.","DirectParent":"Glycopeptides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02315","Name":"Cyclic Guanosine Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3\u0026#39;- and 5\u0026#39;-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed)","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02316","Name":"1-(5-Carboxypentyl)-5-[(2,6-Dichlorobenzyl)Oxy]-1 H-Indole-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.","DirectParent":"Indolecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02317","Name":"Alpha-D-Galactose-1-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00496","Drugs":["DB01592","DB01593","DB01861","DB02317"]},{"ID":"SMP00010","Drugs":["DB01592","DB01593","DB01861","DB02317"]},{"ID":"SMP00495","Drugs":["DB01592","DB01593","DB01861","DB02317"]},{"ID":"SMP00444","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00580","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00579","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00043","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]},{"ID":"SMP00182","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]}]},{"ID":"DB02318","Name":"2-Deoxy-2-Fluoro-Alpha-D-Mannosyl Fluoride","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02319","Name":"5,6-Dihydroxy-Nadp","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02320","Name":"1-N-Acetyl-Beta-D-Glucosamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02321","Name":"5-(3-Amino-4,4-Dihyroxy-Butylsulfanylmethyl)-Tetrahydro-Furan-2,3,4-Triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.","DirectParent":"Pentoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02322","Name":"Heparin Disaccharide I-S","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02323","Name":"EM-1745","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.","DirectParent":"Steroidal Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroidal Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02324","Name":"5-Iodo-2'-Deoxyuridine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02326","Name":"1-Hydroxyamine-2-Isobutylmalonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxamic acids. These are compounds containing an hydroxamic acid functional group in which an hydroxylamine is inserted into a carboxylic acid. Its general structure is R-CO-NH-OH, with an R as an organic residue.","DirectParent":"Hydroxamic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02327","Name":"2-[2-(2-Hydroxy-Ethoxy)-Ethoxy]-Ethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02328","Name":"2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Imino]-5-Phosphono-Pent-3-Enoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02329","Name":"Carbenoxolone","DrugType":"small molecule","HalfLife":"","Description":"An agent derived from licorice root. It is used for the treatment of digestive tract ulcers, especially in the stomach. Antidiuretic side effects are frequent, but otherwise the drug is low in toxicity. [PubChem]","Classification":{"Description":"This compound belongs to the oleanane triterpenes. These are triterpenes whose structure is based on the oleanane skeleton, an 4,4,6a,8a,11,11,14b-heptamethyl-hexadecahydropicene derivative.","DirectParent":"Oleanane Triterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Triterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02331","Name":"(2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02332","Name":"Flavin-N7 Protonated-Adenine Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavin nucleotides. These are nucleotides containing a flavin moiety.","DirectParent":"Flavin Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02333","Name":"Deoxyuridine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02334","Name":"(R)-2-Hydroxy-3-Sulfopropanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.","DirectParent":"Alpha Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Alpha Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02335","Name":"2-Aminothiazoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms.","DirectParent":"Thiazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolines","SubClass":"Thiazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02336","Name":"RU83876","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02337","Name":"S-(D-Carboxybutyl)-L-Homocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02338","Name":"Nadph Dihydro-Nicotinamide-Adenine-Dinucleotidephosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02339","Name":"Allyl-{6-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-Hexyl-}-Methyl-Amin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzofurans.","DirectParent":"Phenylbenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Phenylbenzofurans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02340","Name":"N-Acetyl-Serine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02341","Name":"Mdl 101,146","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02342","Name":"2-Methoxyestradiol","DrugType":"small molecule","HalfLife":"","Description":"2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumors need in order to grow (angiogenesis). It has undergone Phase 1 clinical trials against breast cancers. Preclinical models also suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis. [Wikipedia]","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"For the treatment of breast cancer and inflammatory diseases such as rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"2-Methoxyestradiol is an angiogenesis inhibitor, and has been shown to attack both tumor cells and their blood supply in preclinical testing. 2-methoxyestradiol is a naturally occurring estrogen metabolite but has no undesired estrogenic activity.","Pharmacodynamics":"2-Methoxyestradiol belongs to the family of drugs called angiogenesis inhibitors. It also acts as a vasodilator.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB02343","Name":"3,6,9,12,15-Pentaoxaheptadecane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02344","Name":"O-Sialic Acid (Chair Conformation)","DrugType":"small molecule","HalfLife":"","Description":"An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518)","Classification":{"Description":"This compound belongs to the neuraminic acid derivatives. These are compounds containingor dervivated from a neuraminic acid moeity (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid), which is a 9-carbon monosaccharide.","DirectParent":"Neuraminic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02345","Name":"Selenocysteine","DrugType":"small molecule","HalfLife":"","Description":"A naturally occurring amino acid in both eukaryotic and prokaryotic organisms. It is found in tRNAs and in the catalytic site of some enzymes. The genes for glutathione peroxidase and formate dehydrogenase contain the TGA codon, which codes for this amino acid. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00029","Drugs":["DB00133","DB00160","DB00640","DB02345","DB04553"]}]},{"ID":"DB02346","Name":"3'-O-N-Octanoyl-a-D-Glucopyranosyl-B-D-Fructofuranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty acyl glycosides. These are compounds containing fatty acid chain linked to a carbohydrate moiety through an ester bond.","DirectParent":"Fatty Acyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02347","Name":"2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02348","Name":"Fluoro-Phosphite Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the non-metal phosphonates.","DirectParent":"Non-Metal Phosphonates","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Non-metal Oxoanionic Compounds","SubClass":"Non-Metal Phosphonates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02349","Name":"Nicotinamide-Adenine-Dinucleotide-5-Hydroxy-4-Oxonorvaline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02350","Name":"N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02351","Name":"Hirulog","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptidomimetics. These are compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide.","DirectParent":"Peptidomimetics","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02352","Name":"3-(Benzyloxy)Pyridin-2-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02353","Name":"Heparin Disaccharide Iii-S","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02354","Name":"4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02355","Name":"Adenosine-5'-Rp-Alpha-Thio-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02356","Name":"4-Imidazolmethylene-5-Imidazolone Chromophore","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02357","Name":"Methyl-O3-(Alpha-D-Mannose)-Alpha-D-Mannose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02358","Name":"LY374571","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02359","Name":"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02360","Name":"Bis-Napthyl Beta-Ketophosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02361","Name":"S-Methyl Thiocysteine Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02362","Name":"4-Aminobenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"A member of the vitamin B complex. It used to be common in sunscreening agents until found to also be a sensitizer. The potassium salt is used therapeutically in fibrotic skin disorders. [PubChem]","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02363","Name":"2'-Monophosphoadenosine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02364","Name":"2-Amino-3-(Diethoxy-Phosphoryloxy)-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02365","Name":"1,10-Phenanthroline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.","DirectParent":"Phenanthrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Phenanthrolines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02366","Name":"CRA_10762","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02367","Name":"(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02368","Name":"N-Acetyl-L-Citrulline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02369","Name":"3-Aza-2,3-Dihydrogeranyl Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02370","Name":"Nz-(1-Carboxyethyl)-Lysine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02371","Name":"2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02372","Name":"2,5-Dimethylpyrimidin-4-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02373","Name":"Adenosine Monotungstate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02374","Name":"Xylose-Derived Imidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02375","Name":"Myricetin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavonols. These are compounds that has the 3-hydroxyflavone backbone.","DirectParent":"Flavonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02376","Name":"D-Gluconhydroximo-1,5-Lactam","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopiperidines.","DirectParent":"Aminopiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Aminopiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02377","Name":"Guanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB02378","Name":"MMI-175","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02379","Name":"Beta-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"A primary source of energy for living organisms. It is naturally occurring and is found in fruits and other parts of plants in its free state. It is used therapeutically in fluid and nutrient replacement. [PubChem]","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02380","Name":"2'-Deoxyinosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02381","Name":"Nor-N-Omega-Hydroxy-L-Arginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02382","Name":"Namn","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02383","Name":"Tolrestat","DrugType":"small molecule","HalfLife":"","Description":"Tolrestat (INN) (AY-27773) is an aldose reductase inhibitor which was approved for the control of certain diabetic complications. While it was approved for marketed in several countries, it failed a Phase III trial in the U.S. due to toxicity and never received FDA approval. It was discontinued by Wyeth in 1997 because of the risk of severe liver toxicity and death. It was sold under the tradename Alredase. [Wikipedia]","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For the pharmacological control of certain diabetic complications.","Toxicity":"Oral, mouse: LD50 = 300 mg/kg; Oral, rabbit: LD50 = 3200 mg/kg; Oral, rat: LD50 = 980 mg/kg.","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB02384","Name":"(E)-2-Fluoro-P-Hydroxycinnamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C4 carbon atom of the benzene ring.","DirectParent":"Coumaric Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Hydroxycinnamic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02385","Name":"Neopterin","DrugType":"small molecule","HalfLife":"","Description":"A pteridine derivative present in body fluids; elevated levels result from immune system activation, malignant disease, allograft rejection, and viral infections. (From Stedman, 26th ed) Neopterin also serves as a precursor in the biosynthesis of biopterin. [PubChem]","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00490","Drugs":["DB01593","DB02385"]},{"ID":"SMP00488","Drugs":["DB01593","DB02385"]},{"ID":"SMP00487","Drugs":["DB01593","DB02385"]},{"ID":"SMP00489","Drugs":["DB01593","DB02385"]},{"ID":"SMP00005","Drugs":["DB01593","DB02385"]},{"ID":"SMP00491","Drugs":["DB01593","DB02385"]},{"ID":"SMP00486","Drugs":["DB01593","DB02385"]}]},{"ID":"DB02386","Name":"Leucine Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02387","Name":"3-Hydroxyphenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02388","Name":"Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02390","Name":"5-Bromo-N[2-(Dimethylamino)Ethyl]-9-Aminoacridine-4-Carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02391","Name":"2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02393","Name":"D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02394","Name":"Oxiranpseudoglucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms.","DirectParent":"Cyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02395","Name":"3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles and derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02396","Name":"Methylethylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02397","Name":"O-(2-Acetamido-2-Deoxy-Alpha-D-Galactopyranosyl)-L-Serine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycoamino acids and derivatives. These are saccharides attached to a single amino acid by any kind of covalent bond. A glycosyl-amino-acid is a compound consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.","DirectParent":"Glycoamino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02398","Name":"6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02399","Name":"L-Rhamnitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02400","Name":"5-Methoxy-1,2-Dimethyl-3-(4-Nitrophenoxymethyl)Indole-4,7-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02401","Name":"4-Hydroxy-1,2,5-Oxadiazole-3-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furazans. These are compounds containing a furazan moiety, which consists of a five-member ring with 1 oxygen and 2 nitrogen atoms at positions 2, 1, and 5, respectively.","DirectParent":"Furazans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Oxadiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02402","Name":"5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02403","Name":"2-Fluoroaniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02404","Name":"1-Deoxy-1-Thio-Heptaethylene Glycol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02405","Name":"12-Bromododecanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02406","Name":"N-Valeric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02407","Name":"6-O-Cyclohexylmethyl Guanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02408","Name":"(3s)-3-Amino-1-(Cyclopropylamino)Heptane-2,2-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02409","Name":"(1r,4s)-2-Azabornane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02410","Name":"2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex-1-Yl)Thiazolium Inner Salt P,P'-Dioxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02411","Name":"2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.","DirectParent":"Macrolactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolactams","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02412","Name":"Tetrahydropyran","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02413","Name":"Hydroxyethylcysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02414","Name":"(3s,8ar)-3-(1h-Imidazol-5-Ylmethyl)Hexahydropyrrolo[1,2-a]Pyrazine-1,4-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02415","Name":"N-Octyl-2-Hydroxyethyl Sulfoxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).","DirectParent":"Sulfoxides","Kingdom":"Organic Compounds","SuperClass":"Organosulfur Compounds","Class":"Sulfoxides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02416","Name":"2-Ribofuranosyl-3-Iodo-2,3-Dihydro-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidine nucleosides and nucleotides. These are nucleoside or nucleotide analogues containing a pyrazolopyrimidine moiety is linked to a ribose (or ribose derivative).","DirectParent":"Pyrazolopyrimidine Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02417","Name":"2,4,6-Tribromophenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-bromophenols.","DirectParent":"p-Bromophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02418","Name":"(R,R)-2,3-Butanediol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02419","Name":"Ethyl Oxo(Piperidin-1-Yl)Acetate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02420","Name":"[[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid,","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02421","Name":"Uridine-5'-Diphosphate-Mannose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02422","Name":"Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02423","Name":"Thiopyrophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the non-metal phosphates. These are inorganic non-metallic compoundscontaining a phosphate as its largest oxoanion.","DirectParent":"Non-metal Phosphates","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Non-metal Oxoanionic Compounds","SubClass":"Non-metal Phosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02424","Name":"Geldanamycin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-quinones.","DirectParent":"p-Quinones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02425","Name":"Hexadecyl Octanoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty acid esters. These are carboxylic ester derivatives of a fatty acid.","DirectParent":"Fatty Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acid Esters","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02426","Name":"Carboxyatractyloside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diterpene glycosides. These are diterpenes in which an isoprene unit is glycosylated.","DirectParent":"Diterpene Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Terpene Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02427","Name":"2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02428","Name":"Quinaldic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02429","Name":"4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02430","Name":"Trehalose-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the disaccharide phosphates. These are disaccharides in which a carbohydrate moiety bears a phosphate group.","DirectParent":"Disaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02431","Name":"Cytidine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"Cytidine 5\u0026#39;-(tetrahydrogen triphosphate). A cytosine nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00027","Drugs":["DB00151","DB01373","DB02431","DB03247"]},{"ID":"SMP00240","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00045","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00534","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00216","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00217","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00390","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]},{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]},{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]},{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]},{"ID":"SMP00262","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00453","DB01972","DB02431","DB03685"]},{"ID":"SMP00248","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01211","DB01972","DB02431","DB03685"]},{"ID":"SMP00255","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01172","DB01972","DB02431","DB03685"]},{"ID":"SMP00290","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00618","DB01972","DB02431","DB03685"]},{"ID":"SMP00292","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01017","DB01972","DB02431","DB03685"]},{"ID":"SMP00730","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01361","DB01972","DB02431","DB03685"]},{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00251","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00778","DB01972","DB02431","DB03685"]},{"ID":"SMP00253","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00479","DB01972","DB02431","DB03685"]},{"ID":"SMP00258","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00919","DB01972","DB02431","DB03685"]},{"ID":"SMP00295","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00256","DB01972","DB02431","DB03685"]},{"ID":"SMP00728","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01627","DB01972","DB02431","DB03685"]},{"ID":"SMP00250","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00199","DB01972","DB02431","DB03685"]},{"ID":"SMP00252","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00976","DB01972","DB02431","DB03685"]},{"ID":"SMP00257","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00955","DB01972","DB02431","DB03685"]},{"ID":"SMP00294","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00759","DB01972","DB02431","DB03685"]},{"ID":"SMP00712","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00560","DB01972","DB02431","DB03685"]},{"ID":"SMP00714","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01421","DB01972","DB02431","DB03685"]},{"ID":"SMP00727","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00931","DB01972","DB02431","DB03685"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00249","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01190","DB01972","DB02431","DB03685"]},{"ID":"SMP00256","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00994","DB01972","DB02431","DB03685"]},{"ID":"SMP00291","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00254","DB01972","DB02431","DB03685"]},{"ID":"SMP00293","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00595","DB01972","DB02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molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02433","Name":"{[(2,2-Dihydroxy-Ethyl)-(2,3,4,5-Tetrahydroxy-6-Phosphonooxy-Hexyl)-Amino]-Methyl}-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02434","Name":"4-(2-Thienyl)Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophenes. These are compounds containing a five-member aromatic compound made up of one sulfur atom and four carbon atoms.","DirectParent":"Thiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02435","Name":"Aminomethylcyclohexane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02436","Name":"2-{4-[(2s)-2-[({[(1s)-1-Carboxy-2-Phenylethyl]Amino}Carbonyl)Amino]-3-Oxo-3-(Pentylamino)Propyl]Phenoxy}Malonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02437","Name":"(5r)-5-Amino-6-Hydroxyhexylcarbamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyols. These are organic compounds containing more than one hydroxyl groups.","DirectParent":"Polyols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Polyols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02438","Name":"3-O-Methylfructose in Linear Form","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02440","Name":"N-Octane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02441","Name":"2-Butyl-5,6-Dihydro-1h-Imidazo[4,5-D]Pyridazine-4,7-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.","DirectParent":"Pyridazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyridazines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02442","Name":"Dioxyselenocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02443","Name":"Methicillin Acyl-Serine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00563"},{"ID":"DB01017"},{"ID":"DB00759"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02445","Name":"2-Deoxy-2-Amino Glucitol-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02446","Name":"Glutamine Hydroxamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02447","Name":"3,8,9,10-Tetrahydroxy-7-Hydroxymethyl-6-Oxa-1,3-Diaza-Spiro[4.5]Decane-2,4-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02448","Name":"N-Tridecanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02449","Name":"3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02450","Name":"2-Benzo[1,3]Dioxol-5-Ylmethyl-3-Benzyl-Succinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.","DirectParent":"Dibenzylbutane Lignans","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"Dibenzylbutane Lignans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02452","Name":"Thymidine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02453","Name":"Trihydroxyantimonite(Iii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metalloid oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a metalloid.","DirectParent":"Metalloid Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Metalloid Organides","SubClass":"Metalloid Oxides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02454","Name":"5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxytetrahydrofuran-3-Yl Dihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.","DirectParent":"Pentoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02455","Name":"Fluoresceinylthioureido","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene ring joined to each other by a pyran ring.","DirectParent":"Xanthenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Dibenzopyrans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02456","Name":"Cytosine Arabinose-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02457","Name":"Undecyl-Phosphinic Acid Butyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02458","Name":"Glutathione S-(2,4 Dinitrobenzene)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02459","Name":"4-Guanidinobenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the guanidinobenzoic acid derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid.","DirectParent":"Guanidinobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02460","Name":"Hydrogenobyrinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the precorrins. These are intermediates formed by methylation at one or more of the four rings prior to the formation of the macrocyclic corrin ring.","DirectParent":"Precorrins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Corrinoids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02461","Name":"S-Methyl Phosphocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02462","Name":"Thiocoumarin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiochromenes.","DirectParent":"Thiochromenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiochromenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02463","Name":"2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02464","Name":"Benzylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02465","Name":"Methoxy arachidonyl fluorophosphonate","DrugType":"small molecule","HalfLife":"","Description":"Methoxy arachidonyl fluorophosphonate, commonly referred as MAFP, is an irreversible active site-directed enzyme inhibitor that inhibits nearly all serine hydrolases and serine proteases. It inhibits phospholipase A2 and fatty acid amide hydrolase with special potency, displaying IC50 values in the low-nanomolar range.","Classification":{"Description":"This compound belongs to the phosphonic acid esters. These are organic compounds containing phosphonic acid ester functional group.","DirectParent":"Phosphonic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Phosphonic Acid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02466","Name":"4-[3-Oxo-3-(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydro-Naphthalen-2-Yl)-Propenyl]-Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.","DirectParent":"Chalcones and Dihydrochalcones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Chalcones and Dihydrochalcones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02467","Name":"S-Oxymethionine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02468","Name":"12-Phenylheme","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02469","Name":"4,6-Dideoxy-4-Amino-Beta-D-Glucopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02470","Name":"D-Glycero-D-Mannopyranose-7-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02471","Name":"Nojirimycine Tetrazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetrazoles. These are organic compounds containing a tetrazole ring, which is a five-member aromatic heterocycle made up of four nitrogen atoms and a one carbon atom.","DirectParent":"Tetrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02472","Name":"6-Hydroxy-7,8-Dihydro Purine Nucleoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02473","Name":"6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02474","Name":"Bmsc-0013","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.","DirectParent":"Acylaminosugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02475","Name":"Deoxyguanidinoproclavaminic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.","DirectParent":"Monobactams","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02477","Name":"[Cyclohexylethyl]-[[[[4-[2-Methyl-1-Imidazolyl-Butyl]Phenyl]Acetyl]-Seryl]-Lysinyl]-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02479","Name":"(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02480","Name":"(S)-4-Bromo-3-Hydroxy-3-Methylbutyl Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02481","Name":"N-Benzylformamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02482","Name":"Phosphonothreonine","DrugType":"small molecule","HalfLife":"","Description":"The phosphoric acid ester of threonine. Used as an identifier in the analysis of peptides, proteins, and enzymes. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02483","Name":"Etheno-Nad","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02484","Name":"Cytidine 5'-Diphosphoglycerol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cdp-glycerols. These are glycerolipids with a cytidine diphosphate attached to the oxygen O1 or O2 of the glycerol part.","DirectParent":"CDP-Glycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"CDP-Glycerols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02485","Name":"Cytidine-5'-Monophosphate-5-N-Acetylneuraminic Acid","DrugType":"small molecule","HalfLife":"","Description":"A nucleoside monophosphate sugar which donates N-acetylneuraminic acid to the terminal sugar of a ganglioside or glycoprotein. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02486","Name":"2-Hydroxyethyl Disulfide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic disulfides.","DirectParent":"Organic Disulfides","Kingdom":"Organic Compounds","SuperClass":"Organosulfur Compounds","Class":"Organic Disulfides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02488","Name":"1-(2-Ethanone)-2-Hydroxy-2-(1-Amino-2-Methyl-2-Ethanol)-4-(2-Dimethyl)Ethane-Imidazoline-5-One;Chromophore (Thr-Leu-Gly)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ureides. These are compounds containing an ureide group with the general structure R1-CO-NH-CO-N(R)2R3, formally derived by the acylation of urea.","DirectParent":"Ureides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Carbonic Acids and Derivatives","SubClass":"Ureas"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02489","Name":"9-Methylguanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02490","Name":"(Diaminomethyl-Methyl-Amino)-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02491","Name":"4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02492","Name":"Ghavamiol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-member saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.","DirectParent":"Pyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02493","Name":"Hydantocidin-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02494","Name":"Alpha-Hydroxy-Beta-Phenyl-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.","DirectParent":"Phenylpyruvic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpyruvic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02495","Name":"9-(4-hydroxybutyl)-N2-phenylguanine","DrugType":"small molecule","HalfLife":"","Description":"9-(4-hydroxybutyl)-N2-phenylguanine is a solid. This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. 9-(4-hydroxybutyl)-n2-phenylguanine is known to target thymidine kinase.","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02496","Name":"1-Deoxy-D-xylulose 5-phosphate","DrugType":"small molecule","HalfLife":"","Description":"1-Deoxy-D-xylulose 5-phosphate is a solid. This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. The proteins that 1-Deoxy-D-xylulose 5-phosphate targets include 1-Deoxy-D-xylulose 5-phosphate reductoisomerase and pyridoxine 5'-phosphate synthase. 1-Deoxy-D-xylulose 5-phosphate is an intermediate in the non-mevalonate pathway.","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02497","Name":"L-Alpha-Glycerophosphorylserine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02498","Name":"Carba-Nicotinamide-Adenine-Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02499","Name":"Dinor-N(Omega)-Hydroxy-L-Arginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02500","Name":"6-(Dihydroxy-Isobutyl)-Thymine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02501","Name":"N~2~-Succinylarginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02502","Name":"8-Hydroxy-2'-Deoxyguanosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02503","Name":"4-(Carboxyvin-2-Yl)Phenylboronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02504","Name":"[3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-]-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02505","Name":"N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02506","Name":"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02507","Name":"4-Hydroxy-3-[(1s)-3-Oxo-1-Phenylbutyl]-2h-Chromen-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02508","Name":"Isopentyl Pyrophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02509","Name":"Farnesol","DrugType":"small molecule","HalfLife":"","Description":"A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02510","Name":"'5'-O-(N-(L-Prolyl)-Sulfamoyl)Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02511","Name":"2-Hydroxy-5-({1-[(2-Naphthyloxy)Methyl]-3-Oxoprop-1-Enyl}Amino)Tyrosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02512","Name":"1,6-Fructose Diphosphate (Linear Form)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02513","Name":"5-Methyl-2-(1-Methylethyl)Phenol","DrugType":"small molecule","HalfLife":"","Description":"A phenol obtained from thyme oil or other volatile oils. It is used as a stabilizer in pharmaceutic preparations. It has been used for its antiseptic, antibacterial, and antifungal actions, and was formerly used as a vermifuge. (Dorland, 28th ed)","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02514","Name":"(2z)-3-{[Oxido(Oxo)Phosphino]Oxy}-2-Phenylacrylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02515","Name":"3-Phosphoglycerol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02516","Name":"O5'-(4-(3-{2-[2-((R)-3-Hydroxy-4-(Trimethylammonio)-1-Oxo-Butyl)Sulfanyl-Ethylcarbamoyl]-Ethylcarbamoyl}-(R)-3-Hydroxy-2,2-Dimethyl-Propyl)-1-Hydroxy-3-Oxido-1,3-Dioxo-2,4-Dioxa-1,3-Diphosphabut-1-Yl) 3'-Phospho-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02517","Name":"D-Glutamic Acid","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the central nervous system. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02518","Name":"N-Acetylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02519","Name":"Indirubin-5-Sulphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02520","Name":"Diethylcarbamodithioic Acid","DrugType":"small molecule","HalfLife":"","Description":"A chelating agent that has been used to mobilize toxic metals from the tissues of man and experimental animals. It is the main metabolite of DISULFIRAM. [PubChem]","Classification":{"Description":"This compound belongs to the organic thiocarbonic acid derivatives. These are organic compounds containing the thiocarbonic acid structure or a derivative thereof.","DirectParent":"Organic Thiocarbonic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organosulfur Compounds","Class":"Thiocarbonyl Compounds","SubClass":"Organic Thiocarbonic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02521","Name":"2,5,7-Trihydroxynaphthoquinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring fused to a bezene-1,4-dione (quinone).","DirectParent":"Naphthoquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02522","Name":"Phosphonopyruvate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02523","Name":"5'-[[2-(Aminooxy)Ethyl]Methylsulfonio]-5'-Deoxy-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02524","Name":"Spiro(2,4,6-Trinitrobenzene[1,2a]-2o',3o'-Methylene-Adenine-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02525","Name":"D-Galactohydroximo-1,5-Lactam","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopiperidines.","DirectParent":"Aminopiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Aminopiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02526","Name":"CRA_10655","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02527","Name":"Cyclic Adenosine Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"Cyclic adenosine monophosphate (cAMP, cyclic AMP or 3'-5'-cyclic adenosine monophosphate) is a molecule that is important in many biological processes; it is derived from adenosine triphosphate (ATP).","Classification":{"Description":"This compound belongs to the 3',5'-cyclic purine nucleotides. These are purine nucleotides in which the oxygen atoms linked to the C3 and C5 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group.","DirectParent":"3',5'-cyclic Purine Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00310","Drugs":["DB02527"]},{"ID":"SMP00322","Drugs":["DB02527"]},{"ID":"SMP00312","Drugs":["DB02527"]},{"ID":"SMP00335","Drugs":["DB02527"]},{"ID":"SMP00343","Drugs":["DB02527"]},{"ID":"SMP00309","Drugs":["DB02527"]},{"ID":"SMP00311","Drugs":["DB02527"]},{"ID":"SMP00333","Drugs":["DB02527"]},{"ID":"SMP00338","Drugs":["DB02527"]},{"ID":"SMP00308","Drugs":["DB00988","DB02527"]},{"ID":"SMP00354","Drugs":["DB01373","DB02527"]},{"ID":"SMP00320","Drugs":["DB00640","DB01593","DB02527"]},{"ID":"SMP00321","Drugs":["DB00640","DB01593","DB02527"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB02528","Name":"Tetrazolyl Histidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02529","Name":"5-N-Acetyl-4-Amino-6-Diethylcarboxamide-4,5-Dihydro-2h-Pyran-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.","DirectParent":"Pyranoid Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02530","Name":"Gamma(Amino)-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"The most common inhibitory neurotransmitter in the central nervous system. [PubChem]","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00243","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00385","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00567","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00072","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00339","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00136","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]}]},{"ID":"DB02531","Name":"Isobutyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02532","Name":"2,4,6-Triaminoquinazoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02533","Name":"Aminoguanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02534","Name":"2-Allylphenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.","DirectParent":"Phenylpropenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02535","Name":"Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02536","Name":"(2r)-2,3-Dihydroxypropanal","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02537","Name":"2-Hydroxy-5-({1-[(4-Methylphenoxy)Methyl]-3-Oxoprop-1-Enyl}Amino)-L-Tyrosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02538","Name":"N-[4-(2-Methylimidazo[1,2-a]Pyridin-3-Yl)-2-Pyrimidinyl]Acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02539","Name":"S-Ethylisothiourea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02540","Name":"(10S)-10-Formyl-5,8,10-Trideazafolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02541","Name":"4-Hydroxybutan-1-Aminium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02542","Name":"(4s)-5-Fluoro-L-Leucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02543","Name":"Pyrrole-2-Carboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2.","DirectParent":"Pyrrole 2-Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Pyrrole Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02544","Name":"N-(6-{[3-(4-Bromophenyl)-1,2-Benzisothiazol-6-Yl]Oxy}Hexyl)-N-Methylprop-2-En-1-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylthiazoles. These are compounds containing a phenylthiazole moiety, which consists of an thiazole ring attacthed to a phenyl group.","DirectParent":"Phenylthiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02545","Name":"Fexaramine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02546","Name":"Vorinostat","DrugType":"small molecule","HalfLife":"2 hours","Description":"Vorinostat (rINN) or suberoylanilide hydroxamic acid (SAHA), is a drug currently under investigation for the treatment of cutaneous T cell lymphoma (CTCL), a type of skin cancer, to be used when the disease persists, gets worse, or comes back during or after treatment with other medicines. It is the first in a new class of agents known as histone deacetylase inhibitors. A recent study suggested that vorinostat also possesses some activity against recurrent glioblastoma multiforme, resulting in a median overall survival of 5.7 months (compared to 4 - 4.4 months in earlier studies). Further brain tumor trials are planned in which vorinostat will be combined with other drugs. [Wikipedia]","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"For the treatment of cutaneous manifestations in patients with cutaneous T-cell lymphoma who have progressive, persistent or recurrent disease on or following two systemic therapies.","Toxicity":"","MechanismOfAction":"Vorinostat inhibits the enzymatic activity of histone deacetylases HDAC1, HDAC2 and HDAC3 (Class I) and HDAC6 (Class II) at nanomolar concentrations (IC\u003csub\u003e50\u003c/sub\u003e\u0026lt; 86 nM). These enzymes catalyze the removal of acetyl groups from the lysine residues of histones proteins. In some cancer cells, there is an overexpression of HDACs, or an aberrant recruitment of HDACs to oncogenic transcription factors causing hypoacetylation of core nucleosomal histones. By inhibiting histone deacetylase, vorinostat causes the accumulation of acetylated histones and induces cell cycle arrest and/or apoptosis of some transformed cells. The mechanism of the antineoplastic effect of vorinostat has not been fully characterized.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00106"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00714"},{"ID":"DB01169"},{"ID":"DB06697"},{"ID":"DB06216"},{"ID":"DB00207"},{"ID":"DB00477"},{"ID":"DB00604"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB01254"},{"ID":"DB01151"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00757"},{"ID":"DB01184"},{"ID":"DB01142"},{"ID":"DB04855"},{"ID":"DB00450"},{"ID":"DB00199"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00529"},{"ID":"DB01044"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB00308"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00270"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB00408"},{"ID":"DB06708"},{"ID":"DB00934"},{"ID":"DB00358"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB01403"},{"ID":"DB00218"},{"ID":"DB04868"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00104"},{"ID":"DB00738"},{"ID":"DB00556"},{"ID":"DB01100"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB00734"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB02547","Name":"Guanosine-5'-Diphosphate-Rhamnose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Purine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02548","Name":"Sorbitol 6-phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02549","Name":"3'-O-Acetylthymidine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02550","Name":"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02551","Name":"6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02552","Name":"Geranyl Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene unit.","DirectParent":"Isoprenoid Phosphates","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Isoprenoid Phosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00387","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00131","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00386","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00508","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00119","Drugs":["DB00169","DB01095","DB01592","DB02552","DB04540"]},{"ID":"SMP00319","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00510","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00389","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00511","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00023","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00095","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00111","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00388","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00209","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00509","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00107","Drugs":["DB00169","DB00399","DB01592","DB02552","DB04540"]},{"ID":"SMP00079","Drugs":["DB00169","DB00710","DB01592","DB02552","DB04540"]},{"ID":"SMP00089","Drugs":["DB00169","DB00175","DB01592","DB02552","DB04540"]},{"ID":"SMP00112","Drugs":["DB00169","DB00884","DB01592","DB02552","DB04540"]},{"ID":"SMP00082","Drugs":["DB00169","DB00641","DB01592","DB02552","DB04540"]},{"ID":"SMP00092","Drugs":["DB00169","DB01098","DB01592","DB02552","DB04540"]},{"ID":"SMP00117","Drugs":["DB00169","DB00282","DB01592","DB02552","DB04540"]},{"ID":"SMP00099","Drugs":["DB00169","DB00227","DB01592","DB02552","DB04540"]}]},{"ID":"DB02553","Name":"Glutathionylspermidine Disulfide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02554","Name":"Sulfoquinovose-Uridine-C1,5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02555","Name":"SP4160","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02556","Name":"D-Phenylalanine","DrugType":"small molecule","HalfLife":"","Description":"An essential aromatic amino acid that is a precursor of melanin; dopamine; noradrenalin (norepinephrine), and thyroxine. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02557","Name":"Phosphoramidon","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02558","Name":"N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02559","Name":"6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02560","Name":"D-Para-Chlorophenyl-1-Acteamidoboronic Acid Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02561","Name":"Beta-D-Fructopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02562","Name":"Quinonoid 7,8-Tetrahydrobiopterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02563","Name":"Hexanoyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02565","Name":"4-Dimethylamino-N-(6-Hydroxycarbamoyethyl)Benzamide-N-Hydroxy-7-(4-Dimethyla Minobenzoyl)Aminoheptanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02566","Name":"8-Hydroxy-4-(1-Hydroxyethyl)Quinoline-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02567","Name":"PD173955","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02568","Name":"Peldesine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02569","Name":"2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02570","Name":"PD150606","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02571","Name":"2-Amino-6-Oxo-Hexanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02572","Name":"BV4","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02573","Name":"2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine 2'-deoxyribonucleoside monophosphates. These are purine nucleotides with monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Purine 2'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02574","Name":"BV2","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02576","Name":"F-Loop of Vitamin B12","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02577","Name":"Mesoheme","DrugType":"small molecule","HalfLife":"","Description":"The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins. [PubChem]","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02578","Name":"Glycyl-L-Alpha-Amino-Epsilon-Pimelyl-D-Alanyl-D-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02579","Name":"Acrylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.","DirectParent":"Enones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02580","Name":"1-(2-Methoxy-Ethoxy)-2-{2-[2-(2-Methoxy-Ethoxy]-Ethoxy}-Ethane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02581","Name":"5-[2,3-Dichloro-4-(5-{1-[2-(2-Guanidino-4-Methyl-Pentanoylamino)-Acetyl]-Piperidin-4-Yl}-1-Methyl-1h-Pyrazol-3-Yl)-Phenoxymethyl]-Furan-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02582","Name":"D-(L-a-Aminoadipoyl)-L-Cysteinyl-D-Isodehydrovaline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02583","Name":"N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02585","Name":"4-(Hydroxymethyl)Benzamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02586","Name":"4,7-Dimethyl-[1,10]Phenanthroline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.","DirectParent":"Phenanthrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Phenanthrolines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02587","Name":"Forskolin","DrugType":"small molecule","HalfLife":"","Description":"Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant Coleus forskohlii. Has antihypertensive, positive ionotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland. [PubChem]","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02588","Name":"Moxalactam Derivative","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01032"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02589","Name":"Se-Ethyl-Isoselenourea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02590","Name":"Abequose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02591","Name":"5,6-Dimethylbenzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02592","Name":"Carbaphosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), whis is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.","DirectParent":"Quinic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02593","Name":"7,8-Dihydroxy-1-Methoxy-3-Methyl-10-Oxo-4,10-Dihydro-1h,3h-Pyrano[4,3-B]Chromene-9-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chromones. These are compounds containing a benzopyran-4-one moiety.","DirectParent":"Chromones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Chromones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02594","Name":"2'-Deoxycytidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02595","Name":"Bulgecin A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycoamino acids and derivatives. These are saccharides attached to a single amino acid by any kind of covalent bond. A glycosyl-amino-acid is a compound consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.","DirectParent":"Glycoamino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02596","Name":"Alpha,Beta-Methyleneadenosine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02597","Name":"[2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02598","Name":"N-Alpha-Acetyl-3,5-Diiodotyrosylglycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02599","Name":"2,6-Diamino-8-Propylsulfanylmethyl-3h-Quinazoline-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02600","Name":"5-N-Acetyl-3-(1-Ethylpropyl)-1-Cyclohexene-1-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02601","Name":"4-Hydroxyphenylglycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02602","Name":"AL7182","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02603","Name":"1-Amino-6-Cyclohex-3-Enylmethyloxypurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02604","Name":"2-Deoxy-Glucose-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02606","Name":"2-Butanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02607","Name":"Adenosine Phosphonoacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02608","Name":"N-Acetyl-P-Nitrophenylserinol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02609","Name":"4-Hydroxy-L-Threonine-5-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02610","Name":"N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02611","Name":"Balanol Analog 1","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02613","Name":"Decylamine-N,N-Dimethyl-N-Oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02614","Name":"1(R)-1-Acetamido-2-(3-Carboxyphenyl)Ethyl Boronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02615","Name":"Compound 19","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02616","Name":"FR117016","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02617","Name":"1-(N-Imidazolyl)-2-Hydroxy-2-(2,3-Dichlorophenyl)Octane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02618","Name":"Ethyl Dimethyl Ammonio Propane Sulfonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl,aryl; X=any heteroatom).","DirectParent":"Sulfonic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02619","Name":"Bromo-Dodecanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02620","Name":"Sp7343-Sp7964","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazine carboxylic acids.","DirectParent":"Pyrazine Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02621","Name":"Latrunculin A","DrugType":"small molecule","HalfLife":"","Description":"Latrunculin A is an actin binding macrolide purified from the red sea sponge Latrunculia magnifica. It is under investigation for the treatment of cancer. It disrupts actin polymerization, prevents mitotic spindle formation and thus cell replication. ","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02622","Name":"2-(Oxalyl-Amino)-Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02623","Name":"Aminophosphonic Acid-Guanylate Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02624","Name":"Homoserine Lactone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02625","Name":"(2r)-2-{[Formyl(Hydroxy)Amino]Methyl}Hexanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino fatty acids. These are fatty acids contaning an amine group.","DirectParent":"Amino Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Amino Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02626","Name":"Phenylferricrocin-Iron","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02627","Name":"4,4'-Biphenyldiboronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02628","Name":"1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02629","Name":"Inhibitor Bea403","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02630","Name":"L-Xylitol 5-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02631","Name":"5-Chloro-6-[(2-Iminopyrrolidin-1-Yl)Methyl]Pyrimidine-2,4(1h,3h)-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the halopyrimidines. These are aromatic compounds containing an halogen atom linked to a pyrimidine ring.","DirectParent":"Halopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02632","Name":"1-O-[P-Nitrophenyl]-Beta-D-Galactopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02633","Name":"Cibacron Blue","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring.","DirectParent":"Anthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02635","Name":"N-[O-Phosphono-Pyridoxyl]-Isoleucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02636","Name":"9-Hydroxy-8-Methoxy-6-Nitro-Phenanthrol[3,4-D][1,3]Dioxole-5-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aristolochic acids and derivatives.","DirectParent":"Aristolochic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Phenanthrenes and Derivatives","SubClass":"Aristolochic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02637","Name":"Oxaloacetate Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02638","Name":"Terlipressin","DrugType":"small molecule","HalfLife":"","Description":"Terlipressin is an analogue of vasopressin used as a vasoactive drug in the management of hypotension. It has been found to be effective when norepinephrine does not help. [Wikipedia]","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Commonly used to stop bleeding of varices in the food pipe (oesophagus).","Toxicity":"","MechanismOfAction":"Terlipressin, an analogue of vasopressin, acts on three different receptors, vasopressin receptor V1a (which initiates vasoconstriction, liver gluconeogenesis, platelet aggregation and release of factor VIII), vasopressin receptor V1b (which mediates corticotrophin secretion from the pituitary) and vasopressin receptor V2 which controls free water reabsorption in the renal medullar. The binding of terlipressin to the V2 receptor activates adenylate cyclase which causes the release of aquaporin 2 channels into the cells lining the renal medullar duct. This allows water to be reabsorbed down an osmotic gradient so the urine is more concentrated.","Pharmacodynamics":"Terlipressin is a medicine similar to a naturally occurring hormone present in the body, known as antidiuretic hormone (ADH) or vasopressin. ADH has two main effects in the body. Firstly, it causes narrowing of blood vessels (vasoconstriction), thereby limiting blood flow to a particular area of the body. It also acts on receptors in the kidney to retain water in the body, which helps to prevent excessive loss of water in the urine. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB02639","Name":"4-Methylumbelliferyl-Alpha-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.","DirectParent":"Coumarin Glycosides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":"Coumarin Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02640","Name":"Fumagillin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monoterpenes. These are compounds contaning a chain of two isoprene units.","DirectParent":"Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02641","Name":"Heptanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02642","Name":"[[N-(Benzyloxycarbonyl)Amino]Methyl]Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.","DirectParent":"Benzyloxycarbonyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyloxycarbonyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02643","Name":"N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02644","Name":"N-Omega-Propyl-L-Arginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02645","Name":"3,4-Epoxybutyl-Alpha-D-Glucopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02646","Name":"Nitrosoethane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02647","Name":"N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02648","Name":"(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium","DrugType":"small molecule","HalfLife":"","Description":"Constituent of striated muscle and liver. It is used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias. [PubChem]","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02649","Name":"3-Amino-3-Oxopropanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.","DirectParent":"Primary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02650","Name":"Tri-Chloro-Acetaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02651","Name":"{[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02652","Name":"L-[(N-Hydroxyamino)Carbonyl]Phenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02653","Name":"Delta-Bis(2,2'-Bipyridine)-(5-Methyl-2-2'-Bipyridine)-C2-Adamantane Ruthenium (Ii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02654","Name":"6-Hydroxy-Flavin-Adenine Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavin nucleotides. These are nucleotides containing a flavin moiety.","DirectParent":"Flavin Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02655","Name":"D-Aspartic Acid","DrugType":"small molecule","HalfLife":"","Description":"The D-isomer of aspartic acid. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02656","Name":"2-(4-Morpholinyl)-8-Phenyl-4h-1-Benzopyran-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chromones. These are compounds containing a benzopyran-4-one moiety.","DirectParent":"Chromones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Chromones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02657","Name":"Glucosamine 6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02658","Name":"2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02659","Name":"Cholic Acid","DrugType":"small molecule","HalfLife":"","Description":"A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion. [PubChem]","Classification":{"Description":"This compound belongs to the trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.","DirectParent":"Trihydroxy Bile Acids, Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00317","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00315","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00318","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00035","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00316","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00314","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00720","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]}]},{"ID":"DB02660","Name":"Filaminast","DrugType":"small molecule","HalfLife":"","Description":"Filaminast is a phosphodiesterase 4 inhibitor (PDE4 inhibitor). As such, has potential in the treatment of asthma and chronic obstructive pulmonary disease (COPD).","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02661","Name":"Adenosine-5'-Diphosphate-2',3'-Vanadate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02662","Name":"Novo Nordisk a/S Compound","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02663","Name":"2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02664","Name":"1-Butane Boronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the boronic acids. These are compounds comprising the boronic acid functional group RB(O)O (R,R'=alkyl,aryl).","DirectParent":"Boronic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Boronic Acid Derivatives","SubClass":"Boronic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02665","Name":"Trans-2-Phenylcyclopropylamine","DrugType":"small molecule","HalfLife":"","Description":"A propylamine formed from the cyclization of the side chain of amphetamine. This monoamine oxidase inhibitor is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in panic and phobic disorders. (From AMA Drug Evaluations Annual, 1994, p311)","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02666","Name":"(C8-R)-Hydantocidin 5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02667","Name":"Factor IIIm","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cobalamin derivatives. These are organic compounds containing a corrin ring, a cobalt atom, an a nucleotide moiety. Cobalamin Derivatives are actually derived from vitamin B12.","DirectParent":"Cobalamin Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Corrinoids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02668","Name":"Je-2147, Ag1776, Kni-764","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02669","Name":"RB106","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02670","Name":"4-Deoxy-Alpha-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02671","Name":"1-Methylimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.","DirectParent":"N-substituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02673","Name":"(4ar,6s,8ar)-11-[8-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Octyl]-6-Hydroxy-3-Methoxy-5,6,9,10-Tetrahydro-4ah-[1]Benzofuro[3a,3,2-Ef][2]Benzazepin-11-Ium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02674","Name":"4-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Butyricacid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienoimidazolidines. These are heterocyclic compounds containing a thiophene ring fused to an imidazolidine ring.","DirectParent":"Thienoimidazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienoimidazolidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02675","Name":"(4-Hydroxymaltosephenyl)Glycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02676","Name":"2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyols. These are organic compounds containing more than one hydroxyl groups.","DirectParent":"Polyols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Polyols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02677","Name":"D-Naphthyl-1-Acetamido Boronic Acid Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02678","Name":"2-Deoxy-2-Aminogalactose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02679","Name":"Cyanamide","DrugType":"small molecule","HalfLife":"","Description":"A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02680","Name":"Dinitrophenylene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02681","Name":"Meta Vanadate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the miscellaneous vanadates. These are inorganic compounds in which the largest metallic oxoanion is vanadate, to which either no atom or a non metal atom is bonded.","DirectParent":"Miscellaneous Vanadates","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Miscellaneous Mixed Metal/Non-metals","SubClass":"Miscellaneous Metallic Oxoanionic Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02682","Name":"2-Deamino-6-Deoxy-6thiophosphite-5'-Phosphate Guanosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02683","Name":"Inhibitor Bea428","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02684","Name":"5'-O-(N-(L-Cysteinyl)-Sulfamoyl)Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02685","Name":"3-Methylphenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02686","Name":"Undecyl-Beta-D-Maltopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02688","Name":"2,3-Didehydroalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02689","Name":"S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02690","Name":"NU1025","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02691","Name":"N-Cholylglycine","DrugType":"small molecule","HalfLife":"","Description":"The glycine conjugate of cholic acid. It acts as a detergent to solubilize fats for absorption and is itself absorbed. [PubChem]","Classification":{"Description":"This compound belongs to the trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.","DirectParent":"Trihydroxy Bile Acids, Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02692","Name":"(6r,1'r,2's)-5,6,7,8 Tetrahydrobiopterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02693","Name":"(4s,5s)-1,2-Dithiane-4,5-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dithianes. These are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres.","DirectParent":"Dithianes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dithianes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02694","Name":"Pantoyl Adenylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02695","Name":"O1-Pentyl-Mannose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02696","Name":"6-Aminohexyl-Uridine-C1,5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02697","Name":"Hydroxyaminovaline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02698","Name":"N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-substituted phenoxazines. These are phenoxyazines where the nitrogen atom is linked to an atom other than the hydrogen atom.","DirectParent":"N-substituted Phenoxazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazines","SubClass":"Phenoxazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02699","Name":"4-Oxoretinol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02700","Name":"3-Deoxy-D-Glucosamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02701","Name":"Nicotinamide","DrugType":"small molecule","HalfLife":"","Description":"An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. [PubChem]","Classification":{"Description":"This compound belongs to the nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.","DirectParent":"Nicotinamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00048","Drugs":["DB00118","DB00130","DB00142","DB00627","DB02701"]}]},{"ID":"DB02702","Name":"XV638","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02703","Name":"Fusidic Acid","DrugType":"small molecule","HalfLife":"Approximately 5 to 6 hours in adults.","Description":"An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed) It acts by inhibiting translocation during protein synthesis.","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"For the treatment of bacterial infections.","Toxicity":"","MechanismOfAction":"Fusidic acid works by interfering with bacterial protein synthesis, specifically by preventing the translocation of the elongation factor G (EF-G) from the ribosome. It also can inhibit chloramphenicol acetyltransferase enzymes.","Pharmacodynamics":"Fusidic acid is a bacteriostatic antibiotic that is often used topically in creams and eyedrops, but may also be given systemically as tablets or injections.","Absorption":"Sodium fusidic acid tablets have a 91% oral bioavailability. Absorption of the film-coated tablets is complete when compared to a solution, however oral absorption is variable. Oral fusidic acid hemihydrate (suspension) achieved a 22.5% bioavailability in pediatric patients following a 20 milligram/kilogram dose.","Interactions":[{"ID":"DB00701"},{"ID":"DB01076"},{"ID":"DB01319"},{"ID":"DB00224"},{"ID":"DB00220"},{"ID":"DB00417"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00641"},{"ID":"DB01607"},{"ID":"DB00932"}],"Salts":[{"ID":"DBSALT000340","Name":"Fucidate Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB02704","Name":"(2r,3r,4r,5r)-3,4-Dihydroxy-N,N'-Bis[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-2,5-Bis(2-Phenylethyl)Hexanediamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02705","Name":"6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02706","Name":"Mercaptocarboxylate Inhibitor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02707","Name":"Pentyl Trihydrogen Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02709","Name":"Resveratrol","DrugType":"small molecule","HalfLife":"","Description":"Resveratrol (3,5,4'-trihydroxystilbene) is a polyphenolic phytoalexin. It is a stilbenoid, a derivate of stilbene, and is produced in plants with the help of the enzyme stilbene synthase. It exists as two structural isomers: cis-(Z) and trans-(E), with the trans-isomer shown in the top image. The trans- form can undergo isomerisation to the cis- form when heated or exposed to ultraviolet irradiation. In a 2004 issue of Science, Dr. Sinclair of Harvard University said resveratrol is not an easy molecule to protect from oxidation. It has been claimed that it is readily degraded by exposure to light, heat, and oxygen. However, studies find that Trans-resveratrol undergoes negligible oxidation in normal atmosphere at room temperature. [Wikipedia]","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Being investigated for the treatment of Herpes labialis infections (cold sores).","Toxicity":"","MechanismOfAction":"Resveratrol suppresses NF-kappaB (NF-kappaB) activation in HSV infected cells. Reports have indicated that HSV activates NF-kappaB during productive infection and this may be an essential aspect of its replication scheme [PMID: 9705914]. ","Pharmacodynamics":"Resveratrol, a phytoalexin, has been found to inhibit herpes simplex virus types 1 and 2 (HSV-1 and HSV-2) replication in a dose-dependent, reversible manner, although this is only one of its many pharmaceutical properties. In some countries where there is higher consumption of red wine, there appears to be a lower incidence of heart disease. Other benefits of resveratrol include its anti-inflammatory and antioxidant effects. In preclinical studies, Resveratrol has been found to have potential anticancer properties.","Absorption":"High absorption but very low bioavailability.","Interactions":null,"Salts":null,"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB02710","Name":"2,3,-Dihydroxybenzoylserine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02711","Name":"4-{2,6,8-Trioxo-9-[(2s,3r,4r)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Butyl Dihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02712","Name":"Sorbinil","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02713","Name":"Acetylamino-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02714","Name":"3'-Uridinemonophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02715","Name":"Compound 18","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02716","Name":"7-Methyl-Guanosine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02717","Name":"Cellotetraose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetrahexoses. These are tetrasaccharides containing four hexose carbohydrates.","DirectParent":"Tetrahexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Tetrasaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02718","Name":"5-Formyl-6-Hydrofolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02719","Name":"C-(1-Hydrogyl-Beta-D-Glucopyranosyl) Formamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.","DirectParent":"C-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02720","Name":"Alpha-D-Glucopyranosyl-2-Carboxylic Acid Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.","DirectParent":"C-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02721","Name":"4-Iodopyrazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02722","Name":"4-O-Methyl-Beta-D-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02723","Name":"4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02724","Name":"Delta-2-Albomycin A1","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02725","Name":"2-Amino-4-(4-Amino-Cyclohexa-2,5-Dienyl)-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02726","Name":"2-Phosphoglycolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02727","Name":"N-Butyl-N'-Hydroxyguanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02728","Name":"7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02729","Name":"SD146","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02730","Name":"4-Methylthio-Alpha-D-Mannose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02731","Name":"Thimerosal","DrugType":"small molecule","HalfLife":"","Description":"A topical antiseptic used on skin and mucous membranes. It is also used as a preservative in pharmaceuticals. [PubChem]","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02732","Name":"Nicotinamide Adenine Dinucleotide Acetone Adduct","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02733","Name":"Purvalanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02734","Name":"4-Deoxy-D-Mannuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyran carboxylic acids and derivatives. These are compounds containing a pyran ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Pyran Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyran Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02735","Name":"2-Amino-3-Oxo-4-Sulfo-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02736","Name":"Acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.","DirectParent":"Primary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02738","Name":"Adenosine-5'-Pentaphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02740","Name":"3-Indolebutyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02741","Name":"CD564","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02742","Name":"Kifunensine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02743","Name":"Beta-1,4-Galactobioside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02744","Name":"RPR131247","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.","DirectParent":"Thienopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02745","Name":"Uridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00219","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00202","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]}]},{"ID":"DB02746","Name":"Phthalic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 3.","DirectParent":"o-Phthalic Acid and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02747","Name":"N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl)Glycyl-L-Arginine-N-Phenylamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02749","Name":"Pyromellitic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.","DirectParent":"p-Phthalic Acid and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02750","Name":"S-(Methylmercury)-L-Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02751","Name":"N-[Amino(Imino)Methyl]Glycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02752","Name":"Tosyl-D-Proline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02753","Name":"Selenoinosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02754","Name":"9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02755","Name":"1-3 Sugar Ring of Pentamannosyl 6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trisaccharide phosphates. These are trisaccharides in which a carbohydrate moiety bears a phosphate group.","DirectParent":"Trisaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Trisaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02756","Name":"1,2,5,6-Tetrahydro-4h-Pyrrolo(3,2,1-Ij)Quinolin-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02757","Name":"Pyrazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.","DirectParent":"Pyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02758","Name":"Indolylpropionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02759","Name":"4-Methylumbelliferyl Chitobiose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.","DirectParent":"Coumarin Glycosides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":"Coumarin Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02760","Name":"1,6-Di-O-Phosphono-D-Allitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02761","Name":"S-Mercaptocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02762","Name":"RU79072","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group.","DirectParent":"Hydroxyquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroxyquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02763","Name":"5-Mercapto-2-Nitro-Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrobenzoic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02764","Name":"Hexane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02765","Name":"9-Hydroxypropyladenine, R-Isomer","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02766","Name":"(3r)-3-{[(Benzyloxy)Carbonyl]Amino}-2-Oxo-4-Phenylbutane-1-Diazonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02767","Name":"3-Hydroxy-Myristic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxy fatty acids. These are fatty acids in which the chain bears an hydroxyl group.","DirectParent":"Hydroxy Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Hydroxy Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02768","Name":"Tert-Butyloxycarbonyl Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carboxylic acid esters. These are carboxylic acid derivatives in which the carbo atom from the carbonyl group is atached to an alkyl or oaryl moiety through an oxygen atom (forming an ester group).","DirectParent":"Carboxylic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02770","Name":"7-Alpha-D-Ribofuranosyl-2-Aminopurine-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02771","Name":"Dodecane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02772","Name":"Sucrose","DrugType":"small molecule","HalfLife":"","Description":"A nonreducing disaccharide composed of glucose and fructose linked via their anomeric carbons. It is obtained commercially from sugarcane, sugar beet (beta vulgaris), and other plants and used extensively as a food and a sweetener. [PubChem]","Classification":{"Description":"This compound belongs to the mixed pentose/hexose disaccharides. These are disaccharides containing both an hexose and a pentose.","DirectParent":"Mixed Pentose/Hexose Disaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02773","Name":"(3-Chloro-4-Propoxy-Phenyl)-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02774","Name":"1,3-Propandiol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02776","Name":"1-Hexadecanosulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02777","Name":"Diundecyl Phosphatidyl Choline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.","DirectParent":"Phosphatidylcholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02778","Name":"2,5-Anhydroglucitol-1,6-Biphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02779","Name":"Dodecane-Trimethylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02780","Name":"Beta-3-Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02781","Name":"4-{(Z)-[2-[3-(Methylsulfanyl)Propanoyl]-5-Oxo-1-(2-Oxoethyl)-1,5-Dihydro-4h-Imidazol-4-Ylidene]Methyl}Benzenolate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02783","Name":"4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02784","Name":"N-[4-(2-{2-[3-(2-Bromo-Acetylamino)-Propionylamino]-3-Hydroxy-Propionylamino}-Ethyl)-Phenyl]-Oxalamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02785","Name":"N-[2(S)-Cyclopentyl-1(R)-Hydroxy-3(R)Methyl]-5-[(2(S)-Tertiary-Butylamino-Carbonyl)-4-(N1-(2)-(N-Methylpiperazinyl)-3-Chloro-Pyrazinyl-5-Carbonyl)-Piperazino]-4(S)-Hydroxy-2(R)-Phenylmethyl-Pentanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02786","Name":"2-Anhydro-3-Fluoro-Quinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), whis is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.","DirectParent":"Quinic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02787","Name":"N-Acetylmannosaminitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02788","Name":"S,3-Hydroxybutan-2-One","DrugType":"small molecule","HalfLife":"","Description":"A product of fermentation. It is a component of the butanediol cycle in microorganisms. In mammals it is oxidized to carbon dioxide. [PubChem]","Classification":{"Description":"This compound belongs to the acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups.","DirectParent":"Acyloins","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Acyloins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02789","Name":"Pregnenolone","DrugType":"small molecule","HalfLife":"","Description":"A 21-carbon steroid, derived from CHOLESTEROL and found in steroid hormone-producing tissues. Pregnenolone is the precursor to GONADAL STEROID HORMONES and the adrenal CORTICOSTEROIDS. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02790","Name":"Phenyl-Uridine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02791","Name":"Tetraphenylphosphonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02792","Name":"Deglucobalhimycin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic glycopeptides and derivatives. These are compounds containing a a carbohydrate covalently attached to a the backbone of a cyclic peptide.","DirectParent":"Cyclic Glycopeptides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02793","Name":"Isochorismic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02794","Name":"N-[5'-O-Phosphono-Ribofuranosyl]-2-[2-Hydroxy-2-[4-[Glutamic Acid]-N-Carbonylphenyl]-3-[2-Amino-4-Hydroxy-Quinazolin-6-Yl]-Propanylamino]-Acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbene glycosides. These are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.","DirectParent":"Stilbene Glycosides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":"Stilbene Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02795","Name":"P-Anisic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.","DirectParent":"P-methoxybenzoic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02796","Name":"9-Deazainosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.","DirectParent":"C-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02797","Name":"3-Nitrophenylboronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02798","Name":"Alpha-Methylene Adenosine Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02799","Name":"N-[2-(1-Maleimidyl)Ethyl]-7-Diethylaminocoumarin-3-Carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02800","Name":"5-Hydroxymethylene-6-Hydrofolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02801","Name":"2,3 -Anhydro-Quinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms.","DirectParent":"Cyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02802","Name":"5-Aminocarbonyl-3-Nitrophenyl-Alpha-D-Galactopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02803","Name":"3-Phenyl-1,2-Propandiol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02804","Name":"A-98881","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxyphenols and derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.","DirectParent":"Methoxyphenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02805","Name":"1-(3-O-Phosphono-Beta-L-Arabinofuranosyl)Pyrimidine-2,4(1h,3h)-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02806","Name":"2-Methoxyethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02807","Name":"D-2-Keto-3-Deoxygalactonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02808","Name":"Trifluorofurnesyl Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02809","Name":"Brodimoprim-4,6-Dicarboxylate","DrugType":"small molecule","HalfLife":"","Description":"Brodimoprim-4,6-dicarboxylate is a solid. This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof. This medication is known to target the protein dihydrofolate reductase.","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02810","Name":"N-(2-Acetamido)Iminodiacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02811","Name":"Diethylphosphono Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02812","Name":"(2s,4r)-1-Acetyl-N-[(1s)-4-[(Aminoiminomethyl)Amino]-1-(2-Benzothiazolylcarbonyl)Butyl]-4-Hydroxy-2-Pyrrolidinecarboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02813","Name":"2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02814","Name":"3'-Deazo-Thiamin Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02815","Name":"Indene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indenes and isoindenes. These are compounds conaining an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohezadiene ring).","DirectParent":"Indenes and Isoindenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indenes and Isoindenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02816","Name":"7-(1-Methyl-1,2,3-Triazol-4-Yl)-6-Formyl-2,7-Dihydro-[1,4]Thiazepine-3-Carboxylic Acid, Brl42715, C6-(N1-Methyl-1,2,3-Triazolylmethylene)Penem","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the para thiazepines. These are compounds containing a para thiazepine moiety, which consists of an unsaturated seven-member ring with one nitrogen atom and one sulfur at positions 1 and 4, respectively, as well as two CC double bonds.","DirectParent":"Para Thiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiazepines","SubClass":"Para Thiazepines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02817","Name":"5-Exo-Hydroxycamphor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bicyclic monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.","DirectParent":"Bicyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02818","Name":"Iodo-Willardiine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02819","Name":"Mono-[3,4-Dihydroxy-5-(5-Methyl-Benzoimidazol-1-Yl)-Tetrahydor-Furan-2-Ylmethyl] Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazole nucleosides and nucleotides. These are nucleoside or nucleotide analogues in which the imidazole moiety of benzimidazole is linked to a ribose (or ribose derivative).","DirectParent":"Benzimidazole Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02820","Name":"1-Azepan-1-Yl-2-Phenyl-2-(4-Thioxo-1,4-Dihydro-Pyrazolo[3,4-D]Pyrimidin-5-Yl)Ethanone Adduct","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02821","Name":"Canaline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02822","Name":"Para-Bromobenzyl Alcohol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bromobenzenes. These are organic compounds containing a chlorine atom attached to a benzene ring.","DirectParent":"Bromobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02823","Name":"Phosphonoacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent. [PubChem]","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02824","Name":"N-Pyridoxyl-Glycine-5-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02825","Name":"Methylphosphonic Acid Ester Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02826","Name":"Decane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02827","Name":"7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02828","Name":"5-Fluorolevulinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.","DirectParent":"Gamma Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Gamma Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02829","Name":"4-(Acetylamino)-3-[(Aminoacetyl)Amino]Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02830","Name":"FR236913","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02831","Name":"Dihydrogenphosphate Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the non-metal phosphates. These are inorganic non-metallic compoundscontaining a phosphate as its largest oxoanion.","DirectParent":"Non-metal Phosphates","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Non-metal Oxoanionic Compounds","SubClass":"Non-metal Phosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02832","Name":"Siroheme","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02833","Name":"[4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02834","Name":"IDD552","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02835","Name":"Alpha-D-Glucose 1,6-Bisphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02836","Name":"Guanosine 5'-Diphosphate 2':3'-Cyclic Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02837","Name":"O4-Sulfonylgalactose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02838","Name":"3,4-Dihydro-2h-Pyrrolium-5-Carboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02839","Name":"2,4-Dihydroxybenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02840","Name":"4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02841","Name":"[(2-Ethoxy-1-Naphthoyl)Amino]Methylboronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02842","Name":"Aminacrine","DrugType":"small molecule","HalfLife":"","Description":"A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator. [PubChem]","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02843","Name":"Alpha-D-Glucose-1-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02844","Name":"S-Adenosyl-1,8-Diamino-3-Thiooctane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02845","Name":"Methylphosphinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02846","Name":"Thioproline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02847","Name":"(2s,3r)-1-Amino-2-Methylbutane-2,3-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).","DirectParent":"Tertiary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Tertiary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02848","Name":"{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylthiazoles. These are compounds containing a phenylthiazole moiety, which consists of an thiazole ring attacthed to a phenyl group.","DirectParent":"Phenylthiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02849","Name":"N-Pyridoxyl-1-Amino-Cyclopropanecarboxylic Acid-5-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02850","Name":"(1-Tert-Butyl-5-Hydroxy-1h-Pyrazol-4-Yl)-(6-Methanesulfonyl-4'-Methoxy-2-Methyl-Biphenyl-3-Yl)-Methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02851","Name":"Thiocamphor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bicyclic monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.","DirectParent":"Bicyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02852","Name":"Domoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the kainoids. These are non-proteigenous amino acids whose structure is characterized by the presence of a pyrrolidine ring bearing two dicarboxylic acid groups.","DirectParent":"Kainoids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02853","Name":"D-Proline","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid that is synthesized from glutamic acid. It is an essential component of collagen and is important for proper functioning of joints and tendons. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02854","Name":"Aetiocholanolone","DrugType":"small molecule","HalfLife":"","Description":"The 5-beta-reduced isomer of androsterone. Etiocholanolone is a major metabolite of testosterone and androstenedione in many mammalian species including humans. It is excreted in the urine. [PubChem]","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02855","Name":"N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02856","Name":"Methyl-Carbamic Acid Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbamic acids and derivatives. These are compounds comprising the carbamic acid functional group or a derivative thereof.","DirectParent":"Carbamic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02857","Name":"Guanosine","DrugType":"small molecule","HalfLife":"","Description":"Guanosine is a nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine can be phosphorylated to become GMP (guanosine monophosphate), cGMP (cyclic guanosine monophosphate), GDP (guanosine diphosphate) and GTP (guanosine triphosphate). [Wikipedia]","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB02858","Name":"3-(4-Benzenesulfonyl-Thiophene-2-Sulfonylamino)-Phenylboronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02859","Name":"Soraphen A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02860","Name":"Calyculin A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02861","Name":"4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02862","Name":"Gluco-Phenylimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02863","Name":"Alpha Chlorophyll A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02864","Name":"Biliverdin Ix Gamma Chromophore","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02865","Name":"Glucosamine 4-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02866","Name":"Dansylamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02867","Name":"D-Mannose 1-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02868","Name":"3''-(Beta-Chloroethyl)-2'',4''-Dioxo-3, 5''-Spiro-Oxazolidino-4-Deacetoxy-Vinblastine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02869","Name":"3-amino-5-phenylpentane","DrugType":"small molecule","HalfLife":"","Description":"3-amino-5-phenylpentane is a solid. This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by a propan-1-amine. 3-amino-5-phenylpentane targets the proteins cathepsin K and cathepsin L2.","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02870","Name":"N-Allyl-Aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02871","Name":"3-Butylthiolane 1-Oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).","DirectParent":"Sulfoxides","Kingdom":"Organic Compounds","SuperClass":"Organosulfur Compounds","Class":"Sulfoxides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02872","Name":"Cis-[4,5-Bis-(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydroimidazol-1-Yl]-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02873","Name":"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02875","Name":"CRA_1802","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02876","Name":"3-(4-Carbamoyl-1-Carboxy-2-Methylsulfonyl-Buta-1,3-Dienylamino)-Indolizine-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02877","Name":"TTNPB","DrugType":"small molecule","HalfLife":"","Description":"TTNPB is a retinoic acid analog which acts as a selective RAR agonist.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02878","Name":"3-(2-Aminoethyl)-4-(Aminomethyl)Heptanedioic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.","DirectParent":"Delta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02879","Name":"2,3-Di-O-Sulfo-Alpha-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02880","Name":"N-[1-(4-Bromophenyl)Ethyl]-5-Fluoro Salicylamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02881","Name":"4-(4-Hydroxy-3-Isopropylphenylthio)-2-Isopropylphenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02882","Name":"Cyanocinnoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02883","Name":"2',3'-Dideoxycytidine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.","DirectParent":"Pyrimidine Deoxyribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02884","Name":"Beta-Cyclohexyl-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02885","Name":"4-Imino-5-Methidyl-2-Trifluoromethylpyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydropyrimidines. These are compounds containing an hydrogenated pyrimidine ring (i.e containing less than the maximum bumber of double bonds.).","DirectParent":"Hydropyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02887","Name":"2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02888","Name":"FKB-001","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02889","Name":"4-O-(4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Beta-D-Lyxo-Hexopyranosyl)-Alpha-D-Erythro-Hexopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trihexoses. These are trisaccharides containing three hexose carbohydrates.","DirectParent":"Trihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Trisaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02890","Name":"6-Hydroxyuridine-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02891","Name":"Tricyclazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02892","Name":"L-2-Amino-6-Methylene-Pimelic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02893","Name":"D-Methionine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02894","Name":"Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dioxolopyrans. These are compounds containing a dioxolopyran moiety, which consistts of a dioxole ring fused to a pyran ring.","DirectParent":"Dioxolopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dioxolopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02895","Name":"3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfoxides. These are compounds containing a sulfoxide functional group, with the structure RS(=O)R' (R,R' not H).","DirectParent":"Sulfoxides","Kingdom":"Organic Compounds","SuperClass":"Organosulfur Compounds","Class":"Sulfoxides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02896","Name":"Methylthioinosine","DrugType":"small molecule","HalfLife":"","Description":"An analog of inosine with a methylthio group replacing the hydroxyl group in the 6-position. [PubChem]","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"IPR-RAT LD\u003csub\u003e50\u003c/sub\u003e: 65 mg/kg","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02897","Name":"Acetylphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl phosphates. These are organic compounds containing the functional group -CO-P(O)(O)OH.","DirectParent":"Acyl Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02898","Name":"5-{[(2-Amino-9h-Purin-6-Yl)Oxy]Methyl}-2-Pyrrolidinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02899","Name":"N-Carboxymethionine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02900","Name":"Alpha-D-Mannose-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02901","Name":"Dihydrotestosterone","DrugType":"small molecule","HalfLife":"","Description":"A potent androgenic metabolite of testosterone. Dihydrotestosterone (DHT) is generated by a 5-alpha reduction of testosterone. Unlike testosterone, DHT cannot be aromatized to estradiol therefore DHT is considered a pure androgenic steroid. [PubChem]","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"Oral LD\u003csub\u003e50\u003c/sub\u003e in rat is 7060 mg/kg. Oral LD\u003csub\u003e50\u003c/sub\u003e in mouse is 3450 mg/kg.","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"Bioavailability is very low (0-2%) following oral administration.","Interactions":null,"Salts":null,"Groups":{"experimental":true,"illicit":true},"Pathways":null},{"ID":"DB02902","Name":"3'-Phosphate-Adenosine-5'-Phosphate Sulfate","DrugType":"small molecule","HalfLife":"","Description":"3\u0026#39;-Phosphoadenosine-5\u0026#39;-phosphosulfate. Key intermediate in the formation by living cells of sulfate esters of phenols, alcohols, steroids, sulfated polysaccharides, and simple esters, such as choline sulfate. It is formed from sulfate ion and ATP in a two-step process. This compound also is an important step in the process of sulfur fixation in plants and microorganisms. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside 3',5'-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose moiety.","DirectParent":"Purine Ribonucleoside 3',5'-Bisphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02903","Name":"BV3","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02904","Name":"Beta-3-Serine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02905","Name":"Phosphoric Acid Mono-[3,4-Dihydroxy-5-(5-Hydroxy-Benzoimidazol-1-Yl)Tetrahydro-Furan-2-Ylmethyl] Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02906","Name":"(2s,4s)-Alpha-Campholinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.","DirectParent":"Iridoids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02907","Name":"2-Amino-Vinyl-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02908","Name":"RU78783","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02909","Name":"5-(2-Chlorophenyl)Furan-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furoic acid derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.","DirectParent":"Furoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Furoic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02910","Name":"Octanoyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02911","Name":"2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.","DirectParent":"Pteridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02912","Name":"Propionyl Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02914","Name":"(6e)-6-[(2e,4e,6e)-3,7-Dimethylnona-2,4,6,8-Tetraenylidene]-1,5,5-Trimethylcyclohexene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02915","Name":"4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(4-Trifluoromethyl-Phenyl)-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.","DirectParent":"2,4,5-trisubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02916","Name":"[(2r,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Sulfamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02917","Name":"N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02918","Name":"6-(4-Difluoromethoxy-3-Methoxy-Phenyl)-2h-Pyridazin-3-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02919","Name":"2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02920","Name":"Zn(Ii)-(20-Oxo-Protoporphyrin Ix)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02921","Name":"(South)-Methanocarba-Thymidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02922","Name":"Hexafluoroacetone Hydrate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.","DirectParent":"Fluorohydrins","Kingdom":"Organic Compounds","SuperClass":"Organic Halides","Class":"Halohydrins","SubClass":"Fluorohydrins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02923","Name":"Biphenyl-2,3-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02924","Name":"D-Limonene 1,2-Epoxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxepanes. These are compounds containing an oxepane ring, which is a a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.","DirectParent":"Oxepanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxepanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02925","Name":"Piretanide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02927","Name":"Mixed Carbamic Phosphoric Acid Anhydride of 7,8-Diaminononanic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02928","Name":"3-Amino-6-Hydroxy-Tyrosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02929","Name":"K201","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-member ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).","DirectParent":"Benzothiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02930","Name":"Phosphothiophosphoric Acid-Adenylate Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02931","Name":"Coa-S-Acetyl Tryptamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02932","Name":"(2r)-N-[4-Cyano-3-(Trifluoromethyl)Phenyl]-3-[(4-Fluorophenyl)Sulfonyl]-2-Hydroxy-2-Methylpropanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02933","Name":"5'-Deoxy-5'-(Methylthio)-Tubercidin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02934","Name":"9-(6-Deoxy-Alpha-L-Talofuranosyl)-6-Methylpurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02935","Name":"1-Methoxy-2-(2-Methoxyethoxy)Ethane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02936","Name":"4-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02937","Name":"Gamma-Arsono-Beta, Gamma-Methyleneadenosine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"Adenylic acid. Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2\u0026#39;-, 3\u0026#39;-, or 5\u0026#39;-position. [PubChem]","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02938","Name":"Heptanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02939","Name":"[(1e)-4-Phenylbut-1-Enyl]Benzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.","DirectParent":"Phenylpropenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02940","Name":"(4s)-2-[(1e)-1-Aminoprop-1-Enyl]-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms.","DirectParent":"Thiazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolines","SubClass":"Thiazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02941","Name":"3-(1-Aminoethyl)Nonanedioic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02942","Name":"Inositol 1,3-Bisphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02943","Name":"N-(4-Aminobutanoyl)-S-(4-Methoxybenzyl)-L-Cysteinylglycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02945","Name":"L-Iduronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02946","Name":"Carpropamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02947","Name":"2-Fluoro-2'-Deoxyadenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a purine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Purine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02948","Name":"Fosmidomycin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02949","Name":"2-Acetyl-Protoporphyrin Ix","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02950","Name":"Hymenialdisine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrroloazepines. These are compounds containing a pyrroloazepine moiety, which is a bicyclic heterocycle which consists of a pyrrole ring fused to an azepine.","DirectParent":"Pyrroloazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroloazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02951","Name":"3-Hydroxypyruvic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00242","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00484","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00721","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]}]},{"ID":"DB02952","Name":"Alpha-Aminoisobutyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02953","Name":"2-Thiomethyl-3-Phenylpropanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02954","Name":"(Carboxyhydroxyamino)Ethanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02955","Name":"Ricinoleic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxy fatty acids. These are fatty acids in which the chain bears an hydroxyl group.","DirectParent":"Hydroxy Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Hydroxy Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02956","Name":"Pentasulfide-Sulfur","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals.","DirectParent":"Other Non-metal Sulfides","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Other Non-metal Organides","SubClass":"Other Non-metal Sulfides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02957","Name":"Orotidine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00242","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00219","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00202","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00484","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00721","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]}]},{"ID":"DB02958","Name":"Selenomethionine Selenoxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02959","Name":"Oxitriptan","DrugType":"small molecule","HalfLife":"","Description":"5-Hydroxytryptophan (5-HTP), also known as oxitriptan (INN), is a naturally occurring amino acid and chemical precursor as well as a metabolic intermediate in the biosynthesis of the neurotransmitters serotonin and melatonin from tryptophan. 5-HTP is sold over-the-counter in the United Kingdom, United States and Canada as a dietary supplement for use as an antidepressant, appetite suppressant, and sleep aid, and is also marketed in many European countries for the indication of major depression under trade names like Cincofarm, Levothym, Levotonine, Oxyfan, Telesol, Tript-OH, and Triptum. Several double-blind placebo-controlled clinical trials have demonstrated the effectiveness of 5-HTP in the treatment of depression, though a lack of high quality studies has been noted. More and larger studies are needed to determine if 5-HTP is truly effective in treating depression.","Classification":{"Description":"This compound belongs to the serotonins. These are compounds containing a serotonin moiety, which conists of an indole that bears an aminoethyl a position 2 and an hydroxyl group at position 5.","DirectParent":"Serotonins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"For use as an antidepressant, appetite suppressant, and sleep aid.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"The psychoactive action of 5-HTP is derived from its effect on the production of serotonin in central nervous system tissue. More specifically, 5-HTP increases the production of serotonin.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":[{"ID":"SMP00063","Drugs":["DB00118","DB00142","DB00150","DB00160","DB01065","DB01592","DB02959","DB03644"]}]},{"ID":"DB02960","Name":"1-Carboxyethylaminomethyl-4-Aminomethylbenzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02961","Name":"L-Rhamnose","DrugType":"small molecule","HalfLife":"","Description":"A methylpentose whose L- isomer is found naturally in many plant glycosides and some gram-negative bacterial lipopolysaccharides. [PubChem]","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02962","Name":"Benzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02963","Name":"(5-Chloropyrazolo[1,5-a]Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02964","Name":"8,9,10-Trihydroxy-7-Hydroxymethyl-2-Thioxo-6-Oxa-1,3-Diaza-Spiro[4.5]Decan-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02965","Name":"Ndelta-(N'-Sulphodiaminophosphinyl)-L-Ornithine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02966","Name":"Fluoro-Willardiine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02967","Name":"N-Ethylmaleimide","DrugType":"small molecule","HalfLife":"","Description":"A sulfhydryl reagent that is widely used in experimental biochemical studies. [PubChem]","Classification":{"Description":"This compound belongs to the n-substituted carboxylic acid imides. These are compounds comprising an N-substituted carboxylic acid imide group, with the general structure R1N(C(R2)=O)C(R3)=O (R2,R3=H, alkyl, aryl; R1=Anything but H).","DirectParent":"N-substituted Carboxylic Acid Imides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02968","Name":"Penicillin G Acyl-Serine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02969","Name":"4-Methyl-5-Hydroxyethylthiazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 4,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 4 and 5 only.","DirectParent":"4,5-disubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02970","Name":"2-Propyl-Aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.","DirectParent":"Anilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02971","Name":"2-Amino-4-(2-Amino-Ethoxy)-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02972","Name":"1-Benzyl-(R)-Propylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02973","Name":"4-(5-Bromo-2-Oxo-2h-Indol-3-Ylazo)-Benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02974","Name":"4-(4-Chlorophenyl)Imidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02975","Name":"Ge2270a","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02976","Name":"Uridine-5'-Monophosphate 2-Deoxy-2-Fluoro-Galactopyranosyl-Monophosphate Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02977","Name":"PNU177836","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02978","Name":"Beta-Hydroxyleucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02979","Name":"N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02980","Name":"Thymidine-5'-(Dithio)Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02981","Name":"Vitamin B6 Complexed with 2-Amino-Hexanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02982","Name":"Bombykol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","DirectParent":"Fatty Alcohols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Alcohols","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02983","Name":"Para-Mercury-Benzenesulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02984","Name":"4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02985","Name":"8-Iodo-Guanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02986","Name":"N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophenes. These are compounds containing a five-member aromatic compound made up of one sulfur atom and four carbon atoms.","DirectParent":"Thiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02987","Name":"Cysteine-S-Acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02988","Name":"Imino-Tryptophan","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02989","Name":"CRA_10972","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02990","Name":"C16-Fatty-Acyl-Substrate-Mimic","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thioesters. These are compounds containing the ester derivative of thiocarboxylic acid,with the general structure R-S-CO-R' (R,R'=alkyl,aryl).","DirectParent":"Thioesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02991","Name":"S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02992","Name":"1-Deoxy-6-O-Phosphono-1-[(Phosphonomethyl)Amino]-L-Threo-Hexitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02993","Name":"8-Methyl-9-Oxoguanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02994","Name":"Hydroxydimethylarsine Oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02995","Name":"Cyclohexylammonium Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02996","Name":"2-(Thiomethylene)-4-Methylpentanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02998","Name":"Methyltrienolone","DrugType":"small molecule","HalfLife":"","Description":"A synthetic non-aromatizable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors.","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB02999","Name":"Quisqualate","DrugType":"small molecule","HalfLife":"","Description":"An agonist at two subsets of excitatory amino acid receptors, ionotropic receptors that directly control membrane channels and metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores. The compound is obtained from the seeds and fruit of Quisqualis chinensis. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03000","Name":"9-Hydroxypropyladenine, S-Isomer","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03001","Name":"Peridinin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03002","Name":"4-Iodophenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the halophenols. These are aromatic compound containing benzene substituted by an hydroxyl group and an halogen atom.","DirectParent":"Halophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03003","Name":"Glutathione Sulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03004","Name":"1-[(1s)-Carboxy-2-(Methylsulfinyl)Ethyl]-(3r)-[(5s)-5-Amino-5-Carboxypentanamido]-(4r)-Sulfanylazetidin-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.","DirectParent":"Monobactams","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03005","Name":"3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03006","Name":"4-Aminophenylarsonic Acid","DrugType":"small molecule","HalfLife":"","Description":"An arsenical which has been used as a feed additive for enteric conditions in pigs and poultry. It causes blindness and is ototoxic and nephrotoxic in animals. [PubChem]","Classification":{"Description":"This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.","DirectParent":"Anilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03007","Name":"9r,13r-Opda","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03008","Name":"5-Fluoro-Beta-L-Gulosyl Fluoride","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03009","Name":"2-[(2-Oxo-2-Piperidin-1-Ylethyl)Thio]-6-(Trifluoromethyl)Pyrimidin-4(1h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acylpiperidines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine.","DirectParent":"N-Acylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03010","Name":"Epothilone B","DrugType":"small molecule","HalfLife":"","Description":"Epothilone B is a 16-membered macrolide that mimics the biological effects of taxol.","Classification":{"Description":"This compound belongs to the epothilones and analogues. These are macrolides consisting of a 16-member lactone ring conjugated at the carbon 16 with a 1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group. Some epothilone analogues containing a lactam ring instead of the lactone ring.","DirectParent":"Epothilones and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":"Epothilones and Analogues"},"Indication":"Investigated for use/treatment in ovarian cancer, lung cancer, brain cancer, breast cancer, and gastric cancer.","Toxicity":"","MechanismOfAction":"The principal mechanism of the epothilone class is inhibition of microtubule function. Microtubules are essential to cell division, and epothilones therefore stop cells from properly dividing. Epothilone B possess the same biological effects as taxol both in vitro and in cultured cells. This is because they share the same binding site, as well as binding affinity to the microtubule. Like taxol, epothilone B binds to the αβ-tubulin heterodimer subunit. Once bound, the rate of αβ-tubulin dissociation decreases, thus stabilizing the microtubules. Furthermore, epothilone B has also been shown to induce tubulin polymerization into microtubules without the presence of GTP. This is caused by formation of microtubule bundles throughout the cytoplasm. Finally, epothilone B also causes cell cycle arrest at the G2-M transition phase, thus leading to cytotoxicity and eventually cell apoptosis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB03011","Name":"Adenosine-5'-(Dithio)Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03012","Name":"Phenylalanine-N-Sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03013","Name":"Di(N-Acetyl-D-Glucosamine)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03015","Name":"6-Hydroxy-1,6-Dihydro Purine Nucleoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03016","Name":"CRA_1801","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03018","Name":"3,4-Dimethylaniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.","DirectParent":"Anilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03019","Name":"4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.","DirectParent":"Pyrimidines and Pyrimidine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03020","Name":"5-Beta-D-Ribofuranosylnicotinamide Adenine Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03021","Name":"Ulapualide A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03022","Name":"3-{2,6,8-Trioxo-9-[(2r,3s,4r)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Propyl Dihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03023","Name":"1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03024","Name":"2-Methyl-3-(2-Aminothiazolo)Propanal","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 4 only.","DirectParent":"2,4-disubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03025","Name":"1-Octen-3-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","DirectParent":"Fatty Alcohols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Alcohols","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03026","Name":"Phosphoglycolohydroxamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.","DirectParent":"Phosphoethanolamines","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03028","Name":"1h-Benoximidazole-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03029","Name":"Ortho-Xylene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.","DirectParent":"Toluenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Toluenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03030","Name":"4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.","DirectParent":"Toluenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Toluenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03031","Name":"Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Octyl-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03032","Name":"S-Octylglutathione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03033","Name":"1-Methyloxy-4-Sulfone-Benzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03034","Name":"Dextrofloxacine","DrugType":"small molecule","HalfLife":"","Description":"A synthetic fluoroquinolone (FLUOROQUINOLONES) antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION. [PubChem]","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03035","Name":"1,8-Di-Hydroxy-4-Nitro-Anthraquinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring.","DirectParent":"Anthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03037","Name":"Oxidized Acetyl Dithranol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring.","DirectParent":"Anthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03038","Name":"LY341770","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03039","Name":"4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03040","Name":"Nitrilotriacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall\u0026#39;s Dictionary of Chemistry, 5th ed.)","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03041","Name":"Udp-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"A nucleoside diphosphate sugar which serves as a source of glucuronic acid for polysaccharide biosynthesis. It may also be epimerized to UDP iduronic acid, which donates iduronic acid to polysaccharides. In animals, UDP glucuronic acid is used for formation of many glucosiduronides with various aglycones. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03042","Name":"5-Phosphoarabinonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03043","Name":"(S)-2-Amino-3-(6h-Selenolo[2,3-B]-Pyrrol-4-Yl)-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03044","Name":"1-(5-Tert-Butyl-2-P-Tolyl-2h-Pyrazol-3-Yl)-3-[4-(2-Morpholin-4-Yl-Ethoxy)-Naphthalen-1-Yl]-Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03045","Name":"Pantothenyl-Aminoethanol-Acetate Pivalic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03046","Name":"7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03047","Name":"L-Alpha-Phosphatidyl-Beta-Oleoyl-Gamma-Palmitoyl-Phosphatidylethanolamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages.","DirectParent":"Phosphatidylethanolamines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoethanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03048","Name":"6-Carboxymethyluracil","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03049","Name":"S-Selanyl Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03050","Name":"Geran-8-Yl Geran","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle.","DirectParent":"Acyclic Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03051","Name":"Tetrahydrofuran-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.","DirectParent":"Oxolanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxolanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03052","Name":"Dazoxiben","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03053","Name":"1-Aminocyclopropylphosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03054","Name":"Tribromomethane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03056","Name":"4-Piperidino-Piperidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopiperidines.","DirectParent":"Aminopiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Aminopiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03057","Name":"Malonaldehyde","DrugType":"small molecule","HalfLife":"","Description":"The dialdehyde of malonic acid. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03058","Name":"Isatoic Anhydride","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.","DirectParent":"Anilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03059","Name":"Acetoacetyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03060","Name":"Sri-9662","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03061","Name":"(R)-N-(1-Methyl-Hexyl)-Formamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).","DirectParent":"Secondary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03062","Name":"(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03063","Name":"N-(1-Benzyl-3-{[3-(1,3-Dioxo-1,3-Dihydro-Isoindol-2-Yl)-Propionyl]-[2-(Hexahydro-Benzo[1,3]Dioxol-5-Yl)-Ethyl]-Amino}-2-Hydroxy-Propyl)-4-Benzyloxy-3,5-Dimethoxy-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03064","Name":"3-Decyl-2,5-Dioxo-4-Hydroxy-3-Pyrroline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.","DirectParent":"Pyrrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03065","Name":"7-Nitroindazole-2-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.","DirectParent":"Indazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrazoles","SubClass":"Indazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03066","Name":"D-Lactic Acid","DrugType":"small molecule","HalfLife":"","Description":"A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed)","Classification":{"Description":"This compound belongs to the alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.","DirectParent":"Alpha Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Alpha Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00459","Drugs":["DB00119","DB00143","DB01593","DB03066"]},{"ID":"SMP00196","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00060","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00212","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00559","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00334","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00558","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]}]},{"ID":"DB03067","Name":"4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03068","Name":"Zebularine","DrugType":"small molecule","HalfLife":"","Description":"A chemically stable, cytidine analog that displays anti-tumor properties. Acts as a transition state analog inhibitor of cytidine deaminase by binding to the active size as covalent hydrates. Also shown to inhibit DNA methylation and tumor growth both in vitro and in vivo.","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03069","Name":"Cytidine-5'-Diphospho-Beta-D-Xylose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03070","Name":"Selenazole-4-Carboxyamide-Adenine Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03071","Name":"4-Methylidene-5-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1,2,4,5-tetrasubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at for positions 1,2,4, and 5.","DirectParent":"1,2,4,5-tetrasubstituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03072","Name":"2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03073","Name":"3-Methoxybenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03074","Name":"7-Deaza-7-Cyano-Guanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03075","Name":"(Diphosphono)Aminophosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the non-metal phosphates. These are inorganic non-metallic compoundscontaining a phosphate as its largest oxoanion.","DirectParent":"Non-metal Phosphates","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Non-metal Oxoanionic Compounds","SubClass":"Non-metal Phosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03076","Name":"AHA047","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03077","Name":"3-Amino-4-{3-[2-(2-Propoxy-Ethoxy)-Ethoxy]-Propylamino}-Cyclobut-3-Ene-1,2-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the primary aromatic amines.","DirectParent":"Primary Aromatic Amines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Primary Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03078","Name":"PASBN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoyl derivatives. These are organic compounds containing an acyl moeity of benzoic acid with the formula (C6H5CO-).","DirectParent":"Benzoyl Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoyl Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03079","Name":"Alpha-Ribazole-5'-Phosphate Derivative","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazole nucleosides and nucleotides. These are nucleoside or nucleotide analogues in which the imidazole moiety of benzimidazole is linked to a ribose (or ribose derivative).","DirectParent":"Benzimidazole Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03080","Name":"17-Dmag","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-quinones.","DirectParent":"p-Quinones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03081","Name":"Crc200 (Chiron-Behring)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03082","Name":"6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03083","Name":"IC261","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03084","Name":"Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03085","Name":"Hydroxyacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.","DirectParent":"Alpha Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Alpha Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03086","Name":"N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03087","Name":"2-(Sec-Butyl)Thiazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.","DirectParent":"Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03088","Name":"Pyroglutamic Acid","DrugType":"small molecule","HalfLife":"","Description":"A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00143","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00500","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00183","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00015","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00337","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00501","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]}]},{"ID":"DB03089","Name":"L-Iso-Aspartate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03090","Name":"Ethylaminobenzylmethylcarbonyl Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03091","Name":"4-Amido-4-Carbamoyl-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03092","Name":"5-Hydroxymethyl-Chonduritol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms.","DirectParent":"Cyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03093","Name":"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03094","Name":"3,5-Dihydro-5-Methylidene-4h-Imidazol-4-On","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03095","Name":"Tetramethylammonium Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03096","Name":"N-Aminoethylmorpholine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.","DirectParent":"Morpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03097","Name":"Pmp-Hydroxyisoxazole, Pyridoxamine-5-Phosphate-Hydroxyisoxazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03098","Name":"[Methylseleno]Acetate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03099","Name":"5-Amino 6-Nitro Uracil","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitropyrimidines. These are compounds containing a pyrimidine ring which bears a nitro group.","DirectParent":"Nitropyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03100","Name":"6-Nitroindazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03101","Name":"Ribose-1-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03102","Name":"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03103","Name":"Thymidine-5'- Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03104","Name":"RU82129","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03105","Name":"5-Hydroxy Norvaline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03106","Name":"Myo-Inositol","DrugType":"small molecule","HalfLife":"","Description":"An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction. [PubChem]","Classification":{"Description":"This compound belongs to the cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms.","DirectParent":"Cyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03107","Name":"Beta-Alanine","DrugType":"small molecule","HalfLife":"","Description":"An amino acid formed in vivo by the degradation of dihydrouracil and carnosine. Since neuronal uptake and neuronal receptor sensitivity to beta-alanine have been demonstrated, the compound may be a false transmitter replacing GAMMA-AMINOBUTYRIC ACID. A rare genetic disorder, hyper-beta-alaninemia, has been reported. [PubChem]","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00201","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00007","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00351","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00493","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00016","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00198","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00502","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00192","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00067","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00492","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00044","Drugs":["DB00116","DB00117","DB00118","DB00142","DB01373","DB01593","DB01971","DB03107"]},{"ID":"SMP00191","Drugs":["DB00116","DB00117","DB00118","DB00142","DB01373","DB01593","DB01971","DB03107"]},{"ID":"SMP00175","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00219","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00202","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]}]},{"ID":"DB03108","Name":"4-Phospho-D-Erythronate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03109","Name":"N-Acetyl-D-Allosamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03110","Name":"2-Chlorophenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-chlorophenols.","DirectParent":"o-Chlorophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03111","Name":"Glucosamine 1-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03112","Name":"6-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Hexanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienoimidazolidines. These are heterocyclic compounds containing a thiophene ring fused to an imidazolidine ring.","DirectParent":"Thienoimidazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienoimidazolidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03113","Name":"3-Fluoro-2-(Phosphonooxy)Propanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03114","Name":"PAS219","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoyl derivatives. These are organic compounds containing an acyl moeity of benzoic acid with the formula (C6H5CO-).","DirectParent":"Benzoyl Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoyl Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03115","Name":"5-Bromo-N-(2,3-Dihydroxypropoxy)-3,4-Difluoro-2-[(2-Fluoro-4-Iodophenyl)Amino]Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03116","Name":"5-(1-Carboxy-1-Phosphonooxy-Ethoxyl)-Shikimate-3-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03117","Name":"2-Carboxypropyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.","DirectParent":"Coenzyme A and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03118","Name":"1-(5-Chloroindol-3-Yl)-3-Hydroxy-3-(2h-Tetrazol-5-Yl)-Propenone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03119","Name":"Pentane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03120","Name":"Para-Toluene Sulfonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.","DirectParent":"Toluenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Toluenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03121","Name":"1-Benzyl-5-Methoxy-2-Methyl-1h-Indol-3-Yl)-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.","DirectParent":"Indole-3-acetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03124","Name":"5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03125","Name":"2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03126","Name":"Mant-Adp","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine 2'-deoxyribonucleoside diphosphates. These are purine nucleotides with diphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Purine 2'-deoxyribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03127","Name":"Benzamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03128","Name":"Acetylcholine","DrugType":"small molecule","HalfLife":"","Description":"A neurotransmitter. Acetylcholine in vertebrates is the major transmitter at neuromuscular junctions, autonomic ganglia, parasympathetic effector junctions, a subset of sympathetic effector junctions, and at many sites in the central nervous system. It is generally not used as an administered drug because it is broken down very rapidly by cholinesterases, but it is useful in some ophthalmological applications. [PubChem]","Classification":{"Description":"This compound belongs to the cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.","DirectParent":"Cholines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Cholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00382"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03129","Name":"[3-(1,3,2-Dioxaborolan-2-Yloxy)Propyl]Guanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dioxaborolanes. These are compounds containing a five-member saturated aliphatic heterocycle made up of two oxygen atoms, a boron atom, and three carbon atoms.","DirectParent":"Dioxaborolanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dioxaborolanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03130","Name":"S-P-Nitrobenzyloxycarbonylglutathione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03132","Name":"3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03133","Name":"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,2,3-Benzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03134","Name":"2-Aminopimelic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03135","Name":"[2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03136","Name":"4-Iodobenzo[B]Thiophene-2-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03137","Name":"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03138","Name":"Perchlorate Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the non-metal perchlorates. These are inorganic non-metallic compoundscontaining a perchlorate as its largest oxoanion.","DirectParent":"Non-metal Perchlorates","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Non-metal Oxoanionic Compounds","SubClass":"Non-metal Perchlorates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03139","Name":"6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienoimidazolidines. These are heterocyclic compounds containing a thiophene ring fused to an imidazolidine ring.","DirectParent":"Thienoimidazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienoimidazolidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03140","Name":"4-Carboxyphenylboronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03141","Name":"3-({5-Benzyl-6-Hydroxy-2,4-Bis-(4-Hydroxy-Benzyl)-3-Oxo-[1,2,4]-Triazepane-1-Sulfonyl)-Benzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03142","Name":"Alpha-L-Arabinose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.","DirectParent":"Pentoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03143","Name":"Nonan-1-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","DirectParent":"Fatty Alcohols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Alcohols","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03144","Name":"N-Omega-Hydroxy-L-Arginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03145","Name":"4-Methyl-5-Hydroxyethylthiazole Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 4,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 4 and 5 only.","DirectParent":"4,5-disubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03146","Name":"2-Deazo-6-Thiophosphate Guanosine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03147","Name":"Flavin adenine dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972)\r\nFlavin adenine dinucleotide is approved for use in Japan under the trade name Adeflavin as an ophthalmic treatment for vitamin B2 deficiency.","Classification":{"Description":"This compound belongs to the flavin nucleotides. These are nucleotides containing a flavin moiety.","DirectParent":"Flavin Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Used to treat eye diseases caused by vitamin B2 deficiency, such as keratitis and blepharitis.","Toxicity":"Oral mouse LD50 \u003e 7000 mg/kg.\r\nIntravenous mouse LD50 589 mg/kg.","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000903","Name":"Flavin adenine dinucleotide sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB03148","Name":"Phosphomethylphosphonic Acid Adenosyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03149","Name":"Phenylalanylmethane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03150","Name":"2',3'-Dideoxythymidine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.","DirectParent":"Pyrimidine Deoxyribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03151","Name":"(Mu-4-Sulfido)-Tetra-Nuclear Copper Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the transition metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.","DirectParent":"Transition Metal Sulfides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Organides","SubClass":"Transition Metal Sulfides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03152","Name":"B-2-Octylglucoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03153","Name":"3h-Pyrazolo[4,3-D]Pyrimidin-7-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03154","Name":"{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03155","Name":"1-(2-Deoxy-2-Fluoro-3-O-Phosphono-Beta-L-Ribofuranosyl)Pyrimidine-2,4(1h,3h)-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03156","Name":"D-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03157","Name":"N,O-Didansyl-L-Tyrosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03158","Name":"D-Myo-Inositol-1,4-Bisphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03159","Name":"CRA_8696","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03160","Name":"N-Pyridoxyl-7-Keto-8-Aminopelargonic Acid-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03161","Name":"Thymidine-5'-Diphospho-Beta-D-Xylose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03162","Name":"4-Hydroxy-1,2,5-Thiadiazole-3-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiadiazoles. These are cyclic organic compounds containing a thiadiazole ring, which is a five-member aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.","DirectParent":"Thiadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiadiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03163","Name":"(2-[2-Ketopropylthio]Ethanesulfonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03164","Name":"6-Amino-1-Methylpurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03165","Name":"2-Dimethylamino-Ethyl-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03166","Name":"Acetic acid","DrugType":"small molecule","HalfLife":"","Description":"Acetic acid is a product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed) Acetic acid otic (for the ear) is an antibiotic that treats infections caused by bacteria or fungus.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Used to treat infections in the ear canal.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00449","Drugs":["DB00898","DB01593","DB03166"]},{"ID":"SMP00623","Drugs":["DB00295","DB01452","DB03166"]},{"ID":"SMP00407","Drugs":["DB00295","DB00368","DB00988","DB01345","DB01373","DB01452","DB03166"]},{"ID":"SMP00175","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00067","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00196","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00217","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00192","Drugs":["DB00128","DB00130","DB00142","DB00155","DB01593","DB01677","DB03107","DB03166"]},{"ID":"SMP00390","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00060","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00456","Drugs":["DB00121","DB02175","DB03166","DB03568","DB03600","DB04519","DB04524"]},{"ID":"SMP00240","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00212","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00559","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00045","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00334","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00534","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00216","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00558","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB03167","Name":"Pentabromophenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-bromophenols.","DirectParent":"p-Bromophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03168","Name":"Nicotinamide Adenine Dinucleotide Cyclohexanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03169","Name":"(S)-Hmg-Coa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03170","Name":"Dephospho Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03171","Name":"Indole-3-Propanol Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03172","Name":"Tubercidin","DrugType":"small molecule","HalfLife":"","Description":"An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids. [PubChem]","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03173","Name":"CRA_10433","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03174","Name":"Phosphonoacetaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03175","Name":"1-Proponol","DrugType":"small molecule","HalfLife":"","Description":"A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00532","Drugs":["DB03175"]},{"ID":"SMP00041","Drugs":["DB03175"]}]},{"ID":"DB03176","Name":"3,5-Dichloro-4-[(4-Hydroxy-3-Isopropylphenoxy)Phenylacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03177","Name":"5-methylbenzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03178","Name":"Guanosine-2',3'-Cyclophosphorothioate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03179","Name":"Sinapoyl Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.","DirectParent":"Coenzyme A and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03180","Name":"4,5-Dimethyl-1,2-Phenylenediamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.","DirectParent":"Anilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03181","Name":"2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03182","Name":"Alpha-Fluoro-Carboxymethyldethia Coenzyme a Complex","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid glycopeptides. These are compounds containing a carbohydrate component linked linked to an hybrid peptide component.","DirectParent":"Hybrid Glycopeptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03183","Name":"1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03184","Name":"5-Amino-3-Methyl-Pyrrolidine-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03185","Name":"1-Beta-Ribofuranosyl-1,3-Diazepinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03186","Name":"U-Pi-a-Pi","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03187","Name":"6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.","DirectParent":"Thia Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Thia Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03188","Name":"4-Thio-Beta-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03189","Name":"Cu-Cyclam","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03190","Name":"N-Octanoyl-B-D-Fructofuranosyl-a-D-Glucopyranoside,Sucrose Monocaproylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty acyl glycosides. These are compounds containing fatty acid chain linked to a carbohydrate moiety through an ester bond.","DirectParent":"Fatty Acyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03191","Name":"3-Oxiran-2ylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03192","Name":"3r-Hydroxydecanoyl-Coa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03193","Name":"Stearic acid","DrugType":"small molecule","HalfLife":"","Description":"Stearic acid (IUPAC systematic name: octadecanoic acid) is one of the useful types of saturated fatty acids that comes from many animal and vegetable fats and oils. It is a waxy solid. [Wikipedia]","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"Acute oral toxicity (LD50): 4640 mg/kg [Rat]. Acute dermal toxicity (LD50): \u003e5000 mg/kg [Rabbit].\r\n\r\n","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00479","Drugs":["DB03193","DB04326"]},{"ID":"SMP00482","Drugs":["DB00583","DB03193"]}]},{"ID":"DB03194","Name":"Beta-L-Methyl-Fucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03195","Name":"Phosphoric Acid Mono-[3-Fluoro-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-2h-Pyrimidin-1-Yl)-Tetrahyro-Furan-2-Ylmethyl] Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.","DirectParent":"Pyrimidine Deoxyribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03196","Name":"4-Nitrophenyl-Ara","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03197","Name":"6-Hydroxymethylpterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03198","Name":"Thio-Maltohexaose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03199","Name":"4-Methoxy-E-Rhodomycin T","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.","DirectParent":"Anthracyclines","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Anthracyclines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03200","Name":"7-Alpha-D-Ribofuranosyl-Purine-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03201","Name":"D-Cysteine","DrugType":"small molecule","HalfLife":"","Description":"A thiol-containing non-essential amino acid that is oxidized to form CYSTINE. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03202","Name":"2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)Acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03203","Name":"Sphingosine","DrugType":"small molecule","HalfLife":"","Description":"An amino alcohol with a long unsaturated hydrocarbon chain. Sphingosine and its derivative sphinganine are the major bases of the sphingolipids in mammals. (Dorland, 28th ed)","Classification":{"Description":"This compound belongs to the 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.","DirectParent":"1,2-Aminoalcohols","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Alkanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03204","Name":"5-(Aminomethyl)-2-Methylpyrimidin-4-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03205","Name":"Pyrroloquinoline Quinone","DrugType":"small molecule","HalfLife":"","Description":"A pyrrolo-quinoline having two adjacent keto-groups at the 4 and 5 positions and three acidic carboxyl groups. It is a coenzyme of some DEHYDROGENASES. [PubChem]","Classification":{"Description":"This compound belongs to the pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.","DirectParent":"Pyrroloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Pyrroloquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00170","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00012","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00497","Drugs":["DB00118","DB00126","DB00135","DB00368","DB00988","DB01235","DB01592","DB03205"]},{"ID":"SMP00498","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00006","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00169","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00494","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00190","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00533","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00218","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03205"]},{"ID":"SMP00429","Drugs":["DB00118","DB00126","DB00128","DB00135","DB00142","DB00368","DB00822","DB00898","DB00988","DB01235","DB01373","DB01592","DB01593","DB01677","DB01702","DB02232","DB03166","DB03205"]}]},{"ID":"DB03206","Name":"1-Deoxynojirimycin","DrugType":"small molecule","HalfLife":"","Description":"An alpha-glucosidase inhibitor with antiviral action. Derivatives of deoxynojirimycin may have anti-HIV activity. [PubChem]","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"ORL-RAT LD\u003csub\u003e50\u003c/sub\u003e: \u0026gt; 5g/kg.\r\n","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03207","Name":"2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03208","Name":"Beta-1,2,3,4,6-Penta-O-Galloyl-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydrolyzable tannins. These are tannins whose structure is characterized by either ofthe following models","DirectParent":"Hydrolyzable Tannins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tannins","SubClass":"Hydrolyzable Tannins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03209","Name":"Oxonic Acid","DrugType":"small molecule","HalfLife":"","Description":"Oxonic Acid is an antagonist of urate oxidase. [PubChem]","Classification":{"Description":"This compound belongs to the triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.","DirectParent":"Triazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazines","SubClass":"Triazinones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03210","Name":"4-Aminohydrocinnamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03211","Name":"(3-Formyl-but-3-Enyl)-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03212","Name":"4-Deoxyglucarate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03213","Name":"Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03214","Name":"Vinylglycine","DrugType":"small molecule","HalfLife":"","Description":"Vinylglycine is an irreversible inhibitor of aspartate aminotransferase.","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03215","Name":"(2s,5s)-5-Carboxymethylproline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03216","Name":"(1'r,2's)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-Yl)Adenine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03217","Name":"DPI59","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03218","Name":"N-Acetyl-N'-Beta-D-Glucopyranosyl Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03219","Name":"11-Deoxy-Beta-Rhodomycin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.","DirectParent":"Anthracyclines","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Anthracyclines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03220","Name":"FR233623","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03221","Name":"AL7099A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03222","Name":"2'-Deoxyadenosine 5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine 2'-deoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Purine 2'-deoxyribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03223","Name":"Diphthamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03224","Name":"2-Formyl-Protoporphryn Ix","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03225","Name":"D-Tryptophan","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00315"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03226","Name":"Trifluoroethanol","DrugType":"small molecule","HalfLife":"","Description":"A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications. [PubChem]","Classification":{"Description":"This compound belongs to the fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.","DirectParent":"Fluorohydrins","Kingdom":"Organic Compounds","SuperClass":"Organic Halides","Class":"Halohydrins","SubClass":"Fluorohydrins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03227","Name":"Nicotinamide Mononucleotide","DrugType":"small molecule","HalfLife":"","Description":"3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5\u0026#39;phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN. [PubChem]","Classification":{"Description":"This compound belongs to the nicotinamide nucleotides. These are pyridine nucleotides, in which the pyridine base is nicotinamide or a derivative thereof.","DirectParent":"Nicotinamide Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03228","Name":"5-[Bis-2(Chloro-Ethyl)-Amino]-2,4-Dintro-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03229","Name":"2-Oxo-4-Methylpentanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00137","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00139","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00173","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00237","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00238","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00199","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00200","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00523","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00032","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00384","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00138","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00522","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00140","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00141","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00236","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00521","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00524","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]}]},{"ID":"DB03230","Name":"Adenosine-5'-Propylphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03231","Name":"3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-[2-(2-(Hydroxymethyl-Phenylsulfanyl)-Benzyl]-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03232","Name":"2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaenyl]Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquaterpenes. These are terpenes with at least 7 consecutive isoprene units.","DirectParent":"Sesquaterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquaterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03233","Name":"Phosphoric Acid Mono-[3-Amino-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-2h-Pyrimidin-1-Yl)-Tetrahydro-Furan-2-Ylmethyl] Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.","DirectParent":"Pyrimidine Deoxyribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03234","Name":"(4'-{[Allyl(Methyl)Amino]Methyl}-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03235","Name":"N-{3-[4-(3-Amino-Propyl)-Piperazin-1-Yl]-Propyl}-3-Nitro-5-(Galactopyranosyl)-Alpha-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03236","Name":"(2s)-4-(Beta-Alanylamino)-2-Aminobutanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03237","Name":"2,3-Dihydroxy-5-Oxo-Hexanedioate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03238","Name":"3,5-Difluoroaniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03239","Name":"3',5'-Dinitro-N-Acetyl-L-Thyronine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03240","Name":"(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03241","Name":"1-Amino-1-Carbonyl Pentane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03242","Name":"P-Aminophenyl-Alpha-D-Galactopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03243","Name":"4-Fluorobenzylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03244","Name":"(S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.","DirectParent":"Triazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03245","Name":"S-4-Nitrobutyryl-Coa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03246","Name":"Beta-L-Arabinose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.","DirectParent":"Pentoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03247","Name":"Riboflavin Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues. [PubChem]","Classification":{"Description":"This compound belongs to the flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, whose structure is characterized by an isoalloaxzine tricyclic ring.","DirectParent":"Flavins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Alloxazines and Isoalloxazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00650","Drugs":["DB00997","DB03247"]},{"ID":"SMP00070","Drugs":["DB00140","DB01373","DB01593","DB03247"]},{"ID":"SMP00027","Drugs":["DB00151","DB01373","DB02431","DB03247"]},{"ID":"SMP00503","Drugs":["DB00147","DB01593","DB03247"]},{"ID":"SMP00017","Drugs":["DB00147","DB01593","DB03247"]},{"ID":"SMP00007","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00492","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00351","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00493","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00360","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00219","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00202","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00020","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00362","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00507","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00363","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]}]},{"ID":"DB03248","Name":"2-(Phosphonooxy)Butanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03249","Name":"2'-O-Methyl-3'-Methyl-3'-Deoxy-Arabinofuranosyl-Thymine-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 3'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 3.","DirectParent":"Pyrimidine 3'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03250","Name":"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Benzothiazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.","DirectParent":"C-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03251","Name":"RWJ-51084","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03252","Name":"D-Lysine","DrugType":"small molecule","HalfLife":"","Description":"An essential amino acid. It is often added to animal feed. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03253","Name":"(2s)-Pyrrolidin-2-Ylmethylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-member saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.","DirectParent":"Pyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03254","Name":"4-Phenyl-1h-Imidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03255","Name":"Phenol","DrugType":"small molecule","HalfLife":"","Description":"Phenol is an antiseptic and disinfectant. It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. Phenol has been used to disinfect skin and to relieve itching. Phenol is also used as an oral analgesic or anesthetic in products such as Chloraseptic to treat pharyngitis. Additionally, phenol and its related compounds are used in surgical ingrown toenail treatment, a process termed phenolization. Research indicates that parental exposure to phenol and its related compounds are positively associated with spontaneous abortion. During the second world war, phenol injections were used as a means of execution by the Nazis. Phenol is a toxic compound whose vapours are corrosive to the skin, eyes, and respiratory tract. ","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"Phenol is primarily indicated for minor sore throat pain, sore mouth, minor mouth irritation, and pain associated with canker sores. Additionally, phenol is indicated in the treatment of focal spasticity. ","Toxicity":"Mouse, Subcutaneous, LD50: 0.3-0.35 g/kg. (Duplay and Cazin, 1891; Tollens, 1905).\r\nRat, Subcutaneous, LD50: 0.45. (Deichmann and Witherup, 1944).\r\nRat, Oral, LD50: 0.53. (Deichmann and Witherup, 1944).\r\nRat, Oral, LD50: 0.65. (Flickinger, 1976).\r\nRat, Cutaneous, LD50: 0.67. (Conning and Hayes, 1970).\r\n","MechanismOfAction":"Phenol is a potent proteolytic agent. Concentrations in the 5% to 7% range dissolve tissue on contact via proteolysis. In high concentrations when injected next to a nerve, phenol produces a chemical neurolysis which is nonselective across nerve fiber size and most prominent on its outer aspect. Local anesthetic effects occur within 5-10 minutes. ","Pharmacodynamics":"","Absorption":"Phenol is rapidly absorbed through the skin and into the lungs. ","Interactions":null,"Salts":null,"Groups":{"approved":true,"experimental":true},"Pathways":null},{"ID":"DB03256","Name":"5-Formyl-5,6,7,8-Tetrahydrofolate","DrugType":"small molecule","HalfLife":"","Description":"The active metabolite of FOLIC ACID. Leucovorin is used principally as its calcium salt as an antidote to folic acid antagonists which block the conversion of folic acid to folinic acid. [PubChem]","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03257","Name":"5-[1-(Acetylamino)-3-Methylbutyl]-2,5-Anhydro-3,4-Dideoxy-4-(Methoxycarbonyl)Pentonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring.","DirectParent":"Furanoid Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03258","Name":"2'-Deoxycytidine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03259","Name":"2',6'-Dichloro-Biphenyl-2,6-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moeity.","DirectParent":"Chlorinated Biphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03260","Name":"1,6-Diaminohexane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03262","Name":"Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03263","Name":"Thiocellobiose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03264","Name":"Dodecyl-Coa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03266","Name":"Pentanedial","DrugType":"small molecule","HalfLife":"","Description":"One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03267","Name":"1-Allyl-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03268","Name":"RU82197","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03269","Name":"4-Deoxy-4-((5-Hydroxymethyl-2,3,4-Trihydroxycyclohex-5,6-Enyl)Amino)Fructose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03270","Name":"2,6-Difluorobenzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03271","Name":"7,8-Dihydro-L-Biopterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03272","Name":"4-Bromo-3-(5'-Carboxy-4'-Chloro-2'-Fluorophenyl)-1-Methyl-5-Trifluoromethyl-Pyrazol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03273","Name":"3'-Oxo-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03274","Name":"2'-5'dideoxyuridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03275","Name":"2-Amino-3-Mercapto-Propionamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03276","Name":"4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03277","Name":"Amylotriose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trihexoses. These are trisaccharides containing three hexose carbohydrates.","DirectParent":"Trihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Trisaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03278","Name":"D-Treitol","DrugType":"small molecule","HalfLife":"","Description":"A four-carbon sugar that is found in algae, fungi, and lichens. It is twice as sweet as sucrose and can be used as a coronary vasodilator. [PubChem]","Classification":{"Description":"This compound belongs to the sugar alcohols. These are hydrogenated forms of carbohydrate, whose carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.","DirectParent":"Sugar Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03279","Name":"Dodecyl-Alpha-D-Maltoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03280","Name":"P1-(5'-Adenosyl)P5-(5'-Thymidyl)Pentaphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside polyphosphates. These are pyrimidine nucleotides with a polyphosphate (with 4 or more phosphate) group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Polyphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03281","Name":"2'-Deoxymaltose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03283","Name":"beta-L-fucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00725","Drugs":["DB01593","DB02263","DB03283","DB04326"]},{"ID":"SMP00064","Drugs":["DB01593","DB02263","DB03283","DB04326"]},{"ID":"SMP00561","Drugs":["DB01593","DB02263","DB03283","DB04326"]}]},{"ID":"DB03284","Name":"2,6-Anhydro-3-Deoxy-D-Erythro-Hex-2-Enonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyran carboxylic acids and derivatives. These are compounds containing a pyran ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Pyran Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyran Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03285","Name":"2',4,4'-Trihydroxychalcone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.","DirectParent":"Chalcones and Dihydrochalcones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Chalcones and Dihydrochalcones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03286","Name":"C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.","DirectParent":"C-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03287","Name":"4-(2-Amino-Ethoxy)-2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-but-3-Enoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03288","Name":"5-Chloro-1h-Indole-2-Carboxylic Acid{[Cyclopentyl-(2-Hydroxy-Ethyl)-Carbamoyl]-Methyl}-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03289","Name":"Thiarsa Dihydroxy Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03290","Name":"L-Naphthyl-1-Acetamido Boronic Acid Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03291","Name":"4-Deoxy-4-Amino-Beta-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03292","Name":"D-2-Amino-3-Phosphono-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03293","Name":"9-Methyl Uric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03294","Name":"1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isothiazole-5-Sulfonic Acid Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03295","Name":"Glutathionylspermidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03296","Name":"Lactose Sialic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the neuraminic acid derivatives. These are compounds containingor dervivated from a neuraminic acid moeity (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid), which is a 9-carbon monosaccharide.","DirectParent":"Neuraminic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03297","Name":"Benzylsulfinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03298","Name":"Phenylphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03299","Name":"N-Succinyl Phenylglycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03300","Name":"Pterin Cytosine Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03301","Name":"2-Allyl-6-Methyl-Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.","DirectParent":"Phenylpropenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03302","Name":"4,5,6,7-Tetrachloro-3h-Isobenzofuran-1-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.","DirectParent":"Phthalides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Benzofuranones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03303","Name":"D-2-Keto-3-Deoxygluconate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03304","Name":"7-Deaza-7-Aminomethyl-Guanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03305","Name":"N5-Iminoethyl-L-Ornithine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03306","Name":"RU78300","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoyl derivatives. These are organic compounds containing an acyl moeity of benzoic acid with the formula (C6H5CO-).","DirectParent":"Benzoyl Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoyl Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03307","Name":"4-[(6-Amino-4-Pyrimidinyl)Amino]Benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03308","Name":"L-Leucyl-Hydroxylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03309","Name":"N-Cyclohexyltaurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03310","Name":"Oxidized Glutathione Disulfide","DrugType":"small molecule","HalfLife":"","Description":"A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized. [PubChem]","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03311","Name":"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03312","Name":"5-Bromovinyldeoxyuridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03313","Name":"Cephalosporin C","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03314","Name":"Fluorotryptophane","DrugType":"small molecule","HalfLife":"","Description":"Fluorotryptophane can be used as substrate analogue to study enzyme mechanisms by NMR spectroscopy.","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03315","Name":"Guanosine-3'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03316","Name":"1,4-Diethylene Dioxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.","DirectParent":"1,4-Dioxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dioxanes","SubClass":"1,4-Dioxanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03317","Name":"Heme C","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03318","Name":"6-Hydro-1-Methyladenosine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03319","Name":"(S)-ATPA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03320","Name":"3-Amino-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03321","Name":"4-Amino-2-Deoxy-2,3-Dehydro-N-Neuraminic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.","DirectParent":"Pyranoid Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03322","Name":"1-(Isopropylamino)-3-(1-Naphthyloxy)-2-Propanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03323","Name":"Maltose","DrugType":"small molecule","HalfLife":"","Description":"A dextrodisaccharide from malt and starch. It is used as a sweetening agent and fermentable intermediate in brewing. (Grant \u0026 Hackh\u0026#39;s Chemical Dictionary, 5th ed)","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00557","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00556","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00058","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00554","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00552","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00553","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00555","Drugs":["DB01373","DB01861","DB03323","DB03435"]}]},{"ID":"DB03325","Name":"Tyrosyladenylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03326","Name":"deoxycytidylyl-3',5'-guanosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03327","Name":"{1-[(3-Hydroxy-Methyl-5-Phosphonooxy-Methyl-Pyridin-4-Ylmethyl)-Amino]-Ethyl}-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03328","Name":"dioxothiomolybdenum(VI) ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.","DirectParent":"Transition Metal Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Organides","SubClass":"Transition Metal Oxides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03329","Name":"2-Pyridinethiol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03330","Name":"S-(N-Hydroxy-N-Iodophenylcarbamoyl)Glutathione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03331","Name":"N-Naphthalen-1-Ylmethyl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a purine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Purine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03332","Name":"5,6-Cyclic-Tetrahydropteridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03333","Name":"(4-sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-yl-ethyl) ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03335","Name":"1-Bromopropane-2-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03336","Name":"BIA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03337","Name":"1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03338","Name":"Heptyl-Beta-D-Glucopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03339","Name":"3-Iodo-Benzyl Alcohol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03340","Name":"3-[(1-Amino-2-Carboxy-Ethyl)-Hydroxy-Phosphinoyl]-2-Methyl-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03341","Name":"Coa-S-Acetyl 5-Bromotryptamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03342","Name":"4-(Acetylamino)-3-Guanidinobenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the guanidinobenzoic acid derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid.","DirectParent":"Guanidinobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03343","Name":"Malate Like Intermediate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03344","Name":"Inositol-(1,3,4,5,6)-Pentakisphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03345","Name":"Beta-Mercaptoethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03346","Name":"3,5,3',5'-Tetrachloro-Biphenyl-4,4'-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moeity.","DirectParent":"Chlorinated Biphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03347","Name":"Triethyl Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03348","Name":"Huperzine B","DrugType":"small molecule","HalfLife":"","Description":"Huperzine B is a novel acetylcholinesterase inhibitor.","Classification":{"Description":"This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.","DirectParent":"Phenanthrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Phenanthrolines","SubClass":""},"Indication":"Under investigation for the treatment of Alzheimer's disease.","Toxicity":"","MechanismOfAction":"Huperzine B has been found to be an inhibitor of the enzyme acetylcholinesterase. This is the same mechanism of action of pharmaceutical drugs such as galantamine and donepezil used to treat Alzheimer's disease.","Pharmacodynamics":"Huperzine B is an alkaloid derived from \u003ci\u003eHuperzia serrata\u003c/i\u003e (which is available as an herbal product in the US). It is under investigation as an acetylcholinesterase inhibitor. Clinical trials in China have shown that huperzine B is comparably effective to the drugs currently on the market, and may even be somewhat safer in terms of side effects.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB03349","Name":"8-Bromo-Adenosine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03350","Name":"Cobalt Hexammine Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the miscellaneous mixed metal/non-metals. These are inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes.","DirectParent":"Miscellaneous Mixed Metal/Non-metals","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Miscellaneous Mixed Metal/Non-metals","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03351","Name":"Sri-9439","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03352","Name":"S-Arsonocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03353","Name":"2-Iminobiotin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienoimidazolidines. These are heterocyclic compounds containing a thiophene ring fused to an imidazolidine ring.","DirectParent":"Thienoimidazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienoimidazolidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03354","Name":"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Oxadiazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.","DirectParent":"C-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03355","Name":"5'-O-(N-(L-Threonyl)-Sulfamoyl)Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03357","Name":"(S)-Mandelic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03358","Name":"7n-Methyl-8-Hydroguanosine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03359","Name":"M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03360","Name":"N-Acetylproline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03361","Name":"2-{(9as)-9a-[(1s)-1-Hydroxyethyl]-2,7-Dimethyl-9a,10-Dihydro-5h-Pyrimido[4,5-D][1,3]Thiazolo[3,2-a]Pyrimidin-8-Yl}Ethyl Trihydrogen Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03362","Name":"N-Dimethyl-Lysine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03363","Name":"3-Acetylpyridine Adenine Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"A coenzyme composed of ribosylnicotinamide 5\u0026#39;-diphosphate coupled to adenosine 5\u0026#39;-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). (Dorland, 27th ed)","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03364","Name":"N-Carbamyl-D-Methionine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03365","Name":"4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03367","Name":"PF-00356231","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03368","Name":"5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03369","Name":"9-Aminophenanthrene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.","DirectParent":"Phenanthrenes and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Phenanthrenes and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03370","Name":"FR239087","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03371","Name":"Modified Ribosylated Glutamyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the other disaccharides. These are disaccharides that are neither an hexose disaccharide nor a mixed hexose/pentose disaccharide.","DirectParent":"Other Disaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03372","Name":"3-Mercapto-1-(1,3,4,9-Tetrahydro-B-Carbolin-2-Yl)-Propan-1-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.","DirectParent":"Beta Carbolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyridoindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03373","Name":"ZK-806711","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03374","Name":"3,5-Diiodotyrosine","DrugType":"small molecule","HalfLife":"","Description":"A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE). [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03376","Name":"'5'-O-(N-(L-Alanyl)-Sulfamoyl)Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03378","Name":"4-Amino-1-[(1s,3r,4r,7s)-7-Hydroxy-1-(Hydroxymethyl)-2,5-Dioxabicyclo[2.2.1]Hept-3-Yl]-5-Methylpyrimidin-2(1h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03379","Name":"2-Carboxyethylphosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03380","Name":"L-Tyrosinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03381","Name":"Hexadecanal","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00348","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00526","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00347","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00525","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00034","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00349","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]}]},{"ID":"DB03382","Name":"S-Oxy Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03383","Name":"5-Chloro-1h-Indole-2-Carboxylic Acid [1-(4-Fluorobenzyl)-2-(4-Hydroxypiperidin-1yl)-2-Oxoethyl]Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03384","Name":"Fica","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03385","Name":"4-Methylimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03386","Name":"4-Fluorotryptophane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03387","Name":"N-Hydroxy-N-Isopropyloxamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03388","Name":"3-[(2,4-Dichlorobenzoyl)(Isopropyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03389","Name":"alpha-D-Xylopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03390","Name":"N-Propyl-Tartramic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03391","Name":"Chromophore (Met-Tyr-Gly)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03392","Name":"(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yl)-Phosphoramidic Acid Dimethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03393","Name":"(3s,6s,9r,10r,11s,12s,13e,15e,18s,21s)-18-{(1e,3e,7s,8s)-9-[(2s,3r,4s,5s,6r,9s,11s)-9-Ethyl-4-Hydroxy-3,5,11-Trimethyl-8-Oxo-1-Oxa-7-Azaspiro[5.5]Undec-2-Yl]-8-Hydroxy-1,7-Dimethylnona-1,3-Dienyl}-10,12-Dihydroxy-3-(3-Hydroxybenzyl)-6-Isopropyl-11-Methyl-","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03395","Name":"Enalkiren","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03396","Name":"(E)-(2r,3r,4s,5r)-3,4,5-Trihydroxy-2-Methoxy-8,8-Dimethyl-Non-6-Enoic Acid ((3s,6r)-6-Hydroxy-2-Oxo-Azepan-3-Yl)-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03397","Name":"Uridine-Diphosphate-N-Acetylglucosamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03399","Name":"Ethyl Isocyanide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03400","Name":"3-(P-Tolyl)Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03401","Name":"D-Myo-Inositol-1,4,5-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell\u0026#39;s endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin. [PubChem]","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03402","Name":"1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycero-3-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle.","DirectParent":"Acyclic Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03403","Name":"Cytidine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"Cytidine (dihydrogen phosphate). A cytosine nucleotide containing one phosphate group esterified to the sugar moiety in the 2\u0026#39;, 3\u0026#39; or 5\u0026#39; position. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03404","Name":"6,7-Dicarboxyl-1,2,3,4,5,8-Hexamethylhemin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03405","Name":"1-[N[(Phenylmethoxy)Carbonyl]-L-Leucyl-4-[[N/N-[(Phenylmethoxy)Carbonyl]-/Nl-Leucyl]Amino]-3-Pyrrolidinone/N","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03406","Name":"O1-Methyl-4-Deoxy-4-Thio-Alpha-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03407","Name":"4-Nitrocatechol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03408","Name":"Gamma-Glutamylcysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00013","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00183","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00499","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00015","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00337","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00501","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00500","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00143","Drugs":["DB00142","DB00143","DB00145","DB00151","DB01593","DB03088","DB03408"]},{"ID":"SMP00722","Drugs":["DB00119","DB00142","DB00151","DB01592","DB01593","DB03408"]},{"ID":"SMP00243","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00385","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00072","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00339","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00136","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]},{"ID":"SMP00567","Drugs":["DB00119","DB00121","DB00128","DB00130","DB00139","DB00142","DB00143","DB00145","DB00151","DB00160","DB01593","DB01972","DB02530","DB03408"]}]},{"ID":"DB03409","Name":"Octahydroindole-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03410","Name":"4-hydroxycoumarin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03411","Name":"2-Hydroxymethyl-Pyrrolidine-3,4-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-member saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.","DirectParent":"Pyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03412","Name":"6-Hydroxy-L-Norleucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03413","Name":"Deoxyuridine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside diphosphates. These are pyrimidine nucleotides with a diphosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03414","Name":"5-Thio-a/B-D-Mannopyranosylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur atom.","DirectParent":"Thianes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thianes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03415","Name":"3-Thiaoctanoyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03416","Name":"Thiamin Phosphate","DrugType":"small molecule","HalfLife":"","Description":"Thiamine dihydrogen phosphate ester. The monophosphate ester of thiamine. Synonyms: monophosphothiamine; vitamin B1 monophosphate. [PubChem]","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03417","Name":"1-(4-Tert-Butylcarbamoyl-Piperazine-1-Carbonyl)-3-(3-Guanidino-Propyl)-4-Oxo-Azetidine-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03418","Name":"Diacetyldeuteroheme","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03419","Name":"Uracil","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00007","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00351","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00493","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00492","Drugs":["DB00117","DB00128","DB00142","DB01373","DB01593","DB03107","DB03247","DB03419"]},{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00219","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00202","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]}]},{"ID":"DB03420","Name":"2,4-Deoxy-4-Guanidino-5-N-Acetyl-Neuraminic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03421","Name":"2-Phenethyl-2,3-Dihydro-Phthalazine-1,4-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phthalazinones. These are compounds containing a phthalazine bearing a ketone group.","DirectParent":"Phthalazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Phthalazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03422","Name":"1,3-Thiazole-4-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazolecarboxylic acids. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group.","DirectParent":"Thiazolecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03423","Name":"S-Adenosyl-L-Homoselenocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03424","Name":"Bestatin","DrugType":"small molecule","HalfLife":"","Description":"Bestatin is a competitive protease inhibitor. It is an inhibitor of aminopeptidase B, leukotriene A4 hydrolase, aminopeptidase N. It is being studied for use in the treatment of acute myelocytic leukemia.","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"An adjuvant therapy used for acute and chronic myelonous leukemia, lung cancer and nasopharyngeal cancer. It is also used to treat hypercholesterolaemia.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03425","Name":"2s,4r-4-Methylglutamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03426","Name":"Digalactosyl Diacyl Glycerol (Dgdg)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylglycerols. These are glycerolipids structurally characterized by the presence of one or more sugar residues attached to glycerol via a glycosidic linkage.","DirectParent":"Glycosylglycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerolipids","SubClass":"Glycosylglycerols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03427","Name":"Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Vinylglycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03428","Name":"SU9516","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03429","Name":"Cardiolipin","DrugType":"small molecule","HalfLife":"","Description":"Cardiolipin (bisphosphatidyl glycerol) is an important component of the inner mitochondrial membrane, where it constitutes about 20% of the total lipid. It is typically present in metabolically active cells of the heart and skeletal muscle, in the membranes of their mitochondria, mostly in the inner membrane, and consists roughly 20% of its lipids. It has also been observed in certain bacterial membranes. It serves as an insulator and stabilizes the activity of protein complexes important to the electron transport chain. It also \"glues\" them together. Cardiolipin is a \"double\" phospholipid because it has four fatty acid tails, instead of the usual two. [Wikipedia]","Classification":{"Description":"This compound belongs to the cardiolipins. These are glycerophospholipids in which the O1 and O3 oxygen atoms of the central glycerol moiety are each linked to one 1,3-diacylglyerol chain. Their general formula is OC(COP(O)(=O)OC[C@@H](CO[R1])O[R2])COP(O)(=O)OC[C@@H](CO[R3])O[R4], where R1-R4 are four fatty acyl chains.","DirectParent":"Cardiolipins","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Cardiolipins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03430","Name":"(2s)-Hydroxy(4-Hydroxyphenyl)Ethanenitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.","DirectParent":"Benzyl Cyanides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyl Cyanides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03432","Name":"Beta-Amino Isobutyrate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03433","Name":"{3-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-2-Methyl-Propyl}-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.","DirectParent":"Phosphoethanolamines","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03434","Name":"3[N-Morpholino]Propane Sulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.","DirectParent":"Morpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03435","Name":"Uridine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"A uracil nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00590","Drugs":["DB03435"]},{"ID":"SMP00635","Drugs":["DB03435"]},{"ID":"SMP00600","Drugs":["DB00762","DB03435"]},{"ID":"SMP00651","Drugs":["DB03435","DB06697"]},{"ID":"SMP00648","Drugs":["DB00398","DB03435"]},{"ID":"SMP00471","Drugs":["DB00675","DB03435"]},{"ID":"SMP00628","Drugs":["DB00184","DB03435"]},{"ID":"SMP00606","Drugs":["DB00675","DB03435"]},{"ID":"SMP00433","Drugs":["DB00762","DB03435"]},{"ID":"SMP00622","Drugs":["DB00295","DB03435"]},{"ID":"SMP00637","Drugs":["DB00193","DB03435"]},{"ID":"SMP00642","Drugs":["DB00238","DB03435"]},{"ID":"SMP00644","Drugs":["DB01593","DB03435"]},{"ID":"SMP00649","Drugs":["DB00709","DB03435"]},{"ID":"SMP00068","Drugs":["DB00624","DB00783","DB01373","DB03435"]},{"ID":"SMP00557","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00058","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00621","Drugs":["DB00295","DB00318","DB03435"]},{"ID":"SMP00356","Drugs":["DB00624","DB00783","DB01373","DB03435"]},{"ID":"SMP00554","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00552","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00601","Drugs":["DB00773","DB01373","DB03435"]},{"ID":"SMP00640","Drugs":["DB00143","DB00316","DB03435"]},{"ID":"SMP00652","Drugs":["DB00688","DB01024","DB01345","DB03435"]},{"ID":"SMP00565","Drugs":["DB00624","DB00783","DB01373","DB03435"]},{"ID":"SMP00556","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00442","Drugs":["DB00773","DB01373","DB03435"]},{"ID":"SMP00553","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00555","Drugs":["DB01373","DB01861","DB03323","DB03435"]},{"ID":"SMP00327","Drugs":["DB00118","DB00252","DB01345","DB01373","DB03435"]},{"ID":"SMP00024","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00342","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00526","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00086","Drugs":["DB00142","DB00143","DB01373","DB01593","DB03435","DB04557"]},{"ID":"SMP00034","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00349","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00344","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00096","Drugs":["DB00142","DB00143","DB01373","DB01593","DB03435","DB04557"]},{"ID":"SMP00406","Drugs":["DB00295","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00347","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00345","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00525","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00405","Drugs":["DB00295","DB00318","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00431","Drugs":["DB00184","DB00368","DB00988","DB01345","DB01373","DB03435"]},{"ID":"SMP00348","Drugs":["DB00133","DB01373","DB01593","DB01861","DB03381","DB03435"]},{"ID":"SMP00346","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00240","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00045","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00043","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]},{"ID":"SMP00182","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]},{"ID":"SMP00534","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00216","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00444","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00217","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00390","Drugs":["DB00119","DB00130","DB00141","DB00142","DB01296","DB01819","DB02431","DB03166","DB03435"]},{"ID":"SMP00580","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00579","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00219","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00202","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]}]},{"ID":"DB03436","Name":"Gallichrome","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03437","Name":"2-{1-[2-(2-Amino-Thiazol-4-Yl)-2-Methoxyimino-Acetylamino]-2-Oxo-Ethyl}-5,5-Dimethyl-Thiazolidine-4-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03438","Name":"Lysophosphatidylglycerol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lysophosphatidylglycerols. These are glycerophosphoglycerols (molecules containing a glycerol moiety attached to the phosphate group linked to a glycerol) in which only one fatty acid is bonded to the 1-glycerol moiety (through an ester linkage).","DirectParent":"Lysophosphatidylglycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoglycerols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03439","Name":"4,6-Dideoxy-4-Amino-Alpha-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03440","Name":"N-Hexadecanoylglycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03441","Name":"2-Benzyl-3-Iodopropanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03442","Name":"2-[5-Hydroxy-3-Methyl-1-(2-Methyl-4-Sulfo-Phenyl)-1h-Pyrazol-4-Ylazo]-4-Sulfo-Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 4-sulfobenzoic acids.","DirectParent":"4-Sulfobenzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03443","Name":"Bis(5-Amidino-Benzimidazolyl)Methanone Zinc","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03444","Name":"(3e)-6'-Bromo-2,3'-Biindole-2',3(1h,1'h)-Dione 3-Oxime","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03445","Name":"Tazobactam Trans-Enamine Intermediate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03446","Name":"3-Benzylaminocarbonylphenyl-Alpha-D-Galactoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03447","Name":"Uridylyl-2'-5'-Phospho-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03448","Name":"2'-Deoxyuridine 3'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03449","Name":"N-(4-(2-((3-Chlorophenylmethyl)Amino)Ethyl)Phenyl)-2-Thiophecarboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03450","Name":"Cephalothin Group","DrugType":"small molecule","HalfLife":"","Description":"Cephalothin group is a solid. This compound belongs to the 1,3-thiazines. These are organic compounds containing 1,3-thiazine, a six-member ring with a nitrogen and a sulfur atom in ring positions 1 and 3 respectively, as well as two double bonds. This substance is known to target beta-lactamase Toho-1 and D-alanyl-D-alanine carboxypeptidase.","Classification":{"Description":"This compound belongs to the 1,3-thiazines. These are organic compounds containing 1,3-thiazine, a six-member ring with a nitrogen and a sulfur atoms in ring positions 1 and 3 respectively, as well as two double bonds.","DirectParent":"1,3-Thiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiazines","SubClass":"1,3-Thiazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00798"},{"ID":"DB00955"},{"ID":"DB01032"},{"ID":"DB00684"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03451","Name":"1-alpha, 25-dihydroxyl-20-epi-22-oxa-24, 26 ,27-trihomovitamin D3","DrugType":"small molecule","HalfLife":"","Description":"1-alpha, 25-dihydroxyl-20-epi-22-oxa-24, 26 ,27-trihomovitamin D3 is a solid. This compound belongs to the vitamin D and derivatives class of chemicals. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane. It is known to target the vitamin D3 receptor.","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03452","Name":"3-Trimethylsilylsuccinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03453","Name":"(R)—N[2-[1-(aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-l-phenylalanine methylester","DrugType":"small molecule","HalfLife":"","Description":"(R)—N[2-[1-(aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-l-phenylalanine methylester is a solid. This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. This substance targets the protein interleukin-2.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03454","Name":"3-methyl-benzene-1,2-diol","DrugType":"small molecule","HalfLife":"","Description":"3-methyl-benzene-1,2-diol is a solid. This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity. 3-methyl-benzene-1,2-diol targets the protein biphenyl-2,3-diol 1,2-dioxygenase.","Classification":{"Description":"This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity.","DirectParent":"Catechols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03455","Name":"(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid","DrugType":"small molecule","HalfLife":"","Description":"(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid is a solid. This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. (1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid is known to target interleukin-2.","Classification":{"Description":"This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.","DirectParent":"Indole-3-acetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03456","Name":"N2-[(benzyloxy)carbonyl]-n1-[(3S)-1-cyanopyrrolidin-3-yl]-l-leucinamide","DrugType":"small molecule","HalfLife":"","Description":"N2-[(benzyloxy)carbonyl]-n1-[(3S)-1-cyanopyrrolidin-3-yl]-l-leucinamide is a solid. This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. It is known to target cathepsin K.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03458","Name":"N(4)-adenosyl-N(4)-methyl-2,4-diaminobutanoic acid","DrugType":"small molecule","HalfLife":"","Description":"N(4)-adenosyl-n(4)-methyl-2,4-diaminobutanoic acid is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03459","Name":"N-(phosphonacetyl)-L-aspartic acid","DrugType":"small molecule","HalfLife":"","Description":"N-(phosphonacetyl)-L-aspartic acid is a solid. This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. This substance is known to target aspartate carbamoyltransferase catalytic chain and CAD protein.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03460","Name":"Violaxanthin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthophylls. These are carotenoids containing an oxygenated carotene backbone.","DirectParent":"Xanthophylls","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Tetraterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03461","Name":"2'-Monophosphoadenosine 5'-Diphosphoribose","DrugType":"small molecule","HalfLife":"","Description":"Nicotinamide adenine dinucleotide phosphate. A coenzyme composed of ribosylnicotinamide 5\u0026#39;-phosphate (NMN) coupled by pyrophosphate linkage to the 5\u0026#39;-phosphate adenosine 2\u0026#39;,5\u0026#39;-bisphosphate. It serves as an electron carrier in a number of reactions, being alternately oxidized (NADP+) and reduced (NADPH). (Dorland, 27th ed)","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03462","Name":"Thymine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03463","Name":"Para-Xylene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.","DirectParent":"Toluenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Toluenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03464","Name":"Formycin-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidine nucleosides and nucleotides. These are nucleoside or nucleotide analogues containing a pyrazolopyrimidine moiety is linked to a ribose (or ribose derivative).","DirectParent":"Pyrazolopyrimidine Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03465","Name":"2-Phospho-D-Glyceric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03466","Name":"BMS184394","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03467","Name":"Naringenin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavanones. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.","DirectParent":"Flavanones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03468","Name":"1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03469","Name":"Heme D","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03470","Name":"Trypanothione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03471","Name":"6-Phenyl-4(R)-(7-Phenyl-Heptanoylamino)-Hexanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03472","Name":"Cyclohexyl-Hexyl-Beta-D-Maltoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03473","Name":"N5-Methylglutamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03474","Name":"Reactive Red 1 Dye","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03475","Name":"1-[4-Carboxy-2-(3-Pentylamino)Phenyl]-5,5'-Di(Hydroxymethyl)Pyrrolidin-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03476","Name":"Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03477","Name":"1-Phenylsulfonamide-3-Trifluoromethyl-5-Parabromophenylpyrazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03478","Name":"2'-O-Acetyl Adenosine-5-Diphosphoribose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03479","Name":"8,9,10-Trihydroxy-7-Hydroxymethyl-3-Methyl-6-Oxa-1,3-Diaza-Spiro[4.5]Decane-2,4-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03480","Name":"Brequinar Analog","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03481","Name":"5,10-Dimethylene Tetrahydromethanopterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the disaccharide phosphates. These are disaccharides in which a carbohydrate moiety bears a phosphate group.","DirectParent":"Disaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03482","Name":"8-Demethyl-8-Dimethylamino-Flavin-Adenine-Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03483","Name":"4-Benzoylamino-4-{1-{1-Carbamoyl-2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Ethylcarbamoyl}-2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Ethylcarbamoyl}-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03484","Name":"L-Alpha-Glycerophosphorylethanolamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03485","Name":"Alpha-D-Fucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03486","Name":"Phosphomethylphosphonic Acid Guanosyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03487","Name":"3-Aminosuccinimide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolidones. These are compounds containing a pyrrolidine ring which bears a ketone.","DirectParent":"Pyrrolidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Pyrrolidones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03488","Name":"Uridine-5'-Diphosphate-2-Deoxy-2-Fluoro-Alpha-D-Galactose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03489","Name":"2-Keto-3-Deoxygluconate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03490","Name":"3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03491","Name":"2'-Deoxyguanosine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03492","Name":"Lambda-Bis(2,2'-Bipyridine)Imidazole Osmium (Ii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03493","Name":"7-Methylguanosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03494","Name":"CRA_10950","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03495","Name":"4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1-\u003e4)-Alpha-D-Threo-Hexopyranosyl-(1-\u003e6)-Alpha-L-Threo-Hexopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetrahexoses. These are tetrasaccharides containing four hexose carbohydrates.","DirectParent":"Tetrahexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Tetrasaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03496","Name":"Flavopiridol","DrugType":"small molecule","HalfLife":"","Description":"Flavopiridol is a synthetic flavonoid based on an extract from an Indian plant for the potential treatment of cancer. It works by inhibiting cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells.","Classification":{"Description":"This compound belongs to the flavonols. These are compounds that has the 3-hydroxyflavone backbone.","DirectParent":"Flavonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"Investigated for use/treatment in esophageal cancer, leukemia (lymphoid), lung cancer, liver cancer, and lymphoma (unspecified).","Toxicity":"","MechanismOfAction":"Inhibits cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000800","Name":"Flavopiridol hydrochloride"}],"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB03497","Name":"O-Sulfo-L-Serine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03498","Name":"Mercaptomethyl Phosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids and derivatives. These are organic compounds containing phosphonic acid or a derivative thereof.","DirectParent":"Organic Phosphonic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03499","Name":"Malate Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03500","Name":"Tricosanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03501","Name":"Uridine Diphosphate Galactose","DrugType":"small molecule","HalfLife":"","Description":"A nucleoside diphosphate sugar which can be epimerized into UDPglucose for entry into the mainstream of carbohydrate metabolism. Serves as a source of galactose in the synthesis of lipopolysaccharides, cerebrosides, and lactose. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03502","Name":"(4s)-4-{[(2s)-2-Amino-3-Oxopropyl]Sulfanyl}-L-Homoserinate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03503","Name":"4-Acetyl-4-Guanidino-6-Methyl(Propyl)Carboxamide-4,5-Dihydro-2h-Pyran-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.","DirectParent":"Pyranoid Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03504","Name":"9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9h-Purin-6-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03505","Name":"2,6-Diaminoquinazolin-4(3h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03506","Name":"9-Deazaadenine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03507","Name":"6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03508","Name":"1-Ethoxy-2-(2-Methoxyethoxy)Ethane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03509","Name":"2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.","DirectParent":"Quinoxalines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinoxalines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03510","Name":"6-O-Phosphoryl Inosine Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03511","Name":"Galacturonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03512","Name":"Uridine-2',3'-Vanadate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03513","Name":"(S)-2-Amino-3-(4h-Selenolo[3,2-B]-Pyrrol-6-Yl)-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03514","Name":"2-Methoxy-4-Vinyl-Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxyphenols and derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.","DirectParent":"Methoxyphenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03515","Name":"Equilenin","DrugType":"small molecule","HalfLife":"","Description":"An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares. [PubChem]","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03516","Name":"Eniluracil","DrugType":"small molecule","HalfLife":"","Description":"Eniluracil, which was previously under development by GlaxoSmithKline (GSK), is being developed by Adherex to enhance the therapeutic value and effectiveness of 5-fluorouracil (5-FU), one of the world’s most widely-used oncology agents. 5-FU is widely used in the U.S. and is often first or second line therapy for a variety of cancers including colorectal, breast, gastric, head and neck, ovarian and basal cell cancer of the skin. Eniluracil could improve 5-FU by increasing its effectiveness, reducing its side effects and/or making it orally available. Eniluracil has received Orphan Drug status from the FDA for the treatment of hepatocellular cancer in combination with fluoropyrimidines (including 5-FU).","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"For the treatment of cancer in combination with 5-fluorouracil.","Toxicity":"","MechanismOfAction":"Normally, 5-FU is rapidly broken down in the body by an enzyme known as dihydropyrimidine dehydrogenase (DPD). Eniluracil irreversibly inhibits DPD, thereby substantially slowing the breakdown of 5-FU and prolonging exposure of the tumor cells to the drug.","Pharmacodynamics":"Eniluracil is an orally active dihydropyrimidine dehydrogenase (DPD) inhibitor, designed to enhance activity of chemotaxic agents. It is under investigation by Adherex, under license from GlaxoSmithKline, for the treatment of cancer in combination with 5-fluorouracil (5-FU).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB03517","Name":"[Methylthio]Acetate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.","DirectParent":"Thia Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Thia Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03518","Name":"(R)-Mevalonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03519","Name":"2-Amino-Pentanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03520","Name":"6-Chloro-2-Fluoropurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03522","Name":"Aspartic Acid-4-Carboxymethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03523","Name":"6-Fluoro-2-(2'-Fluoro-1,1'-Biphenyl-4-Yl)-3-Methylquinoline-4-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03524","Name":"N-{3-[4-(3-Amino-Propyl)-Piperazin-1-Yl]-Propyl}-3-(2-Thiophen-2-Yl-Acetylamino)-5-(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yloxy)-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03525","Name":"RU79073","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.","DirectParent":"Hydroquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03526","Name":"AL5927","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03528","Name":"9-Beta-D-Xylofuranosyl-Adenine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03530","Name":"Acylated Ceftazidime","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03531","Name":"Flavin-Adenine Dinucleotide-N5-Isobutyl Ketone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavin nucleotides. These are nucleotides containing a flavin moiety.","DirectParent":"Flavin Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03532","Name":"Phosphomethylphosphonic Acid Guanylate Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03533","Name":"Glycoluril","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazolidinones. These are organic compounds containing an imidazolidinone moiety, which is an imidazolidine ring bearing a ketone.","DirectParent":"Imidazolidinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03534","Name":"3-[(Acetyl-Methyl-Amino)-Methyl]-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03535","Name":"Z-Pro-Prolinal","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03536","Name":"Benzoyl-Arginine-Alanine-Methyl Ketone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03537","Name":"[4-(4-Hydroxy-Benzyl)-2-(2-Hydroxy-1-Methyl-Ethyl)-5-Oxo-Imidazolidin-1-Yl]-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03539","Name":"2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.","DirectParent":"Cyclic Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03540","Name":"Norcamphor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclohexanones. These are compounds containing a cyclohexane moiety which bears a keto group.","DirectParent":"Cyclohexanones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03541","Name":"10-Propargyl-5,8-Dideazafolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03542","Name":"L-Myo-Inositol-1-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03543","Name":"1-(O-Carboxy-Phenylamino)-1-Deoxy-D-Ribulose-5-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03544","Name":"S-Phosphocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03546","Name":"10-CF3C(OH)2-DDACTHF","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03548","Name":"3-Deoxy-D-Manno-Oct-2-Ulosonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the c-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a C-glycosidic bond.","DirectParent":"C-Glucuronides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03549","Name":"Biotinyl P-Nitroaniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03550","Name":"Isopenicillin N","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03551","Name":"4'-Deaza-1'-Aza-2'-Deoxy-1'-(9-Methylene)-Immucillin-H, (3r,4r)-N-[9-Deazahypoxanthin-9-Yl)Methyl]-4-Hydroxymethyl-Pyrrolidin-3-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03552","Name":"Meta-Tyrosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03553","Name":"Glutaric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03554","Name":"5-Iodouracil","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the halopyrimidines. These are aromatic compounds containing an halogen atom linked to a pyrimidine ring.","DirectParent":"Halopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03555","Name":"CRA_11092","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03556","Name":"2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03557","Name":"N-{1-[5-(1-Carbamoyl-2-Mercapto-Ethylcarbamoyl)-Pentylcarbamoyl]-2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Ethyl}-3-{2-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Acetylamino}-Succinamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03558","Name":"Sp-876","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03559","Name":"Cyclohexylformamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).","DirectParent":"Secondary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03560","Name":"P-Hydroxybenzaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoyl derivatives. These are organic compounds containing an acyl moeity of benzoic acid with the formula (C6H5CO-).","DirectParent":"Benzoyl Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoyl Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03561","Name":"Cyclohexane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03562","Name":"Tetrahydrodeoxyuridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03563","Name":"Tetradecane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03564","Name":"(4r)-2-Methylpentane-2,4-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).","DirectParent":"Tertiary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Tertiary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03565","Name":"1-O-Octyl-2-Heptylphosphonyl-Sn-Glycero-3-Phosphoethanolamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.","DirectParent":"Phosphoethanolamines","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03566","Name":"Spermidine","DrugType":"small molecule","HalfLife":"","Description":"Spermidine is a polyamine formed from putrescine. It is found in almost all tissues in association with nucleic acids. It is found as a cation at all pH values, and is thought to help stabilize some membranes and nucleic acid structures. It is a precursor of spermine.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00445","Drugs":["DB00118","DB00127","DB00129","DB00134","DB01345","DB01917","DB03566"]},{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00221","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00340","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00570","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]}]},{"ID":"DB03567","Name":"N-Acetyl-2-Deoxy-2-Amino-Galactose","DrugType":"small molecule","HalfLife":"","Description":"The N-acetyl derivative of galactosamine. [PubChem]","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03568","Name":"Butanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00073","Drugs":["DB00139","DB03568"]},{"ID":"SMP00456","Drugs":["DB00121","DB02175","DB03166","DB03568","DB03600","DB04519","DB04524"]}]},{"ID":"DB03569","Name":"4,5-Dehydro-L-Iduronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyran carboxylic acids and derivatives. These are compounds containing a pyran ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Pyran Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyran Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03570","Name":"Tris-Hydroxymethyl-Methyl-Ammonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyols. These are organic compounds containing more than one hydroxyl groups.","DirectParent":"Polyols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Polyols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03571","Name":"3-(5-Amino-7-Hydroxy-[1,2,3]Triazolo[4,5-D]Pyrimidin-2-Yl)-N-(3,5-Dichlorobenzyl)-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03572","Name":"FR230513","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03573","Name":"WRR-99","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03574","Name":"Ferricrocin-Iron","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03575","Name":"Phencyclidine","DrugType":"small molecule","HalfLife":"","Description":"A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to ketamine in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (receptors, N-methyl-D-aspartate). As a drug of abuse, it is known as PCP and Angel Dust. [PubChem]","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"The N-methyl-D-Aspartate (NMDA) receptor, a type of ionotropic receptor, is found on the dendrites of neurons and receives signals in the form of neurotransmitters. It is a major excitatory receptor in the brain. Normal physiological function requires that the activated receptor fluxes positive ions through the channel part of the receptor. PCP enters the ion channel from the outside of the neuron and binds, reversibly, to a site in the channel pore, blocking the flux of positive ions into the cell. PCP therefore inhibits depolarization of neurons and interferes with cognitive and other functions of the nervous system. [Wikipedia]\r\n","Pharmacodynamics":"Phencyclidine works primarily as an NMDA receptor antagonist, which blocks the activity of the NMDA Receptor.\r\n","Absorption":"","Interactions":[{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000824","Name":"Phencyclidine hydrochloride"}],"Groups":{"illicit":true},"Pathways":null},{"ID":"DB03576","Name":"N-Pyridoxyl-Threonine-5-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03577","Name":"Alpha-Benzyl-Aminobenzyl-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03578","Name":"Pyruvamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.","DirectParent":"Primary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03579","Name":"Pyridoxyl-N,O-Cycloserylamide-5-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxazolidinones. These are compounds containing an oxatriazolidinone moiety, which is an oxatriazolidine bearing a ketone group.","DirectParent":"Oxazolidinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Oxazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03581","Name":"Glucose-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"An ester of glucose with phosphoric acid, made in the course of glucose metabolism by mammalian and other cells. It is a normal constituent of resting muscle and probably is in constant equilibrium with fructose-6-phosphate. (Stedman, 26th ed)","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03582","Name":"N~2~-Succinylornithine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03583","Name":"(2e,3s)-3-Hydroxy-5'-[(4-Hydroxypiperidin-1-Yl)Sulfonyl]-3-Methyl-1,3-Dihydro-2,3'-Biindol-2'(1'h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03584","Name":"4-Deoxy-4-Thio-Beta-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03585","Name":"Oxyphenbutazone","DrugType":"small molecule","HalfLife":"","Description":"Oxyphenbutazone was withdrawn from the Canadian market in March 1985 due to concerns regarding bone marrow suppression.","Classification":{"Description":"This compound belongs to the aminophenols. These are organic compounds containing an amino group attached to a phenol.","DirectParent":"Aminophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB00630"},{"ID":"DB01125"},{"ID":"DB00266"},{"ID":"DB00754"},{"ID":"DB01320"},{"ID":"DB00532"},{"ID":"DB00252"},{"ID":"DB00682"}],"Salts":null,"Groups":{"experimental":true,"withdrawn":true},"Pathways":null},{"ID":"DB03586","Name":"5(R)-5-Fluoro-Beta-D-Xylopyranosyl-Enzyme Intermediate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03587","Name":"Pyruvoyl Group","DrugType":"small molecule","HalfLife":"","Description":"An organic compound used often as a reagent in organic synthesis, as a flavoring agent, and in tanning. It has been demonstrated as an intermediate in the metabolism of acetone and its derivatives in isolated cell preparations, in various culture media, and in vivo in certain animals. [PubChem]","Classification":{"Description":"This compound belongs to the ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be H).","DirectParent":"Ketones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03588","Name":"Diphenylacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03589","Name":"Alpha-Ketomalonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03590","Name":"2,6-Diaminopimelic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03591","Name":"RU82209","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03592","Name":"Pterin-6-Yl-Methyl-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03593","Name":"N7-Methyl-Guanosine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03594","Name":"1,2,4-Triazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03595","Name":"CRA_9785","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03596","Name":"N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03597","Name":"Gamma-Glutamyl[S-(2-Iodobenzyl)Cysteinyl]Glycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03598","Name":"Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03599","Name":"4-Thio-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03600","Name":"Decanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"Decanoic acid is a solid. This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain. The proteins that decanoic acid targets include furin, octanoyltransferase, 3-oxoacyl-[acyl-carrier-protein] synthase 1, peptostreptococcal albumin-binding protein, and putative uncharacterized protein tcp14.","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00456","Drugs":["DB00121","DB02175","DB03166","DB03568","DB03600","DB04519","DB04524"]}]},{"ID":"DB03601","Name":"5-deoxyflavanone","DrugType":"small molecule","HalfLife":"","Description":"5-deoxyflavanone is a solid. This compound belongs to the flavanones. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.","Classification":{"Description":"This compound belongs to the flavanones. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.","DirectParent":"Flavanones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03602","Name":"S-Benzyl-Glutathione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03603","Name":"Glucarate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03604","Name":"[4-(4-Hydroxy-3-Iodo-Phenoxy)-3,5-Diiodo-Phenyl]-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03605","Name":"(2s)-2-[(2,4-Dichloro-Benzoyl)-(3-Trifluoromethyl-Benzyl)-Amino]-3-Phenyl-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03606","Name":"(S)-Rolipram","DrugType":"small molecule","HalfLife":"","Description":"A phosphodiesterase inhibitor with antidepressant properties. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03607","Name":"D-Para-Chlorophenyl-1-Acetamidoboronic Acid Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03608","Name":"Diminazene","DrugType":"small molecule","HalfLife":"","Description":"Diminazene, also known as Diminazine, 4,4'-(Diazoamino)benzamidine, 4,4'-(1-Triazene-1,3-diyl)bis-benzenecarboximidamide, Diminazine aceturate, or Diminazene aceturate, is a trypanocidal agent. Major brands of Diminazene are Berenil, Pirocide, Ganasag, and Azidin. This substance is a solid. This compound belongs to the phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group. Known drug targets of diminazene include HTH-type transcriptional regulator QacR, trypsin-1, amiloride-sensitive amine oxidase [copper-containing], and mitochondrial peroxiredoxin-5.","Classification":{"Description":"This compound belongs to the phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of an hydrazide substituent attacthed to a phenyl group.","DirectParent":"Phenylhydrazines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylhydrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03609","Name":"3-Deoxyguanosine","DrugType":"small molecule","HalfLife":"","Description":"3-deoxyguanosine is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar. This medication targets the protein purine nucleoside phosphorylase.","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03610","Name":"Alpha,Alpha,Alpha-Trifluoro-P-Cresol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03611","Name":"L-2-Amino-4-Methoxy-Cis-but-3-Enoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03612","Name":"3-Hydroxybutyryl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03613","Name":"4-Hydroxyphenacyl Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.","DirectParent":"Coenzyme A and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03614","Name":"Co-Methylcobalamin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cobalamin derivatives. These are organic compounds containing a corrin ring, a cobalt atom, an a nucleotide moiety. Cobalamin Derivatives are actually derived from vitamin B12.","DirectParent":"Cobalamin Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Corrinoids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03615","Name":"Ribostamycin","DrugType":"small molecule","HalfLife":"","Description":"A broad-spectrum antimicrobial isolated from \u003ci\u003eStreptomyces ribosifidicus\u003c/i\u003e. [PubChem]","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"Aminoglycosides work by binding to the bacterial 30S ribosomal subunit (some work by binding to the 50S subunit), inhibiting the translocation of the peptidyl-tRNA from the A-site to the P-site and also causing misreading of mRNA, leaving the bacterium unable to synthesize proteins vital to its growth. However, their exact mechanism of action is not fully known.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03616","Name":"Kabiramide C","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03617","Name":"Modified Acarbose Hexasaccharide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03618","Name":"2-(Acetylamino)-2-Deoxy-4-O-Beta-D-Galactopyranosyl-Alpha-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03619","Name":"Deoxycholic Acid","DrugType":"small molecule","HalfLife":"","Description":"A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent. [PubChem]","Classification":{"Description":"This compound belongs to the dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.","DirectParent":"Dihydroxy Bile Acids, Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00317","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00315","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00318","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00035","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00316","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00314","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00720","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]}]},{"ID":"DB03621","Name":"L-709,587","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.","DirectParent":"Macrolide Lactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolide Lactams","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03622","Name":"2-Hydroxy-5-[4-(2-Hydroxy-Ethyl)-Piperidin-1-Yl]-5-Phenyl-1h-Pyrimidine-4,6-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.","DirectParent":"Barbituric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03623","Name":"9-(4-Hydroxyphenyl)-2,7-Phenanthroline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03624","Name":"7-(Carboxyamino)-8-Amino-Nonanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino fatty acids. These are fatty acids contaning an amine group.","DirectParent":"Amino Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Amino Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03625","Name":"5,10-Dideazatetrahydrofolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03626","Name":"5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles and derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03627","Name":"Adamantane","DrugType":"small molecule","HalfLife":"","Description":"A tricyclo bridged hydrocarbon. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03628","Name":"ISO24","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03629","Name":"Pyridoxal-5'-Phosphate-N-Oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, an hydroxyl group, a carbaldehyde group, and an hydroxymethyl group, respectively.","DirectParent":"Pyridoxals and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridine Carboxaldehydes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03630","Name":"2-Iodobenzylthio Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03631","Name":"3-(4-Hydroxy-3-Imino-6-Oxo-Cyclohexa-1,4-Dienyl)-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03632","Name":"Argifin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptoid-peptide hydrids. These are compounds containing a peptoid-peptide backbone, which consists alternating amino acid and n-substituted amino acids linked to each other by a peptide bond.","DirectParent":"Peptoid-Peptide Hydrids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03633","Name":"Lpc-Ether","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monoalk(en)ylglycerophosphocholines. These are compounds containing glycerophosphocholine moeity attached to an fatty acyl chain through an ether bon.","DirectParent":"Monoalk(en)ylglycerophosphocholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03634","Name":"1,3-Di(N-Propyloxy-a-Mannopyranosyl)-Carbomyl 5-Methyazido-Benzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03635","Name":"Ethanesulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03636","Name":"Glycinamid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03637","Name":"Guanidine-3-Propanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03638","Name":"Cytidyl-2'-5'-Phospho-Guanosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03639","Name":"1-Guanidinium-7-Aminoheptane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03640","Name":"Beta-Hydroxyaspartic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03641","Name":"2'-deoxyuridine 5'-alpha,beta-imido-diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03642","Name":"Benzofuran-2-Carboxylic Acid {(S)-3-Methyl-1-[3-Oxo-1-(Pyridin-2-Ylsulfonyl)Azepan-4-Ylcarbamoyl]Butyl}Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03643","Name":"CRA_1144","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03644","Name":"3-Hydroxyanthranilic Acid","DrugType":"small molecule","HalfLife":"","Description":"An oxidation product of tryptophan metabolism. It may be a free radical scavenger and a carcinogen. [PubChem]","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00063","Drugs":["DB00118","DB00142","DB00150","DB00160","DB01065","DB01592","DB02959","DB03644"]}]},{"ID":"DB03645","Name":"Phosphonoacetohydroxamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03646","Name":"1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycerol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle.","DirectParent":"Acyclic Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03647","Name":"3-[Isopropyl(4-Methylbenzoyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03648","Name":"2-{N'-[2-(5-Amino-1-Phenylcarbamoyl-Pentylcarbamoyl)-Hexyl]-Hydrazinomethyl}-Hexanoic Acid(5-Amino-1-Phenylcarbamoyl-Pentyl)-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03649","Name":"[{(5-Chloro-2-Pyridinyl)Amino} Methylene]-1,1-Bisphosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03650","Name":"(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03651","Name":"2,4,6-Trinitrophenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03652","Name":"L-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03653","Name":"5-{[Ethyl(Methyl)Amino]Methyl}-2-Methyl-5,6-Dihydropyrimidin-4-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03654","Name":"S,S-Propylthiocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic disulfides.","DirectParent":"Organic Disulfides","Kingdom":"Organic Compounds","SuperClass":"Organosulfur Compounds","Class":"Organic Disulfides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03655","Name":"Bcx-1812","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.","DirectParent":"Delta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03656","Name":"Tribenuron Methyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.","DirectParent":"Aminotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazines","SubClass":"Aminotriazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03657","Name":"1-Deoxy-1-Methoxycarbamido-Beta-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycoamino acids and derivatives. These are saccharides attached to a single amino acid by any kind of covalent bond. A glycosyl-amino-acid is a compound consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.","DirectParent":"Glycoamino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03658","Name":"2-{1-[2-Amino-2-(4-Hydroxy-Phenyl)-Acetylamino]-2-Oxo-Ethyl}-5,5-Dimethyl-Thiazolidine-4-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03659","Name":"Butylamine","DrugType":"small molecule","HalfLife":"","Description":"Butylamine is an organic compound, specifically, an amine. This colourless liquid is one of the four isomeric amines of butane, the others being sec-butylamine, tert-butylamine and isobutylamine. At standard temperature and pressure, n-butylamine is a liquid having the fishy, ammonia-like odor common to amines. The liquid acquires a yellow colour upon storage in air. It is soluble in all organic solvents. [Wikipedia]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"Oral rat LD\u003csub\u003e50\u003c/sub\u003e is 366 mg/kg.","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03660","Name":"Iodo-Phenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03661","Name":"Cysteinesulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"Beta-Sulfoalanine. An amino acid with a C-terminal sulfonic acid group which has been isolated from human hair oxidized with permanganate. It occurs normally in the outer part of the sheep\u0026#39;s fleece, where the wool is exposed to light and weather. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03662","Name":"Vitamin B6 Complexed with 2-Amino-Pentanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03663","Name":"1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03664","Name":"P1-(Adenosine-5'-P5-(Uridine-5')Pentaphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside polyphosphates. These are pyrimidine ribobucleotides with polyphosphate (with 4 or more phosphate) group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Polyphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03666","Name":"3'-Azido-3'-Deoxythymidine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.","DirectParent":"Pyrimidine Deoxyribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03667","Name":"Acetic Acid Salicyloyl-Amino-Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03668","Name":"1-(5'-Phospho-Beta-D-Ribofuranosyl)Barbituric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03669","Name":"4-Fluorophenethyl Alcohol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03670","Name":"2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03671","Name":"4-(3,12,14-Trihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One","DrugType":"small molecule","HalfLife":"","Description":"3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh. [PubChem]","Classification":{"Description":"This compound belongs to the cardenolides and derivatives. These are steroid lactones containing a furan-2-one moeity linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.","DirectParent":"Cardenolides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Lactones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03672","Name":"9-N-Phenylmethylamino-Tacrine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03673","Name":"Beta(2-Thienyl)Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03674","Name":"Methyl Mercury Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03675","Name":"2,3-Dihydroxy-Valerianic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03676","Name":"Cystein-S-Yl Cacodylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03677","Name":"N-Cyclohexyl-N'-Decylurea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03678","Name":"(6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03679","Name":"2-Hydroxy-Tryptophan","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03680","Name":"Tartronate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03681","Name":"Chloro Diiron-Oxo Moiety","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a transition metal.","DirectParent":"Transition Metal Chlorides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Salts","SubClass":"Transition Metal Chlorides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03682","Name":"Dibenzofuran-4,6-Dicarboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene connected by a furan ring.","DirectParent":"Dibenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Dibenzofurans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03683","Name":"2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03685","Name":"Uridine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"5\u0026#39;-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2\u0026#39;, 3\u0026#39; or 5\u0026#39; position. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00579","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00444","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00580","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00247","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00207","DB01972","DB02431","DB03685"]},{"ID":"SMP00254","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00798","DB01972","DB02431","DB03685"]},{"ID":"SMP00259","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01082","DB01972","DB02431","DB03685"]},{"ID":"SMP00729","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00446","DB01972","DB02431","DB03685"]},{"ID":"SMP00251","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00778","DB01972","DB02431","DB03685"]},{"ID":"SMP00253","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00479","DB01972","DB02431","DB03685"]},{"ID":"SMP00258","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00919","DB01972","DB02431","DB03685"]},{"ID":"SMP00295","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00256","DB01972","DB02431","DB03685"]},{"ID":"SMP00728","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01627","DB01972","DB02431","DB03685"]},{"ID":"SMP00262","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00453","DB01972","DB02431","DB03685"]},{"ID":"SMP00248","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01211","DB01972","DB02431","DB03685"]},{"ID":"SMP00255","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01172","DB01972","DB02431","DB03685"]},{"ID":"SMP00290","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00618","DB01972","DB02431","DB03685"]},{"ID":"SMP00292","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01017","DB01972","DB02431","DB03685"]},{"ID":"SMP00730","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01361","DB01972","DB02431","DB03685"]},{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00250","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00199","DB01972","DB02431","DB03685"]},{"ID":"SMP00252","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00976","DB01972","DB02431","DB03685"]},{"ID":"SMP00257","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00955","DB01972","DB02431","DB03685"]},{"ID":"SMP00294","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00759","DB01972","DB02431","DB03685"]},{"ID":"SMP00712","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00560","DB01972","DB02431","DB03685"]},{"ID":"SMP00714","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01421","DB01972","DB02431","DB03685"]},{"ID":"SMP00727","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00931","DB01972","DB02431","DB03685"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00249","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01190","DB01972","DB02431","DB03685"]},{"ID":"SMP00256","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00994","DB01972","DB02431","DB03685"]},{"ID":"SMP00291","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00254","DB01972","DB02431","DB03685"]},{"ID":"SMP00293","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00595","DB01972","DB02431","DB03685"]},{"ID":"SMP00711","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB00684","DB01972","DB02431","DB03685"]},{"ID":"SMP00713","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01972","DB02431","DB03685","DB06696"]},{"ID":"SMP00726","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01301","DB01972","DB02431","DB03685"]},{"ID":"SMP00731","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01321","DB01972","DB02431","DB03685"]},{"ID":"SMP00219","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00202","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]}]},{"ID":"DB03686","Name":"S-(P-Nitrobenzyl)Glutathione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03687","Name":"4-Diphosphocytidyl-2-C-Methyl-D-Erythritol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03688","Name":"3-Hydroxy-Propanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03690","Name":"(Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium-4-Oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.","DirectParent":"Phosphatidylcholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03691","Name":"WRR-112","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03692","Name":"1-Hexadecanosulfonyl-O-L-Serine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03693","Name":"N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03694","Name":"N-Phenylthiourea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03695","Name":"6-(2,5-Dimethoxy-Benzyl)-5-Methyl-Pyrido[2,3-D]Pyrimidine-2,4-Diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03696","Name":"Lanosterol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03697","Name":"4-Sulfonamide-[1-(4-Aminobutane)]Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03698","Name":"5-Mercaptoethanol-2-Decenoyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03699","Name":"Succinyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03700","Name":"D-Threonine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03701","Name":"Vanoxerine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03702","Name":"2-[4-[[(S)-1-[[(S)-2-[[(Rs)-3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl]Aminocarbonyl]Pyrrolidin-1-Yl-]Carbonyl]-2-Methylpropyl]Aminocarbonyl]Benzoylamino]Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03703","Name":"Cyclohexanol","DrugType":"small molecule","HalfLife":"","Description":"Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers. [PubChem]","Classification":{"Description":"This compound belongs to the cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.","DirectParent":"Cyclohexanols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03704","Name":"12-Hydroxydodecanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","DirectParent":"Fatty Alcohols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Alcohols","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03705","Name":"6-Methylamino-5-Nitroisocytosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03706","Name":"1-Hydroxy-2-S-Glutathionyl-3-Para-Nitrophenoxy-Propane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03707","Name":"S-Ethyl-N-Phenyl-Isothiourea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03708","Name":"Adenosine-5'-Phosphosulfate","DrugType":"small molecule","HalfLife":"","Description":"5\u0026#39;-Adenylic acid, monoanhydride with sulfuric acid. The initial compound formed by the action of ATP sulfurylase on sulfate ions after sulfate uptake. Synonyms: adenosine sulfatophosphate; APS. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03709","Name":"Bicine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03710","Name":"N5-(1-Imino-3-Butenyl)-L-Ornithine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03711","Name":"6-Hydroxy-6-Methyl-Heptan-3-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).","DirectParent":"Tertiary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Tertiary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03712","Name":"RU85053","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03714","Name":"4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03715","Name":"Pentadecane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03716","Name":"5'-Fluoro-5'-Deoxyadenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03717","Name":"3-Hydroxy-4-(3,4,5-Trihydroxy-Tetrahydro-Pyran-2-Yloxy)-Piperidin-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03718","Name":"6-Aza-Ump","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03719","Name":"N-Ethyl-5'-Carboxamido Adenosine","DrugType":"small molecule","HalfLife":"","Description":"A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity. [PubChem]","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03720","Name":"Z-Dehydrobutyrine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03721","Name":"O-Sialic Acid","DrugType":"small molecule","HalfLife":"","Description":"An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518)","Classification":{"Description":"This compound belongs to the neuraminic acid derivatives. These are compounds containingor dervivated from a neuraminic acid moeity (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid), which is a 9-carbon monosaccharide.","DirectParent":"Neuraminic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03722","Name":"3,4-Dihydro-5-Methyl-Isoquinolinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03723","Name":"2'-Deoxy-Thymidine-Beta-L-Rhamnose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03724","Name":"(1s,2s)-1-Amino-1-(1,3-Thiazol-2-Yl)Propan-2-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.","DirectParent":"Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03725","Name":"Phosphomethylphosphonic Acid-Guanylate Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03726","Name":"Purine Riboside-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03727","Name":"Coproporphyrin I","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03728","Name":"4-Chlorobenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03729","Name":"2-Amino-5-Hydroxy-Benzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03730","Name":"3,9-Dimethyladenine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03731","Name":"S-2-(Boronoethyl)-L-Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03732","Name":"Etheno-Nadp","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03733","Name":"Ethylene Dichloride","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03734","Name":"Xylarohydroxamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetroses. These are tetrasaccharides whose saccharide units are all hexoses.","DirectParent":"Tetroses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03735","Name":"9-(2-Deoxy-Beta-D-Ribofuranosyl)-6-Methylpurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03736","Name":"2-Cyclopropylmethylenepropanal","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03737","Name":"4-((3r,4s,5r)-4-Amino-3,5-Dihydroxy-Hex-1-Ynyl)-5-Fluoro-3-[1-(3-Methoxy-1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03738","Name":"Pantothenoylaminoethenethiol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03739","Name":"3-Hydroxyimino Quinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms.","DirectParent":"Cyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03740","Name":"2-(Acetylamino)-2-Deoxy-a-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"The N-acetyl derivative of glucosamine. [PubChem]","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03741","Name":"2-Methylbutanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03742","Name":"Compound 4-D","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03744","Name":"Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03745","Name":"Arabinose-5-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03746","Name":"3-Amino-4,5-Dihydroxy-Cyclohex-1-Enecarboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitols and derivatives. These are cyclitols with at least one hydroxyl group replace by an amino group.","DirectParent":"Aminocyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03747","Name":"3ar,5r,6s,7r,7ar-5-Hydroxymethyl-2-Methyl-5,6,7,7a-Tetrahydro-3ah-Pyrano[3,2-D]Thiazole-6,7-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03748","Name":"Methyl-[4-(4-Piperidine-1-Ylmethyl-Phenyl)-Cyclohexyl]-Carbaminic Acid-(4-Chlorophenyl)-Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03749","Name":"4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03750","Name":"Isovaleric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03751","Name":"2'deoxy-Thymidine-5'-Diphospho-Alpha-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03752","Name":"P-(2'-Iodo-5'-Thenoyl)Hydrotropic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03753","Name":"Flurbiprofen Methyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03754","Name":"Tris(Hydroxymethyl)Aminomethane","DrugType":"small molecule","HalfLife":"","Description":"An organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer. (From Merck, 11th ed; Martindale, The Extra Pharmacopoeia, 30th ed, p1424)","Classification":{"Description":"This compound belongs to the polyols. These are organic compounds containing more than one hydroxyl groups.","DirectParent":"Polyols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Polyols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03755","Name":"Adenosine-5'-[Beta, Gamma-Methylene]Tetraphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03756","Name":"Docosa-4,7,10,13,16,19-Hexaenoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03757","Name":"(Tert-Butyloxycarbonyl)-Alanyl-Alanyl-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03758","Name":"Radicicol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03759","Name":"Dnqx","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.","DirectParent":"Quinoxalines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinoxalines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03760","Name":"Dihydrolipoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.","DirectParent":"Thia Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Thia Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03761","Name":"5-Fluoro-2'-Deoxyuridine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03763","Name":"5-Methyl-2'-Deoxypseudouridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03764","Name":"4-Hydroperoxy-2-Methoxy-Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxyphenols and derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.","DirectParent":"Methoxyphenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03765","Name":"Cytidine-2'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03766","Name":"Propanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00464","Drugs":["DB01022","DB03766"]},{"ID":"SMP00201","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00016","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00198","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00502","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]}]},{"ID":"DB03767","Name":"Morpholine-4-Carboxylic Acid [1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl]Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03768","Name":"N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.","DirectParent":"Macrolactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolactams","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03769","Name":"D-Eritadenine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03770","Name":"N-Hydroxyguanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03771","Name":"Allyl-{4-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-but-2-Enyl}-Methyl-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzofurans.","DirectParent":"Phenylbenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Phenylbenzofurans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03772","Name":"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,5-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03773","Name":"6-Deoxy-Alpha-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03774","Name":"Glutamyl Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03775","Name":"D-Dethiobiotin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the heterocyclic fatty acids. These are fatty acids containing an heterocyclic attached to the acyl chain.","DirectParent":"Heterocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Heterocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03776","Name":"Lactaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03777","Name":"Rbt205 Inhibitor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03779","Name":"Glucosaminyl-(Alpha-6)-D-Myo-Inositol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03780","Name":"2-Aminoquinazolin-4(3h)-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03781","Name":"2-[4-(2,4-Dichlorophenoxy)Phenoxy]Propanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03782","Name":"N-(1-Adamantyl)-N'-(4-Guanidinobenzyl)Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03783","Name":"Phenacetin","DrugType":"small molecule","HalfLife":"","Description":"Phenacetin was withdrawn from the Canadian market in June 1973 due to concerns regarding nephropathy (damage to or disease of the kidney).","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"Used principally as an analgesic.","Toxicity":"Acute oral toxicity (LD50): 866 mg/kg [Mouse].","MechanismOfAction":"Phenacetin's analgesic effects are due to its actions on the sensory tracts of the spinal cord. In addition, phenacetin has a depressant action on the heart, where it acts as a negative inotrope. It is an antipyretic, acting on the brain to decrease the temperature set point. It is also used to treat rheumatoid arthritis (subacute type) and intercostal neuralgia. [Wikipedia]","Pharmacodynamics":"Phenacetin was the first NSAID and fever reducer to go on the market. Its analgesic effects are due to its actions on the sensory tracts of the spinal cord. In addition, phenacetin has a depressant action of the heart, where it acts as a negative inotrope. It is an antipyretic, acting on the brain to decrease the temperature set point. It is also used to treat rheumatoid arthritis (subacute type), intercostal neuralgia, and some forms of ataxia. [Wikipedia]","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB03784","Name":"Elaidoylamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03785","Name":"(3r,5r)-7-((1r,2r,6s,8r,8as)-2,6-Dimethyl-8-{[(2r)-2-Methylbutanoyl]Oxy}-1,2,6,7,8,8a-Hexahydronaphthalen-1-Yl)-3,5-Dihydroxyheptanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbocyclic fatty acids. These are fatty acids contaning a carbocylic ring .","DirectParent":"Carbocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Carbocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03787","Name":"L-Pyridoxyl-N,O-Cycloserylamide-5-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxazolidinones. These are compounds containing an oxatriazolidinone moiety, which is an oxatriazolidine bearing a ketone group.","DirectParent":"Oxazolidinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Oxazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03788","Name":"GC-24","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.","DirectParent":"Linear Diarylheptanoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Diarylheptanoids","SubClass":"Linear Diarylheptanoids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03789","Name":"2,3-Dimethylimidazolium Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.","DirectParent":"N-substituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03790","Name":"S-Dioxymethionine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03791","Name":"(3-{3-[[2-Chloro-3-(Trifluoromethyl)Benzyl](2,2-Diphenylethyl)Amino]Propoxy}Phenyl)Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03792","Name":"5-Amino-1h-Pyrimidine-2,4-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03793","Name":"Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. [PubChem]","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03794","Name":"Trifluoroalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03795","Name":"2-Dehydropantoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03796","Name":"Palmitic Acid","DrugType":"small molecule","HalfLife":"","Description":"A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. [PubChem]","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"Acute oral toxicity (LD\u003csub\u003e50\u003c/sub\u003e) in rat is \u0026gt;10000 mg/kg","MechanismOfAction":"","Pharmacodynamics":"Palmitic acid is the first fatty acid produced during lipogenesis (fatty acid synthesis) and from which longer fatty acids can be produced. Palmitate negatively feeds back on acetyl-CoA carboxylase (ACC) which is responsible for converting acetyl-ACP to malonyl-ACP on the growing acyl chain, thus preventing further palmitate generation","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03797","Name":"3-Aminomethyl-Pyridinium-Adenine-Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03798","Name":"2'-Deoxycytidine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"Deoxycytidine (dihydrogen phosphate). A deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2\u0026#39;-,3\u0026#39;- or 5- positions. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03799","Name":"Trifluoromethionine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03800","Name":"2'-deoxyuridylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03801","Name":"Lysine Nz-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03802","Name":"1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03803","Name":"Inhibitor Msa367","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03804","Name":"5-Bromothienyldeoxyuridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03805","Name":"Antiproliferative Agent A771726","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03807","Name":"1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03808","Name":"4,4'[1,6-Hexanediylbis(Oxy)]Bisbenzenecarboximidamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03809","Name":"9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03810","Name":"(3r)-3-Methyl-L-Glutamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03811","Name":"Histidinol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03812","Name":"3-{2,6,8-Trioxo-9-[(2s,3r,4r)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Propyl Dihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03813","Name":"2-Decenoyl N-Acetyl Cysteamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thioesters. These are compounds containing the ester derivative of thiocarboxylic acid,with the general structure R-S-CO-R' (R,R'=alkyl,aryl).","DirectParent":"Thioesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03814","Name":"2-(N-Morpholino)-Ethanesulfonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.","DirectParent":"Morpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03815","Name":"Fucitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03816","Name":"Difluoromethionine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03817","Name":"2,4-Diaminobutyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03818","Name":"N-[Tosyl-D-Prolinyl]Amino-Ethanethiol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03819","Name":"Salicylhydroxamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03820","Name":"(2s,5r,6r)-6-{[(6r)-6-(Glycylamino)-7-Oxido-7-Oxoheptanoyl]Amino}-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03821","Name":"2-Amino-3-Hydroxy-3-Phosphonooxy-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03822","Name":"Ethyl Dihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03823","Name":"Epigallocatechin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the epigallocatechins. These are compounds containing epigallacatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moeity.","DirectParent":"Epigallocatechins","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03824","Name":"7-Iodo-1,2,3,4-Tetrahydro-Isoquinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03825","Name":"Rhodamine 6g","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the neoflavonoids. These are compounds whose structure is based on the 4-phenylchromen backbone.","DirectParent":"Neoflavonoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Neoflavonoids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03826","Name":"5,6-Diaminouracil","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03827","Name":"(3s)-3,4-Di-N-Hexanoyloxybutyl-1-Phosphocholine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty acid esters. These are carboxylic ester derivatives of a fatty acid.","DirectParent":"Fatty Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acid Esters","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03828","Name":"RU78299","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoyl derivatives. These are organic compounds containing an acyl moeity of benzoic acid with the formula (C6H5CO-).","DirectParent":"Benzoyl Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoyl Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03829","Name":"Pseudouridine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03830","Name":"Phosphorylated Dihydropteroate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03831","Name":"1-Monooleoyl-Rac-Glycerol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03832","Name":"3-Carboxy-N,N,N-Trimethyl-2-(Octanoyloxy)Propan-1-Aminium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.","DirectParent":"Cholines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Cholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03833","Name":"2-Prolyl-5-Tert-Butyl-[1,3,4]Oxadiazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolidine carboxylic acids and derivatives. These are compounds containing a pyrrolidine ring which bears a carboxylic acid or a derivative thereof.","DirectParent":"Pyrrolidine Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Pyrrolidine Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03834","Name":"Tazobactam Intermediate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03835","Name":"N-(8,9,10-Trihydroxy-7-Hydroxymethyl-2,4-Dioxo-6-Oxa-1,3-Diaza-Spiro[4.5]Dec-3-Yl-Acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03836","Name":"1,3,5-Trichloro-Benzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03837","Name":"Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03839","Name":"D-Tyrosine","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03840","Name":"Tetra(Imidazole)Diaquacopper (Ii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.","DirectParent":"N-substituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03841","Name":"Y-700","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03842","Name":"2-Chloro-6-Methyl-Aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03843","Name":"Formaldehyde","DrugType":"small molecule","HalfLife":"","Description":"A highly reactive aldehyde gas formed by oxidation or incomplete combustion of hydrocarbons. In solution, it has a wide range of uses: in the manufacture of resins and textiles, as a disinfectant, and as a laboratory fixative or preservative. Formaldehyde solution (formalin) is considered a hazardous compound, and its vapor toxic. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p717)","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"Acute oral toxicity (LD50): 42 mg/kg [Mouse].\r\n","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03844","Name":"N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03845","Name":"P1-(5'-Adenosyl)P5-(5'-(3'azido-3'-Deoxythymidyl))Pentaphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2',3'-dideoxyribonucleoside polyphosphates. These are pyrimidine nucleotides with polyphosphate (with 4 or more phosphate) group linked to the ribose moiety lacking an hydroxyl group at positions 2 and 3.","DirectParent":"Pyrimidine 2',3'-dideoxyribonucleoside Polyphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03846","Name":"5-Hydroxymethyluridine-2'-Deoxy-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03847","Name":"Gamma-Carboxy-Glutamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03848","Name":"Benzenesulfonyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03849","Name":"Cis-4-Cyano-4-[3-(Cyclopentyloxy)-4-Methoxyphenyl]Cyclohexanecarboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.","DirectParent":"Benzyl Cyanides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyl Cyanides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03850","Name":"Jaspisamide A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03851","Name":"Carbazole Butanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03852","Name":"Eucalyptol","DrugType":"small molecule","HalfLife":"","Description":"Eucalyptol is a natural organic compound which is a colorless liquid. It is a cyclic ether and a monoterpenoid. Eucalyptol is an ingredient in many brands of mouthwash and cough suppressant. It controls airway mucus hypersecretion and asthma via anti-inflammatory cytokine inhibition. Eucalyptol is an effective treatment for nonpurulent rhinosinusitis. Eucalyptol reduces inflammation and pain when applied topically. It kills leukaemia cells in vitro.","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"Oral, rat LD50: 2480 mg/kg ","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB03853","Name":"Azo-Dye Hapten","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03854","Name":"Pentane-1,5-Diamine","DrugType":"small molecule","HalfLife":"","Description":"A foul-smelling diamine formed by bacterial decarboxylation of lysine. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03855","Name":"L-Threonohydroxamate 4-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03856","Name":"Alpha-Difluoromethylornithine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03857","Name":"1,4-Deoxy-1,4-Dithio-Beta-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03858","Name":"S-Acetonylcysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03859","Name":"1-Thio-Beta-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03860","Name":"N-Butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6h-Cyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03861","Name":"(2r,3r,4s,5r)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopiperidines.","DirectParent":"Aminopiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Aminopiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03862","Name":"Tetrahydrooxazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1,2-oxazinanes. These are compounds containing an oxazinane ring with the nitrogen atom and the oxygen atom at positions 1 and 2, respectively.","DirectParent":"1,2-Oxazinanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"1,2-Oxazinanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03863","Name":"2-O-Methyl Fucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03864","Name":"Monothioglycerol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03865","Name":"6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03866","Name":"Prostaglandin G2","DrugType":"small molecule","HalfLife":"","Description":"A cyclic endoperoxide intermediate produced by the action of CYCLOOXYGENASE on ARACHIDONIC ACID. It is further converted by a series of specific enzymes to the series 2 prostaglandins. [PubChem]","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03867","Name":"Meta-Nitro-Tyrosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03868","Name":"3-Dehydroquinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms.","DirectParent":"Cyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03869","Name":"5'-O-(N-(L-Seryl)-Sulfamoyl)Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03870","Name":"Ara-Alpha(1,3)-Xyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the mixed pentose/hexose disaccharides. These are disaccharides containing both an hexose and a pentose.","DirectParent":"Mixed Pentose/Hexose Disaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03871","Name":"Lambda-Bis(2,2'-Bipyridine)Imidazole Ruthenium (Ii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03872","Name":"2,3-Dideoxyfucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03873","Name":"N-(5,5,8,8-Tetramethyl-5,8-Dihydro-Naphthalen-2-Yl)-Terephthalamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03874","Name":"(4e,8e,12z,16z)-N,N,4,8,13,17,21-Heptamethyldocosa-4,8,12,16,20-Pentaen-1-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesterterpenes. These are terpenes compsed of five consecutive isoprene units.","DirectParent":"Sesterterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesterterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03875","Name":"Delta-Bis(2,2'-Bipyridine)-(5-Methyl-2-2'-Bipyridine)-C9-Adamantane Ruthenium (Ii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03876","Name":"Thieno[2,3-B]Pyridine-2-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.","DirectParent":"Thienopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03877","Name":"AL4623","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienothiazines. These are heterocyclic compounds containing a thiophene ring fused to a thiazine.","DirectParent":"Thienothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienothiazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03878","Name":"N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.","DirectParent":"Pyridinylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03879","Name":"Alpha-L-Methyl-Fucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03880","Name":"Batimastat","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"An anticancer drug that belongs to the family of drugs called angiogenesis inhibitors. Batimastat is a matrix metalloproteinase inhibitor.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03881","Name":"MT-Immucillin-H","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03882","Name":"5-Alpha-Androstane-3-Beta,17beta-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03883","Name":"Carboxyethyllumazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.","DirectParent":"Pteridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03884","Name":"3-Phenylpyruvic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.","DirectParent":"Phenylpyruvic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpyruvic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03885","Name":"1-Menaphthyl Glutathione Conjugate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03886","Name":"Biopterin","DrugType":"small molecule","HalfLife":"","Description":"A natural product that has been considered as a growth factor for some insects. [PubChem]","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03887","Name":"Alpha-Adenosine Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03888","Name":"Allyl-{6-[3-(4-Bromo-Phenyl)-1-Methyl-1h-Indazol-6-Yl]Oxy}Hexyl)-N-Methylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03889","Name":"S-(N-Hydroxy-N-Bromophenylcarbamoyl)Glutathione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03890","Name":"N-[2-(1-Formyl-2-Methyl-Propyl)-1-(4-Piperidin-1-Yl-but-2-Enoyl)-Pyrrolidin-3-Yl]-Methanesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03891","Name":"1,5-Bis(N-Benzyloxycarbonyl-L-Leucinyl)Carbohydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03892","Name":"5-N-Allyl-Arginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03893","Name":"Thionicotinamide-Adenine-Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03894","Name":"N-Propargyl-1(S)-Aminoindan","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.","DirectParent":"Indanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03895","Name":"Malachite Green","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03896","Name":"Triphospate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the non-metal pyrophosphates. These are inorganic non-metallic compoundscontaining a pyrophosphate as its largest oxoanion.","DirectParent":"Non-metal Pyrophosphates","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Non-metal Oxoanionic Compounds","SubClass":"Non-metal Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03897","Name":"Hydroxyphenyl Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03898","Name":"3-Chloro-4-Hydroxyphenylglycine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03899","Name":"9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03900","Name":"2-Methyl-2-Propanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).","DirectParent":"Tertiary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Tertiary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03901","Name":"5-Oxo-Pyrrolidine-2-Carbaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolidones. These are compounds containing a pyrrolidine ring which bears a ketone.","DirectParent":"Pyrrolidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Pyrrolidones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03902","Name":"Oxalic Acid","DrugType":"small molecule","HalfLife":"","Description":"A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent. [PubChem]","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03903","Name":"Tmr","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the neoflavenes. These are neoflavonoids whose structure is based on a 4-phenylchromene skeleton.","DirectParent":"Neoflavenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Neoflavonoids","SubClass":"Neoflavenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03904","Name":"Urea","DrugType":"small molecule","HalfLife":"","Description":"A compound formed in the liver from ammonia produced by the deamination of amino acids. It is the principal end product of protein catabolism and constitutes about one half of the total urinary solids. [PubChem]","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"\u003cul\u003e\r\n\u003cli\u003e10% hydrate skin\u003c/li\u003e\r\n\u003cli\u003e15% accelerate fibrin degradation\u003c/li\u003e\r\n\u003cli\u003e20-30% are antipruritic, break down keratin, decrease the thickness of the stratum corneum and are used in scaling conditions such as ichthysosis\u003c/li\u003e\r\n\u003cli\u003e40% are proteolytic and may be used to dissolve and peel dystrophic nails\u003c/li\u003e\r\n\u003c/ul\u003e\r\n\u003cbr\u003e[Patient Self Care, 2010]\u003c/br\u003e","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"As a humectant, urea draws water into the striatum corneum.","Absorption":"","Interactions":[{"ID":"DB00374"}],"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00036","Drugs":["DB03904"]},{"ID":"SMP00088","Drugs":["DB00151","DB00887","DB01345","DB03904"]},{"ID":"SMP00091","Drugs":["DB00151","DB01325","DB01345","DB03904"]},{"ID":"SMP00108","Drugs":["DB00151","DB00774","DB01345","DB03904"]},{"ID":"SMP00133","Drugs":["DB00151","DB00594","DB01345","DB03904"]},{"ID":"SMP00081","Drugs":["DB00151","DB00232","DB01345","DB03904"]},{"ID":"SMP00105","Drugs":["DB00151","DB00524","DB01345","DB03904"]},{"ID":"SMP00121","Drugs":["DB00151","DB01021","DB01345","DB03904"]},{"ID":"SMP00132","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00193","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00097","Drugs":["DB00151","DB00903","DB01345","DB03904"]},{"ID":"SMP00110","Drugs":["DB00151","DB00808","DB01345","DB03904"]},{"ID":"SMP00134","Drugs":["DB00151","DB00421","DB01345","DB03904"]},{"ID":"SMP00090","Drugs":["DB00151","DB00436","DB01345","DB03904"]},{"ID":"SMP00184","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00080","Drugs":["DB00151","DB01324","DB01345","DB03904"]},{"ID":"SMP00103","Drugs":["DB00151","DB00606","DB01345","DB03904"]},{"ID":"SMP00118","Drugs":["DB00151","DB00214","DB01345","DB03904"]},{"ID":"SMP00122","Drugs":["DB00151","DB00310","DB01345","DB03904"]},{"ID":"SMP00189","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00197","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00583","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00585","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00483","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00078","Drugs":["DB00151","DB00880","DB01345","DB03904"]},{"ID":"SMP00100","Drugs":["DB00151","DB00999","DB01345","DB03904"]},{"ID":"SMP00115","Drugs":["DB00151","DB00695","DB01345","DB03904"]},{"ID":"SMP00135","Drugs":["DB00151","DB00700","DB01345","DB03904"]},{"ID":"SMP00245","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00723","Drugs":["DB00151","DB01345","DB03904"]},{"ID":"SMP00357","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00505","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00208","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00361","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00504","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00188","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00002","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00003","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00506","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00207","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00059","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00360","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00205","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00020","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00001","Drugs":["DB00119","DB00128","DB00129","DB00130","DB00142","DB00155","DB00160","DB01373","DB01677","DB03904"]},{"ID":"SMP00362","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00507","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]},{"ID":"SMP00363","Drugs":["DB00118","DB00128","DB00129","DB00139","DB00142","DB00145","DB00148","DB00155","DB00172","DB01677","DB03247","DB03904"]}]},{"ID":"DB03905","Name":"Succinamide-Coa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03906","Name":"2-Phenylheme","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03907","Name":"N-{3-[5-(6-Amino-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydro-Furan-2-Yl]-Allyl}-2,3-Dihydroxy-5-Nitro-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03908","Name":"Inhibitor Bea322","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03909","Name":"Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03910","Name":"S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03911","Name":"L-Xylopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03912","Name":"4'-Phosphopantetheine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03913","Name":"Coenzyme F420","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03914","Name":"[2-(1-Amino-2-Hydroxy-Propyl)-4-(1h-Indol-3-Ylmethylene)-5-Oxo-4,5-Dihydro-Imidazol-1-Yl]-Acetaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03915","Name":"2-Amino-3-Ketobutyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03916","Name":"4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.","DirectParent":"Pyridinylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Pyridinylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03917","Name":"N-Ethyl Retinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03918","Name":"6s-5,6,7,8-Tetrahydrobiopterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03919","Name":"Ethyl-Carbamic Acid Methyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbamic acids and derivatives. These are compounds comprising the carbamic acid functional group or a derivative thereof.","DirectParent":"Carbamic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03920","Name":"N-Methyl-Alpha-Beta-Dehydroalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03921","Name":"4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.","DirectParent":"Quinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03923","Name":"Feruloyl Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03924","Name":"5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring.","DirectParent":"Anthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03925","Name":"ONO-6818","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Investigated for use/treatment in chronic obstructive pulmonary disease (COPD).","Toxicity":"","MechanismOfAction":"ONO-6818 inhibits neutrophil elastase activity, reducing interleukin 8 production and the formation of the complement membrane attack complex. Consequently, neutrophil elastase levels are reduced during stimulated extracorporeal circulation.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB03926","Name":"5-Alpha-Androstane-3-Beta,17-Alpha-Diol","DrugType":"small molecule","HalfLife":"","Description":"The unspecified form of the steroid, normally a major metabolite of TESTOSTERONE with androgenic activity. It has been implicated as a regulator of gonadotropin secretion. [PubChem]","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03927","Name":"Glycyl-L-Alpha-Amino-Epsilon-Pimelyl-D-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03928","Name":"Carboxymethylthio-3-(3-Chlorophenyl)-1,2,4-Oxadiazol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03929","Name":"D-Serine","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03930","Name":"4-Methyl-Pyrroline-5-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03931","Name":"Diguanosine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03932","Name":"LFA703","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03933","Name":"C-1027 Aromatized Chromophore","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03934","Name":"Protoporphyrin Ix Containing Zn","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03935","Name":"1,4-Dideoxy-O2-Sulfo-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyran carboxylic acids. These are compounds containing a pyran ring which bears a carboxylic acid group.","DirectParent":"Pyran Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyran Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03936","Name":"1-Deoxy-Ribofuranose-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03937","Name":"Erythose-4-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03938","Name":"Deacetoxycephalosporin-C","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03939","Name":"4-Hydroxy-3,4-Dihydro-1h-Pyrimidin-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03940","Name":"Oxamic Acid","DrugType":"small molecule","HalfLife":"","Description":"Amino-substituted glyoxylic acid derivative. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03941","Name":"Heptanyl-P-Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03942","Name":"Carboxylic PRPP","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03943","Name":"D-Asparagine","DrugType":"small molecule","HalfLife":"","Description":"A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed)","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03944","Name":"5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.","DirectParent":"Hydroquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03945","Name":"Phosphocholine","DrugType":"small molecule","HalfLife":"","Description":"Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction. [PubChem]","Classification":{"Description":"This compound belongs to the phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative.","DirectParent":"Phosphocholines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Cholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03946","Name":"3,4-Dihydroxybenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03947","Name":"D-Xylulose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.","DirectParent":"Pentoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03948","Name":"6-Chloropurine Riboside, 5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03949","Name":"(2-Sulfanyl-3-Phenylpropanoyl)-Phe-Tyr","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03950","Name":"(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03951","Name":"16g","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03952","Name":"9-(6-Deoxy-Beta-D-Allofuranosyl)-6-Methylpurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03953","Name":"L-Thiocitrulline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03955","Name":"1,5-Dideoxy-1,5-Imino-D-Mannitol","DrugType":"small molecule","HalfLife":"","Description":"An alpha-glucosidase inhibitor with antiviral action. Derivatives of deoxynojirimycin may have anti-HIV activity. [PubChem]","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03956","Name":"D-Myo-Inositol-2,4,5-Trisphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03957","Name":"SP2456","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03958","Name":"7-methyl-guanosine-5'-triphosphate-5'-guanosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03959","Name":"N,O6-Disulfo-Glucosamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03960","Name":"Cp-Coeleneterazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tyrosols and derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.","DirectParent":"Tyrosols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03961","Name":"2c-Methyl-D-Erythritol 2,4-Cyclodiphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03962","Name":"Nicotinamide 8-Bromo-Adenine Dinucleotide Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03963","Name":"S-(Dimethylarsenic)Cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03964","Name":"4-Hydroxy-Aconitate Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03966","Name":"Clorobiocin","DrugType":"small molecule","HalfLife":"","Description":"Clorobiocin is an aminocoumarin antibiotic, similar to novobiocin and coumermycin A1.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03967","Name":"Dodecyl Sulfate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group.","DirectParent":"Sulfuric Acid Monoesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Sulfuric Acids and Derivatives","SubClass":"Sulfuric Acid Monoesters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03968","Name":"1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolidones. These are compounds containing a pyrrolidine ring which bears a ketone.","DirectParent":"Pyrrolidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Pyrrolidones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03969","Name":"3-Acetyl Pyridine Adenine Dinucleotide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03970","Name":"(6,7-Dihydro-5h-Cyclopenta[D]Imidazo[2,1-B]Thiazol-2-Yl]-4,7-Dihydro[1,4]Thiazepine-3,6-Dicarboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03971","Name":"Acarbose Derived Hexasaccharide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03972","Name":"2-Amino-4h-1,3-Benzoxathiin-4-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with formula R-O-R' , where R is an alkyl group and R' is an aryl group.","DirectParent":"Alkyl Aryl Ethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Alkyl Aryl Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03973","Name":"3-{2,6,8-Trioxo-9-[(2r,3r,4r)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Propyl Dihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03974","Name":"L-Homoarginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03975","Name":"Mercuribenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03976","Name":"Phosphorylisopropane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03977","Name":"N-Trimethyllysine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03978","Name":"Tyrosinal","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03979","Name":"1-[Glycerolylphosphonyl]-2-[8-(2-Hexyl-Cyclopropyl)-Octanal-1-Yl]-3-[Hexadecanal-1-Yl]-Glycerol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylglycerols. These are glycerophosphoglycerols in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages.","DirectParent":"Phosphatidylglycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoglycerols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03980","Name":"4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03981","Name":"1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyran carboxylic acids and derivatives. These are compounds containing a pyran ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Pyran Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyran Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03982","Name":"Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03983","Name":"(Molybdopterin-S,S)-Dioxo-Thio-Molybdenum(V)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranopterins and derivatives. These are pterin derivatives in which a pyran ring is fused either to the pyrimidine ring or the pyrazine ring of the pterin moiety.","DirectParent":"Pyranopterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03984","Name":"Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03985","Name":"R-azabisabolene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03986","Name":"6-Methyl-Formycin A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidine nucleosides and nucleotides. These are nucleoside or nucleotide analogues containing a pyrazolopyrimidine moiety is linked to a ribose (or ribose derivative).","DirectParent":"Pyrazolopyrimidine Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03987","Name":"2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03988","Name":"2,6-Diamino-Hexanoic Acid Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03989","Name":"D-Allopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03990","Name":"4'-Nitrophenyl-3i-Thiolaminaritrioside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trihexoses. These are trisaccharides containing three hexose carbohydrates.","DirectParent":"Trihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Trisaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03991","Name":"2-Deoxy-2,3-Dehydro-N-Acetyl-Neuraminic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.","DirectParent":"Pyranoid Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03992","Name":"3-(Benzoylamino)-L-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03993","Name":"4-Methyl Valeric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03994","Name":"Ethanolamine","DrugType":"small molecule","HalfLife":"","Description":"A viscous, hygroscopic amino alcohol with an ammoniacal odor. It is widely distributed in biological tissue and is a component of lecithin. It is used as a surfactant, fluorimetric reagent, and to remove CO2 and H2S from natural gas and other gases. [PubChem]","Classification":{"Description":"This compound belongs to the 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.","DirectParent":"1,2-Aminoalcohols","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Alkanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00025","Drugs":["DB01373","DB03994","DB04326"]}]},{"ID":"DB03995","Name":"Cyclo-Hepta-Amylose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03996","Name":"3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03997","Name":"Phosphoric Acid Mono-[2-Amino-3-(3h-Imidazol-4-Yl)-Propyl]Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03998","Name":"[2-(Methyleneamine)-4-(4-Hydroxy-Benzylidine)-5-Oxo-4,5-Dihydro-Imidazol-1-Yl]-Acetaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB03999","Name":"Butylphosphonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04000","Name":"Bromo-Willardiine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04001","Name":"6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.","DirectParent":"Indolecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04002","Name":"4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04003","Name":"(4-{2-Acetylamino-2-[1-(3-Carbamoyl-4-Cyclohexylmethoxy-Phenyl)-Ethylcarbamoyl}-Ethyl}-2-Phosphono-Phenoxy)-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04004","Name":"2,6-Diamino-8-(2-Dimethylaminoethylsulfanylmethyl)-3h-Quinazolin-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04005","Name":"Uridine 5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"Uridine 5\u0026#39;-(tetrahydrogen triphosphate). A uracil nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04006","Name":"[2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04007","Name":"Bromo-WR99210","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04008","Name":"Bis(5-Amidino-Benzimidazolyl)Methane Zinc","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04009","Name":"Dimethyl Propionate Ester Heme","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04010","Name":"2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04011","Name":"2'-(4-Dimethylaminophenyl)-5-(4-Methyl-1-Piperazinyl)-2,5'-Bi-Benzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04012","Name":"(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Leucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04013","Name":"1-Deoxy-1-Methoxycarbamido-Beta-D-Gluco-2-Heptulopyranosonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycoamino acids and derivatives. These are saccharides attached to a single amino acid by any kind of covalent bond. A glycosyl-amino-acid is a compound consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.","DirectParent":"Glycoamino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04014","Name":"Alsterpaullone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04015","Name":"Methionine Phosphinate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04016","Name":"2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04017","Name":"N-Methyl-N-Propargyl-3-(2,4-Dichlorophenoxy)Propylamine","DrugType":"small molecule","HalfLife":"","Description":"An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE. [PubChem]","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04018","Name":"S-Isopropyl-Isothiourea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04020","Name":"4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04021","Name":"MF268","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.","DirectParent":"Morpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04022","Name":"Guanosine-5',3'-Tetraphosphate","DrugType":"small molecule","HalfLife":"","Description":"Guanosine 5\u0026#39;-diphosphate 2\u0026#39;(3\u0026#39;)-diphosphate. A guanine nucleotide containing four phosphate groups. Two phosphate groups are esterified to the sugar moiety in the 5\u0026#39; position and the other two in the 2\u0026#39; or 3\u0026#39; position. This nucleotide serves as a messenger to turn off the synthesis of ribosomal RNA when amino acids are not available for protein synthesis. Synonym: magic spot I. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04023","Name":"Guanosine 5'-(Trihydrogen Diphosphate), P'-D-Mannopyranosyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Purine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04024","Name":"N'-L-Seryl-3'-Amino-(3'-Deoxy)-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04026","Name":"Pseudotropine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tropanes. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.","DirectParent":"Tropanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tropanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04027","Name":"D-Arginine","DrugType":"small molecule","HalfLife":"","Description":"An essential amino acid that is physiologically active in the L-form. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04028","Name":"Tyvelose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04029","Name":"Phenylalanine Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04030","Name":"1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.","DirectParent":"Beta Carbolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyridoindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04031","Name":"Serine Vanadate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04032","Name":"Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Butyl-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04033","Name":"Z-Ala Prolinal","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04034","Name":"Ribulose-5-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04035","Name":"Pinacol[[2-Amino-Alpha-(1-Carboxy-1-Methylethoxyimino)-4-Thiazoleacetyl]Amino]Methaneboronate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04036","Name":"Coenzyme a Persulfide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.","DirectParent":"Coenzyme A and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04037","Name":"N,N-Bis(4-Chlorobenzyl)-1h-1,2,3,4-Tetraazol-5-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04038","Name":"Ergosterol","DrugType":"small molecule","HalfLife":"","Description":"A steroid of interest both because its biosynthesis in FUNGI is a target of ANTIFUNGAL AGENTS, notably AZOLES, and because when it is present in SKIN of animals, ULTRAVIOLET RAYS break a bond to result in ERGOCALCIFEROL. [PubChem]","Classification":{"Description":"This compound belongs to the ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3β-ol or a derivative thereof, which is based on the 3β-hydroxylated ergostane skeleton.","DirectParent":"Ergosterols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ergosterols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04039","Name":"3-Oxo-Pentadecanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the keto fatty acids. These are fatty acids containing a ketone group attached to the acyl chain.","DirectParent":"Keto Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Keto Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04040","Name":"N-(2-Morpholin-4-Yl-1-Morpholin-4-Ylmethyl-Ethyl)-3-Nitro-5-(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yloxy)-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04041","Name":"Nitrocefin Acyl-Serine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04042","Name":"2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04043","Name":"Carboxymycobactin T","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.","DirectParent":"Cyclic Depsipeptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04044","Name":"4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04045","Name":"Methylmalonyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04046","Name":"Methyl beta-galactoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04047","Name":"[Pterin-6-Yl Methanyl]-Phosphonophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04048","Name":"N-Carbamoyl-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04049","Name":"Coelenteramide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04050","Name":"N-Propyl Isocyanide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04051","Name":"5-Phenylvaleric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbocyclic fatty acids. These are fatty acids contaning a carbocylic ring .","DirectParent":"Carbocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Carbocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04052","Name":"3,4-Dimethylphenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.","DirectParent":"Para Cresols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04053","Name":"Hypophosphite","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the non-metal hypophosphites. These are inorganic non-metallic compoundscontaining a hypophosphite as its largest oxoanion.","DirectParent":"Non-metal Hypophosphites","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Non-metal Oxoanionic Compounds","SubClass":"Non-metal Hypophosphites"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04054","Name":"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04055","Name":"2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04056","Name":"6-Aminobenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04057","Name":"Beta-Dadf, Msa, Multisubstrate Adduct Inhibitor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1-phosphoribosyl-imidazoles. These are organic compounds containing the imidazole ring linked to a ribose phosphate through a 1-2 bond.","DirectParent":"1-Phosphoribosyl-imidazoles","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04058","Name":"D-[(Amino)Carbonyl]Phenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04059","Name":"8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04060","Name":"(5-Methyl-6-Oxo-1,6-Dihydro-Pyridin-3-Yl)-1,2-Dideoxy-Ribofuranose-5-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinones. These are compounds containing a pyridine ring, which bears a ketone.","DirectParent":"Pyridinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04061","Name":"Alpha-Amino-2-Indanacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04062","Name":"Beta-D-Fucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04063","Name":"2-Methylleucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04064","Name":"Nogalaviketone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4.","DirectParent":"Tetracenequinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthacenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04065","Name":"N-Cyclopentyl-N-Cyclobutylformamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 ≠ H).","DirectParent":"Tertiary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04066","Name":"Para-Coumaric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C4 carbon atom of the benzene ring.","DirectParent":"Coumaric Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Hydroxycinnamic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04067","Name":"4-Hydroxybenzyl Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coenzyme a and derivatives. These are derivative of vitamin B5 containing a 4'-phosphopantetheine moiety attached to a diphospho-adenosine.","DirectParent":"Coenzyme A and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04068","Name":"Fudp","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.","DirectParent":"Pyrimidine Deoxyribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04069","Name":"5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04070","Name":"6-Deoxyerythronolide B","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04071","Name":"Cpad","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04072","Name":"Alpha-Methylisocitric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04073","Name":"N-{3-[4-(3-Amino-Propyl)-Piperazin-1-Yl]-Propyl}-3-Nitro-5-(Galactopyranosyl)-Beta-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04074","Name":"Alpha-ketoisovalerate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00137","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00139","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00173","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00237","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00238","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00199","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00200","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00523","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00032","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00384","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00138","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00522","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00140","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00141","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00236","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00521","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]},{"ID":"SMP00524","Drugs":["DB00121","DB00139","DB00142","DB00147","DB00161","DB00167","DB03229","DB04074"]}]},{"ID":"DB04075","Name":"N-Acetyl-L-Glutamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04076","Name":"Hypoxanthine","DrugType":"small molecule","HalfLife":"","Description":"A purine and a reaction intermediate in the metabolism of adenosine and in the formation of nucleic acids by the salvage pathway. [PubChem]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB04077","Name":"Glycerol","DrugType":"small molecule","HalfLife":"","Description":"A trihydroxy sugar alcohol that is an intermediate in carbohydrate and lipid metabolism. It is used as a solvent, emollient, pharmaceutical agent, and sweetening agent. [PubChem]","Classification":{"Description":"This compound belongs to the sugar alcohols. These are hydrogenated forms of carbohydrate, whose carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.","DirectParent":"Sugar Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00187","Drugs":["DB04077","DB04326"]},{"ID":"SMP00530","Drugs":["DB04077","DB04326"]},{"ID":"SMP00039","Drugs":["DB04077","DB04326"]},{"ID":"SMP00529","Drugs":["DB04077","DB04326"]},{"ID":"SMP00043","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]},{"ID":"SMP00182","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]}]},{"ID":"DB04078","Name":"Isobutylbenzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04079","Name":"Heptane-1,2,3-Triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","DirectParent":"Fatty Alcohols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Alcohols","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04080","Name":"RU78191","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04081","Name":"(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiopyrans. These are compounds containing a six-member aliphatic heterocycle made up of one sulfur atom and five carbon atoms.","DirectParent":"Thiopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04082","Name":"Decyloxy-Methanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hemiacetals. These are compounds comprising the hemiacetal functional group, with the general formula R2C(OH)OR' ( R' ≠ H ).","DirectParent":"Hemiacetals","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Hemiacetals"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04083","Name":"N'-Pyridoxyl-Lysine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04084","Name":"2-Deoxy-2-Fluoro-Alpha-D-Mannose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04085","Name":"1-[Pyrrol-1-Yl-2,5-Dione-Methoxymethyl]-Pyrrole-2,5-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-substituted carboxylic acid imides. These are compounds comprising an N-substituted carboxylic acid imide group, with the general structure R1N(C(R2)=O)C(R3)=O (R2,R3=H, alkyl, aryl; R1=Anything but H).","DirectParent":"N-substituted Carboxylic Acid Imides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04086","Name":"2',4'-Dinitrophenyl-2deoxy-2-Fluro-B-D-Cellobioside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04087","Name":"Open Form of 2'-Deoxy-Ribofuranose-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04088","Name":"N-(Allyloxycarbonyl)-4-[N-(Carboxy-Formyl)-2-(Benzoic Acid)-Amino]-L-Phenylalaninyl-Amino-Butyloxy-(6-Hydroxy-Benzoic Acid Methyl Ester)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04089","Name":"AL5300","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienothiazines. These are heterocyclic compounds containing a thiophene ring fused to a thiazine.","DirectParent":"Thienothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienothiazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04090","Name":"2,5-Diaziridin-1-Yl-3-(Hydroxymethyl)-6-Methylcyclohexa-2,5-Diene-1,4-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-quinones.","DirectParent":"p-Quinones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04091","Name":"Alpha-L-1-Methyl-Fucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04092","Name":"Apstatin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04093","Name":"Undecanal","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04094","Name":"4-Hydroxy-2-Butanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be H).","DirectParent":"Ketones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04095","Name":"9-Deazahypoxanthine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04096","Name":"5-Amino-5-Deoxy-Cellobiono-1,5-Lactam","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04097","Name":"Uridine-5'-Diphosphate-4-Deoxy-4-Fluoro-Alpha-D-Galactose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04098","Name":"Balanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04099","Name":"Deamido-Nad+","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04100","Name":"(1,10 Phenanthroline)-(Tri-Carbon Monoxide) Rhenium (I)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.","DirectParent":"Phenanthrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Phenanthrolines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04101","Name":"N-[4-(2,4-Dimethyl-1,3-Thiazol-5-Yl)Pyrimidin-2-Yl]-N'-Hydroxyimidoformamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.","DirectParent":"2,4,5-trisubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04102","Name":"2-Amino-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a purine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Purine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04103","Name":"3-Methylcytosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04104","Name":"3-Methyladenine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04105","Name":"N-Heptylformamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).","DirectParent":"Secondary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04106","Name":"Fotemustine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphonic acid esters. These are organic compounds containing phosphonic acid ester functional group.","DirectParent":"Phosphonic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Phosphonic Acid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04107","Name":"[(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04108","Name":"(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04109","Name":"[4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04110","Name":"2-Nitro-P-Cresol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04111","Name":"Balhimycin","DrugType":"small molecule","HalfLife":"","Description":"Balhimycin is a novel glycopeptide antibiotic.","Classification":{"Description":"This compound belongs to the cyclic glycopeptides and derivatives. These are compounds containing a a carbohydrate covalently attached to a the backbone of a cyclic peptide.","DirectParent":"Cyclic Glycopeptides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04112","Name":"1-Octadecyl-2-Acetamido-2-Deoxy-Sn-Glycerol-3-Phosphoethylmethyl Sulfide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphoethanolamines. These are compounds containing a phosphate linked to the second carbon of an ethanolamine.","DirectParent":"Phosphoethanolamines","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04113","Name":"N-Formylpiperidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04114","Name":"3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04115","Name":"Berberine","DrugType":"small molecule","HalfLife":"","Description":"An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal. [PubChem]","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04116","Name":"Allolactose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04117","Name":"4-(N,N-Dimethylamino)Cinnamoyl-Coa","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04118","Name":"N-Coeleneterazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04119","Name":"Hexatantalum Dodecabromide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04120","Name":"4-Methyl-1,2-Benzenediol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity.","DirectParent":"Catechols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04121","Name":"Guanosine-3'-Monophosphate-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04122","Name":"Beta-D-Glucose-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04123","Name":"(P-Iodophenylacetylamino)Methylphosphinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04124","Name":"Aurodox","DrugType":"small molecule","HalfLife":"","Description":"Aurodox is an antibiotic obtained from a streptomyces variant considered as possibly effective against streptococcus pyogenes infections. It may promote growth in poultry.","Classification":{"Description":"This compound belongs to the c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.","DirectParent":"C-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04125","Name":"N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04126","Name":"N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04127","Name":"Beta-D-Arabinofuranose-5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04128","Name":"5-Nitroso-6-Ribityl-Amino-2,4(1h,3h)-Pyrimidinedione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.","DirectParent":"Pentoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04129","Name":"Willardiine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04130","Name":"5-Methoxybenzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04131","Name":"10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.","DirectParent":"Anthracyclines","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Anthracyclines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04132","Name":"S-Hexylglutathione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04133","Name":"Degraded Cephaloridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1,3-thiazines. These are organic compounds containing 1,3-thiazine, a six-member ring with a nitrogen and a sulfur atoms in ring positions 1 and 3 respectively, as well as two double bonds.","DirectParent":"1,3-Thiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiazines","SubClass":"1,3-Thiazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04135","Name":"5-Fluoro-4-(S)-Hydroxy-3,4-Dihydropyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04136","Name":"Lysophosphotidylserine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monoalk(en)ylglycerophosphates. These are compounds containing glycerophosphate moeity attached to an fatty acyl chain through an ether bon.","DirectParent":"Monoalk(en)ylglycerophosphates","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04137","Name":"Guanosine-5'-Triphosphate","DrugType":"small molecule","HalfLife":"","Description":"Guanosine 5\u0026#39;-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Triphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04138","Name":"2,4-Dinitro,5-[Bis(2-Bromoethyl)Amino]-N-(2',3'-Dioxopropyl)Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04139","Name":"6-Hydroxypropylthymine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04140","Name":"1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04141","Name":"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04142","Name":"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04143","Name":"Indole-3-Glycerol Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04144","Name":"Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04145","Name":"Pyridin-3-Ylmethanol","DrugType":"small molecule","HalfLife":"","Description":"A direct-acting peripheral vasodilator that causes flushing and may decrease blood pressure. It is used in vasospasm and threatened gangrene. [PubChem]","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04146","Name":"I-Coeleneterazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04147","Name":"Lauryl Dimethylamine-N-Oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04149","Name":"(R)-Rolipram","DrugType":"small molecule","HalfLife":"","Description":"A phosphodiesterase inhibitor with antidepressant properties. [PubChem]","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04150","Name":"Threonine Derivative","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04151","Name":"4-Methyl-Histidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04152","Name":"2-Amino-3-(3-Hydroxy-7,8-Dihydro-6h-Cyclohepta[D]-4-Isoxazolyl)Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04153","Name":"S-Hydroxymethyl Glutathione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04154","Name":"N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04155","Name":"2-Fluoro-2-Deoxy-Beta-D-Galactopyranosyl-Beta-D-Glucopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04156","Name":"Aspartate Beryllium Trifluoride","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04157","Name":"N-[(Aminooxy)Carbonyl]Aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylcarbamates. These are compounds containing a phenylazide moiety, which consists of a carbamic acid substituent attacthed to a phenyl group.","DirectParent":"Phenylcarbamates","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylcarbamates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04158","Name":"6-(Adenosine Tetraphosphate-Methyl)-7,8-Dihydropterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside polyphosphates. These are purine ribobucleotides with polyphosphate (with 4 or more phosphate) group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Polyphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04159","Name":"Beta-Hydroxytryptophane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04160","Name":"Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the non-metal pyrophosphates. These are inorganic non-metallic compoundscontaining a pyrophosphate as its largest oxoanion.","DirectParent":"Non-metal Pyrophosphates","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Non-metal Oxoanionic Compounds","SubClass":"Non-metal Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04161","Name":"Propionamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.","DirectParent":"Primary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04162","Name":"5-Nitro-6-Ribityl-Amino-2,4(1h,3h)-Pyrimidinedione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.","DirectParent":"Pentoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04163","Name":"5-Phenylsulfanyl-2,4-Quinazolinediamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04164","Name":"1,4-Deoxy-4-((5-Hydroxymethyl-2,3,4-Trihydroxycyclohex-5-Enyl)Amino)Fructose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitols and derivatives. These are cyclitols with at least one hydroxyl group replace by an amino group.","DirectParent":"Aminocyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04165","Name":"Valpromide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.","DirectParent":"Primary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04166","Name":"2-Aminobenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04167","Name":"N-Acetyl-L-Glutamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04168","Name":"2-Amino-5-Bromo-6-Phenylpyrimidin-4-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04169","Name":"3,5-Diaminophthalhydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phthalazinones. These are compounds containing a phthalazine bearing a ketone group.","DirectParent":"Phthalazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Phthalazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04170","Name":"4-Bromo-3-Hydroxy-3-Methyl Butyl Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04171","Name":"D-Isovaline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04172","Name":"[2,4,6-Triisopropyl-Phenylsulfonyl-L-[3-Amidino-Phenylalanine]]-Piperazine-N'-Beta-Alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04173","Name":"Fructose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.","DirectParent":"C-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04174","Name":"3'-1-Carboxy-1-Phosphonooxy-Ethoxy-Uridine-Diphosphate-N-Acetylglucosamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04175","Name":"Mdl-29951","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.","DirectParent":"Indolecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04176","Name":"Phosporic Acid Mono-[3,4-Dihydroxy-5-(5-Methoxy-Benzoimidazol-1-Yl)-Tetrahydro-Furan-2-Ylmethyl] Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazole nucleosides and nucleotides. These are nucleoside or nucleotide analogues in which the imidazole moiety of benzimidazole is linked to a ribose (or ribose derivative).","DirectParent":"Benzimidazole Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04177","Name":"4-(3,14-Dihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One","DrugType":"small molecule","HalfLife":"","Description":"3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin. [PubChem]","Classification":{"Description":"This compound belongs to the cardenolides and derivatives. These are steroid lactones containing a furan-2-one moeity linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.","DirectParent":"Cardenolides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Lactones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04178","Name":"Di-Stearoyl-3-Sn-Phosphatidylcholine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.","DirectParent":"Phosphatidylcholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04179","Name":"Benzofuran","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04180","Name":"4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04181","Name":"Cefotaxime Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04182","Name":"(S)-2-Amino-4-[(2s,3r)-2,3,5-Trihydroxy-4-Oxo-Pentyl]Mercapto-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04183","Name":"Methylmalonic Acid","DrugType":"small molecule","HalfLife":"","Description":"A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA. [PubChem]","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04185","Name":"Norvaline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04186","Name":"N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04187","Name":"(9s,10s)-9-(S-Glutathionyl)-10-Hydroxy-9,10-Dihydrophenanthrene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04188","Name":"MDL72527","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04189","Name":"N2-(Carboxyethyl)-L-Arginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04190","Name":"Inhibitor Bea425","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04191","Name":"Skf 107457","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04193","Name":"L-Homoserine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00221","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00340","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00570","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]}]},{"ID":"DB04194","Name":"Chitotriose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04195","Name":"Heptulose-2-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04196","Name":"Pteroic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04197","Name":"Descarboxy-nor-N(Omega)-Hydroxy-L-Arginine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04198","Name":"Formycin B","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04199","Name":"1-Monohexanoyl-2-Hydroxy-Sn-Glycero-3-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lysophosphatidic acids. These are glycerophosphates where the glycerol is esterified with one fatty acid.","DirectParent":"Lysophosphatidic Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04200","Name":"Matairesinol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lignan lactones. These are compounds containing a lactone glycosidically linked to a lignan moiety.","DirectParent":"Lignan Lactones","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"Lignan Lactones","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04201","Name":"Histidyl-Adenosine Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04202","Name":"Isoformononetin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoflavonoids. These are natural products derived from 3-phenylchromen-4-one.","DirectParent":"Isoflavonoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Isoflavonoids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04203","Name":"3-Mercuri-4-Aminobenzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04204","Name":"[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04205","Name":"Thymidine-3',5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine deoxyribonucleoside 3',5'-bisphosphates. These are pyrimidine ribobucleotides with one phosphate group attached to each of two different hydroxyl groups of the ribose moiety, which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine Deoxyribonucleoside 3',5'-Bisphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04206","Name":"Nz2-Tryptophan","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04207","Name":"N-(5-Amino-5-Carboxypentyl)Glutamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00037","Drugs":["DB00142","DB04207"]},{"ID":"SMP00186","Drugs":["DB00142","DB04207"]},{"ID":"SMP00527","Drugs":["DB00142","DB04207"]},{"ID":"SMP00719","Drugs":["DB00142","DB04207"]},{"ID":"SMP00239","Drugs":["DB00142","DB04207"]},{"ID":"SMP00528","Drugs":["DB00142","DB04207"]},{"ID":"SMP00571","Drugs":["DB00142","DB04207"]}]},{"ID":"DB04208","Name":"3-(3,4-Dimethoxyphenyl)Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04209","Name":"Dequadin","DrugType":"small molecule","HalfLife":"","Description":"A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration. [PubChem]","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04210","Name":"BV1","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04211","Name":"3-Fluorosialic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04212","Name":"2-Iminiopropanoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04213","Name":"N-Cyclohexyl-N'-(Propyl)Phenyl Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04214","Name":"4-Nitrophenyl Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04215","Name":"CRA_9076","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04216","Name":"Quercetin","DrugType":"small molecule","HalfLife":"","Description":"A flavonol widely distributed in plants. It is an antioxidant, like many other phenolic heterocyclic compounds. Glycosylated forms include RUTIN and quercetrin. [PubChem]","Classification":{"Description":"This compound belongs to the flavonols. These are compounds that has the 3-hydroxyflavone backbone.","DirectParent":"Flavonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"Quercetin is a specific quinone reductase 2 (QR2) inhibitor, an enzyme (along with the human QR1 homolog) which catalyzes metabolism of toxic quinolines. Inhibition of QR2 in plasmodium may potentially cause lethal oxidative stress. The inhibition of antioxidant activity in plasmodium may contribute to killing the malaria causing parasites. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04217","Name":"L-2-amino-3-butynoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04218","Name":"1-Deaza-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04219","Name":"Trivanadate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.","DirectParent":"Transition Metal Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Organides","SubClass":"Transition Metal Oxides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04220","Name":"Rifamycin Cgp 4832","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthofurans. These are compounds containing a furan ring fused to a naphthalene moeity.","DirectParent":"Naphthofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthofurans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB06414"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04221","Name":"Didecyl-Dimethyl-Ammonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04222","Name":"Sparsomycin","DrugType":"small molecule","HalfLife":"","Description":"An antitumor antibiotic produced by Streptomyces sparsogenes. It inhibits protein synthesis in 70S and 80S ribosomal systems. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04223","Name":"Nitroarginine","DrugType":"small molecule","HalfLife":"","Description":"An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6)","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04224","Name":"Oleic Acid","DrugType":"small molecule","HalfLife":"","Description":"An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed)","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04225","Name":"N-Methyldehydrobutyrine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04226","Name":"Dihydro-Acarbose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetrahexoses. These are tetrasaccharides containing four hexose carbohydrates.","DirectParent":"Tetrahexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Tetrasaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04227","Name":"9-Amino-2-Deoxy-2,3-Dehydro-N-Acetyl-Neuraminic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.","DirectParent":"Pyranoid Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04228","Name":"(2r)-Amino(3,5-Dihydroxyphenyl)Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04229","Name":"7,10,13-Tri(Carboxymethyl)-5,15-Dioxo-4,7,10,13,16-Pentaaza-1,19-Dithianonadecane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04230","Name":"Nitromethyldethia Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04231","Name":"Tetra(Imidazole)Diaquacopper (I)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.","DirectParent":"N-substituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04232","Name":"N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04233","Name":"(Hydroxyethyloxy)Tri(Ethyloxy)Octane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04234","Name":"N2-({[(4-Bromophenyl)Methyl]Oxy}Carbonyl)-N1-[(1s)-1-Formylpentyl]-L-Leucinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04235","Name":"4-Amino Hexanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04236","Name":"2-Amino-3-(1h-Indol-3-Yl)-Propan-1-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04237","Name":"Tris(Hydroxyethyl)Aminomethane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyols. These are organic compounds containing more than one hydroxyl groups.","DirectParent":"Polyols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Polyols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04238","Name":"N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04239","Name":"2-Amino-6-Aminomethyl-8-Phenylsulfanylmethyl-3h-Quinazolin-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04240","Name":"1,2-Hydro-1-Oxy-3,4-Hydro-3-(1-Methoxy-2-Oxy-3,4-Dihydroxypentyl)-8,9-Dihydroxy-7-(Sec-Butyl)-Anthracene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.","DirectParent":"Anthracenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04241","Name":"N-Pyridoxyl-2-Methylalanine-5-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04242","Name":"P-Hydroxybenzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04243","Name":"5-Methyluridine 5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04244","Name":"1-[2-(3-Biphenyl)-4-Methylvaleryl)]Amino-3-(2-Pyridylsulfonyl)Amino-2-Propanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04245","Name":"2-Hydroxy-3-Amino-4-Phenyl Butane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04246","Name":"CRA_23653","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04248","Name":"Beta-1,4-Galactotrioside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trihexoses. These are trisaccharides containing three hexose carbohydrates.","DirectParent":"Trihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Trisaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04249","Name":"Zinc Substituted Heme C","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04250","Name":"Butyrylthiocholine","DrugType":"small molecule","HalfLife":"","Description":"A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity. [PubChem]","Classification":{"Description":"This compound belongs to the thioesters. These are compounds containing the ester derivative of thiocarboxylic acid,with the general structure R-S-CO-R' (R,R'=alkyl,aryl).","DirectParent":"Thioesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04251","Name":"Monoisopropyl Ester Phosphonic Acid Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04252","Name":"N-Carbamoyl-L-Aspartate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04253","Name":"CB1954","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylaziridines. These are compounds containing a phenylaziridine moiety, which consists of an aziridine ring attacthed to a phenyl group.","DirectParent":"Phenylaziridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Aziridines","SubClass":"Phenylaziridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04254","Name":"8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04255","Name":"Inhibitor Bea388","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04256","Name":"4-(1-Amino-1-Carboxy-Ethyl)-Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04257","Name":"Palmitoleic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04258","Name":"Seocalcitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04259","Name":"7n-Methyl-8-Hydroguanosine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04260","Name":"9-(5,5-Difluoro-5-Phosphonopentyl)Guanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04261","Name":"Carbamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbamic acids. These are compounds containing the carbamic acid functional group.","DirectParent":"Carbamic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04262","Name":"3-(7-Hydroxy-8-Ribityllumazine-6-Yl) Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.","DirectParent":"Pteridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04263","Name":"G418","DrugType":"small molecule","HalfLife":"","Description":"G418 (also known as Geneticin) is an aminoglycoside antibiotic similar in structure to gentamicin B1. It is produced by Micromonospora rhodorangea. G418 blocks polypeptide synthesis by inhibiting the elongation step in both prokaryotic and eukaryotic cells. Resistance to G418 is conferred by the neo gene from Tn5 encoding an aminoglycoside 3‘-phosphotransferase, APH 3‘ II. G418 is commonly used in laboratory research to select genetically engineered cells.","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04264","Name":"(10R)-10-Formyl-5,8,10-Trideazafolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04265","Name":"Beta-Sialic Acid","DrugType":"small molecule","HalfLife":"","Description":"An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518)","Classification":{"Description":"This compound belongs to the neuraminic acid derivatives. These are compounds containingor dervivated from a neuraminic acid moeity (5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid), which is a 9-carbon monosaccharide.","DirectParent":"Neuraminic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04266","Name":"5-(6-D-Ribitylamino-2,4-Dihydroxypyrimidin-5-Yl)-1-Pentyl-Phosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.","DirectParent":"Pentoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04267","Name":"Dipicolinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.","DirectParent":"Pyridinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04268","Name":"Methylumbelliferyl Chitotriose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.","DirectParent":"Coumarin Glycosides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":"Coumarin Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04269","Name":"Cyclotheonamide A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04270","Name":"(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04271","Name":"3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which an hydrogen atom is replaced by a carboxylic acid group.","DirectParent":"Pyrazole Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04272","Name":"Citric Acid","DrugType":"small molecule","HalfLife":"","Description":"A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability. [PubChem]","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"ORAL (LD50): Acute: 5040 mg/kg [Mouse]. 3000 mg/kg [Rat].","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB08822"},{"ID":"DB06210"},{"ID":"DB01356"}],"Salts":null,"Groups":{"nutraceutical":true},"Pathways":[{"ID":"SMP00466","Drugs":["DB00119","DB00121","DB04272"]},{"ID":"SMP00547","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00549","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00550","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00057","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00548","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00546","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00551","Drugs":["DB00119","DB00121","DB00139","DB01677","DB04272"]},{"ID":"SMP00654","Drugs":["DB00119","DB00121","DB00130","DB00139","DB00142","DB01345","DB01677","DB01709","DB01819","DB02263","DB04272","DB04326"]}]},{"ID":"DB04273","Name":"8,9-Dichloro-2,3,4,5-Tetrahydro-1h-Benzo[C]Azepine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04274","Name":"5,4'-Dideoxyflavanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavanones. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.","DirectParent":"Flavanones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04275","Name":"N-Acetyl Serotonin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the serotonins. These are compounds containing a serotonin moiety, which conists of an indole that bears an aminoethyl a position 2 and an hydroxyl group at position 5.","DirectParent":"Serotonins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04276","Name":"N-[N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-Butyl]-Guanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04277","Name":"Fructose -6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04278","Name":"2-[2-(2-Cyclohexyl-2-Guanidino-Acetylamino)-Acetylamino]-N-(3-Mercapto-Propyl)-Propionamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04279","Name":"3-Isopropylmalic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04280","Name":"((2r,3s,5r)-3-Hydroxy-5-(4-Hydroxy-2-Oxo-3,4-Dihydropyrimidin-1(2h)-Yl)-Tetrahydrofuran-2-Yl)Methyldihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04281","Name":"2-[4-(4-Chlorophenyl)Cyclohexylidene]-3,4-Dihydroxy-1(2h)-Naphthalenone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04282","Name":"2-Deoxy-2fluoro-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04283","Name":"2-Bromo-6-Hydroxy-Purine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04284","Name":"Proline Betaine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04285","Name":"{4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lignans and norlignans. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties.","DirectParent":"Lignans and Norlignans","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04286","Name":"beta-D-Ribopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04287","Name":"(S)-5-(4-Benzyloxy-Phenyl)-4-(7-Phenyl-Heptanoylamino)-Pentanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04288","Name":"2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04289","Name":"Genz-10850","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.","DirectParent":"Fluorenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Fluorenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04290","Name":"[2-Cytidylate-O'-Phosphonyloxyl]-Ethyl-Trimethyl-Ammonium","DrugType":"small molecule","HalfLife":"","Description":"Donor of choline in biosynthesis of choline-containing phosphoglycerides. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04291","Name":"(2s)-Amino(4-Hydroxyphenyl)Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04292","Name":"4-[(Isopropylamino)Methyl]Phenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04293","Name":"7-(2-Amino-2-Phenyl-Acetylamino)-3-Chloro-8-Oxo-1-Aza-Bicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbacephems. These are a new class of beta-lactam antibiotics similar in structure to the cephalosporins.They differ from cephalosporins, however, in the substitution of a sulfur atom in the dihydrothiazine ring with a methylene group to form a tetrahydropyridine ring.","DirectParent":"Carbacephems","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04294","Name":"5-Phosphoribosyl-1-(Beta-Methylene) Pyrophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04295","Name":"N-Benzoyl-N'-Beta-D-Glucopyranosyl Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04296","Name":"5-Oxo-L-Norleucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04297","Name":"7-[4-(Dimethylamino)Phenyl]-N-Hydroxy-4,6-Dimethyl-7-Oxo-2,4-Heptadienamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04298","Name":"3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04299","Name":"Maleic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04300","Name":"(1s,3r,4r,6s)-1,3,4,6-Tetrapkisphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.","DirectParent":"Inositol Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04301","Name":"Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04302","Name":"4-Hydroxy-3,5-Dimethyl-5-(2-Methyl-Buta-1,3-Dienyl)-5h-Thiophen-2-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihydrothiophenes. These are compounds containing a dihydrothiophene moiety, which is a thiophene derivative with only one double bond.","DirectParent":"Dihydrothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dihydrothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04303","Name":"4-O-Methyl-Alpha-D-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04304","Name":"Gluconic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04306","Name":"5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04307","Name":"5-Hydroxy-N-Propargyl-1(R)-Aminoindan","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.","DirectParent":"Indanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04308","Name":"(2r)-Amino(4-Hydroxyphenyl)Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04310","Name":"2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04311","Name":"4-Phenylbutylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04312","Name":"2,3-Difluorobenzyl Alcohol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04313","Name":"3-Methyl-Aspartic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04314","Name":"1-Methylcytosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04315","Name":"Guanosine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"A guanine nucleotide containing two phosphate groups esterified to the sugar moiety. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04316","Name":"D-[(N-Hydroxyamino)Carbonyl]Phenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04317","Name":"3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04318","Name":"1-Benzyloxycarbonylamino-2-Phenyl-Ethyl)-{2-[1-Carbamoyl-2-(1h-Indol-3-Yl)-Ethylcarbamoyl]-5-Phenyl-Pentyl}-Phosphinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04319","Name":"6-Deoxyglucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04320","Name":"2-Bromo-2-Propene-1-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bromohydrins. These are alcohols substituted by a bromine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.","DirectParent":"Bromohydrins","Kingdom":"Organic Compounds","SuperClass":"Organic Halides","Class":"Halohydrins","SubClass":"Bromohydrins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04321","Name":"N-Hexylphosphonate Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphonic acid esters. These are organic compounds containing phosphonic acid ester functional group.","DirectParent":"Phosphonic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Phosphonic Acid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04322","Name":"LY249543","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04323","Name":"2-Amino-3-(Cystein-S-Yl)-Isoxazolidin-5-Yl-Acetic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04324","Name":"Ovalicin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monoterpenes. These are compounds contaning a chain of two isoprene units.","DirectParent":"Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04325","Name":"2-Phenylethylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04326","Name":"1,3-Dihydroxyacetonephosphate","DrugType":"small molecule","HalfLife":"","Description":"An important intermediate in lipid biosynthesis and in glycolysis. [PubChem]","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00520","Drugs":["DB01592","DB02263","DB04326"]},{"ID":"SMP00530","Drugs":["DB04077","DB04326"]},{"ID":"SMP00124","Drugs":["DB02263","DB04326"]},{"ID":"SMP00187","Drugs":["DB04077","DB04326"]},{"ID":"SMP00039","Drugs":["DB04077","DB04326"]},{"ID":"SMP00479","Drugs":["DB03193","DB04326"]},{"ID":"SMP00529","Drugs":["DB04077","DB04326"]},{"ID":"SMP00519","Drugs":["DB01592","DB02263","DB04326"]},{"ID":"SMP00355","Drugs":["DB00139","DB01677","DB02263","DB04326"]},{"ID":"SMP00518","Drugs":["DB01592","DB02263","DB04326"]},{"ID":"SMP00025","Drugs":["DB01373","DB03994","DB04326"]},{"ID":"SMP00031","Drugs":["DB01592","DB02263","DB04326"]},{"ID":"SMP00064","Drugs":["DB01593","DB02263","DB03283","DB04326"]},{"ID":"SMP00561","Drugs":["DB01593","DB02263","DB03283","DB04326"]},{"ID":"SMP00374","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00563","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00725","Drugs":["DB01593","DB02263","DB03283","DB04326"]},{"ID":"SMP00128","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00573","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00040","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00581","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00531","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00562","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00560","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00572","Drugs":["DB00119","DB01345","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00574","Drugs":["DB00119","DB00121","DB01709","DB01819","DB02263","DB04326"]},{"ID":"SMP00654","Drugs":["DB00119","DB00121","DB00130","DB00139","DB00142","DB01345","DB01677","DB01709","DB01819","DB02263","DB04272","DB04326"]}]},{"ID":"DB04327","Name":"Phosphatidylethanolamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages.","DirectParent":"Phosphatidylethanolamines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoethanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04328","Name":"Shikimate-3-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04329","Name":"Isoquinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04330","Name":"Bilh 434","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indanones. These are compounds containing an indane ring bearing a ketone group.","DirectParent":"Indanones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":"Indanones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04331","Name":"Monastrol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydropyrimidine carboxylic acids and derivatives. These are compounds containin an hydrogenated pyrimidine ring which bears a carboxylic acid group.","DirectParent":"Hydropyrimidine Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04332","Name":"2-{2-[2-2-(Methoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04333","Name":"Octamethylenediamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04334","Name":"6-hydroxydopa quinone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04335","Name":"Inosine","DrugType":"small molecule","HalfLife":"","Description":"A purine nucleoside that has hypoxanthine linked by the N9 nitrogen to the C1 carbon of ribose. It is an intermediate in the degradation of purines and purine nucleosides to uric acid and in pathways of purine salvage. It also occurs in the anticodon of certain transfer RNA molecules. (Dorland, 28th ed)","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"The primary popular claim made for inosine, that it enhances exercise and athletic performance, is refuted by the available research data. There is some preliminary evidence that inosine may have some neurorestorative, anti-inflammatory, immunomodulatory and cardioprotective effects.","Toxicity":"","MechanismOfAction":"Inosine has been found to have potent axon-promoting effects in vivo following unilateral transection of the corticospinal tract of rats. The mechanism of this action is unclear. Possibilities include serving as an agonist of a nerve growth factor-activated protein kinase (N-Kinase), conversion to cyclic nucleotides that enable advancing nerve endings to overcome the inhibitory effects of myelin, stimulation of differentiation in rat sympathetic neurons, augmentation of nerve growth factor-induced neuritogenesis and promotion of the survival of astrocytes, among others. The mechanism of inosine's possible cardioprotective effect is similarly unclear. Inosine has been reported to have a positive inotropic effect and also to have mild coronary vasodilation activity. Exogenous inosine may contribute to the high-energy phosphate pool of cardiac muscle cells and favorably affect bioenergetics generally. Inosine has also been reported to enhance the myocardial uptake of carbohydrates relative to free fatty acids as well as glycolysis. In cell culture studies, inosine has been found to inhibit the production, in immunostimulated macrophages and spleen cells, of the proinflammatory cytokines, tumor necrosis factor (TNF)-alpha, interleukin (IL)-1, interleukin (IL)-12, macrophage-inflammatory protein-1 alpha and interferon (IFN)-gamma. It also suppressed proinflammatory cytokine production and mortality in a mouse endotoxemic model. These actions might account for the possible immunomodulatory, anti-inflammatory and anti-ischemic actions of inosine.","Pharmacodynamics":"Inosine may have neuroprotective, cardioprotective, anti-inflammatory and immunomodulatory activities.","Absorption":"Ingested inosine is absorbed from the small intestine.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":[{"ID":"SMP00365","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00512","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00050","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00167","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00203","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00210","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00536","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00220","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00364","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00513","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00535","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00168","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00144","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00537","Drugs":["DB00116","DB00128","DB00130","DB00142","DB00145","DB00640","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00428","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00427","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00640","DB00993","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]},{"ID":"SMP00430","Drugs":["DB00116","DB00118","DB00128","DB00130","DB00142","DB00145","DB00352","DB00640","DB01033","DB01345","DB01373","DB01593","DB01677","DB01696","DB01700","DB01972","DB02134","DB02377","DB02527","DB02857","DB04076","DB04335"]}]},{"ID":"DB04336","Name":"1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04337","Name":"Methyl Isocyanide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04338","Name":"SB220025","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04339","Name":"Carboxymethylenecysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04340","Name":"2-[(Dioxidophosphino)Oxy]Benzoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the salicylic acids. These are ortho-hydroxylated benzoic acids.","DirectParent":"Salicylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04341","Name":"S-(3-Iodobenzyl)Glutathione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04342","Name":"7-((Carboxy(4-Hydroxyphenyl)Acetyl)Amino)-7-Methoxy-(3-((1-Methyl-1h-Tetrazol-5-Yl)Thio)Methyl)-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04343","Name":"Glyoxalate, Glyoxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00352","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00055","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00313","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00350","Drugs":["DB00119","DB00121","DB00142","DB00145","DB00160","DB01593","DB04343"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00242","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00484","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00721","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]}]},{"ID":"DB04345","Name":"7,8-dimethylalloxazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, whose structure is characterized by an isoalloaxzine tricyclic ring.","DirectParent":"Flavins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Alloxazines and Isoalloxazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04346","Name":"(2r,4s)-2-Methyl-2,3,3,4-Tetrahydroxytetrahydrofuran","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms.","DirectParent":"Oxolanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxolanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04347","Name":"3-Dehydroshikimate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms.","DirectParent":"Cyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04348","Name":"Taurocholic Acid","DrugType":"small molecule","HalfLife":"","Description":"The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic. [PubChem]","Classification":{"Description":"This compound belongs to the taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety.","DirectParent":"Taurinated Bile Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00317","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00315","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00318","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00035","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00316","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00314","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00720","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]}]},{"ID":"DB04349","Name":"S-1,2-Propanediol","DrugType":"small molecule","HalfLife":"","Description":"A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations. [PubChem]","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04350","Name":"Argadin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04351","Name":"Aconitate Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04352","Name":"[(2r,3s,4s,5r)-3,4,5-Trihydroxytetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04353","Name":"{(1s)-1-Benzyl-4-[3-Carbamoyl-1-(1-Carbamoyl-2-Phenyl-Ethylcarbamoyl)-(S)-Propylcarbamoyl]-2-Oxo-5-Phenyl-Pentyl}-Carbamic Acid Tert-Butyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04355","Name":"Uridine-5'-Monophosphate Glucopyranosyl-Monophosphateester","DrugType":"small molecule","HalfLife":"","Description":"A key intermediate in carbohydrate metabolism. Serves as a precursor of glycogen, can be metabolized into UDPgalactose and UDPglucuronic acid which can then be incorporated into polysaccharides as galactose and glucuronic acid. Also serves as a precursor of sucrose lipopolysaccharides, and glycosphingolipids. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04356","Name":"9-Deazaguanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04357","Name":"Pteric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04359","Name":"Vinylsulphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04360","Name":"Benzo[B]Thiophene-2-Boronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04361","Name":"Methylhydrazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04362","Name":"Adenosine Diphosphate 5-(Beta-Ethyl)-4-Methyl-Thiazole-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04363","Name":"Mesobiliverdin Iv Alpha","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04364","Name":"R,3-Hydroxybutan-2-One","DrugType":"small molecule","HalfLife":"","Description":"A product of fermentation. It is a component of the butanediol cycle in microorganisms. In mammals it is oxidized to carbon dioxide. [PubChem]","Classification":{"Description":"This compound belongs to the acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups.","DirectParent":"Acyloins","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Acyloins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04365","Name":"Arecoline","DrugType":"small molecule","HalfLife":"","Description":"An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands. [PubChem]","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04366","Name":"3'-Deoxy 3'-Amino Adenosine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04367","Name":"Debromohymenialdisine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04368","Name":"Bb-3497","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04369","Name":"1,3,2-Dioxaborolan-2-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dioxaborolanes. These are compounds containing a five-member saturated aliphatic heterocycle made up of two oxygen atoms, a boron atom, and three carbon atoms.","DirectParent":"Dioxaborolanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dioxaborolanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04370","Name":"S-sulphocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04371","Name":"AL6528","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04372","Name":"Di-Linoleoyl-3-Sn-Phosphatidylcholine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.","DirectParent":"Phosphatidylcholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04373","Name":"4-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04374","Name":"4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazole carboxylic acids. These are heterocyclic compounds containing a triazole ring substituted by at least one carboxylic acid group.","DirectParent":"Triazole Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04375","Name":"5-Methyl-5,6,7,8-Tetrahydrofolic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04376","Name":"13-Acetylphorbol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tigliane diterpenes.","DirectParent":"Tigliane Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04377","Name":"3-Hydroxy-3-Methyl-Glutaric Acid","DrugType":"small molecule","HalfLife":"","Description":"An antilipemic agent which lowers cholesterol, triglycerides, serum beta-lipoproteins and phospholipids. It acts by interfering with the enzymatic steps involved in the conversion of acetate to hydroxymethylglutaryl coenzyme A as well as inhibiting the activity of HYDROXYMETHYLGLUTARYL COA REDUCTASES which is the rate limiting enzyme in the biosynthesis of cholesterol. [PubChem]","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04378","Name":"3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04379","Name":"N-Methyl-N-(Methylbenzyl)Formamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04380","Name":"Diureido-Acetate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04381","Name":"Crotonaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C‒CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.","DirectParent":"Enals","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Aldehydes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04382","Name":"2-Deoxy-Beta-D-Galactose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04383","Name":"L-Valinol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.","DirectParent":"1,2-Aminoalcohols","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Alkanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04384","Name":"Fe-Mesopone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04385","Name":"3-Deazacytidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04386","Name":"4,6-O-(1-Carboxyethylidene)-Beta-D-Glucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranodioxins. These are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring.","DirectParent":"Pyranodioxins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyranodioxins","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04387","Name":"1-Hydroxy-2-Amino-3-Cyclohexylpropane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitols and derivatives. These are cyclitols with at least one hydroxyl group replace by an amino group.","DirectParent":"Aminocyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04388","Name":"4-Carboxy-4-Aminobutanal","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04389","Name":"Ado-P-Ch2-P-Ps-Ado","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04391","Name":"Aeruginosin 98-B","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04392","Name":"Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone]","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chromones. These are compounds containing a benzopyran-4-one moiety.","DirectParent":"Chromones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Chromones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04393","Name":"Diclosan","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04394","Name":"3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04395","Name":"Phosphoaminophosphonic Acid-Adenylate Ester","DrugType":"small molecule","HalfLife":"","Description":"5\u0026#39;-Adenylic acid, monoanhydride with imidodiphosphoric acid. An analog of ATP, in which the oxygen atom bridging the beta to the gamma phosphate is replaced by a nitrogen atom. It is a potent competitive inhibitor of soluble and membrane-bound mitochondrial ATPase and also inhibits ATP-dependent reactions of oxidative phosphorylation. [PubChem]","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04396","Name":"Thiodigalactoside","DrugType":"small molecule","HalfLife":"","Description":"Thiodigalactoside is a solid. This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates. This medication is known to target galectin-1, heat-labile enterotoxin b chain, neurocan core protein, and lactose permease.","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04397","Name":"Alpha-D-Glucose-1-Phosphate-6-Vanadate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose phosphates. These are carbohydrate derivatives containing an hexose substituted by one or more phosphate groups.","DirectParent":"Hexose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04398","Name":"Lactic Acid","DrugType":"small molecule","HalfLife":"","Description":"A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed)","Classification":{"Description":"This compound belongs to the alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.","DirectParent":"Alpha Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Alpha Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04400","Name":"7,8-Dihydrobiopterin","DrugType":"small molecule","HalfLife":"","Description":"7,8-dihydrobiopterin is an inhibitor of the enzyme dihydroneopterin aldolase (DHNA), which catalyzes the conversion of 7,8-dihydroneopterin to 6-hydroxymethyl-7,8-dihydropterin and glycolaldehyde.","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04401","Name":"[Formylmethyl]Trimethyl-Ammonium, N,N,N-Trimethylammonium Acetaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04404","Name":"Allosamizoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.","DirectParent":"Cyclic Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04405","Name":"2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04406","Name":"3-(Phosphonomethyl)Pyridine-2-Carboxylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.","DirectParent":"Pyridinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04407","Name":"4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.","DirectParent":"2,4,5-trisubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04408","Name":"Ncs-Chromophore","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids and derivatives. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group or a derivative.","DirectParent":"Naphthalenecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04409","Name":"Naphthalene Trisulfonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04410","Name":"3-Phenylpropylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04411","Name":"Alpha-N-Dichloroacetyl-P-Aminophenylserinol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04414","Name":"Heptamolybdate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.","DirectParent":"Transition Metal Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Organides","SubClass":"Transition Metal Oxides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04415","Name":"3-Amino-1-Chloro-4-Phenyl-Butanol-2-Yl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04416","Name":"R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04417","Name":"P-Nitrophenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04418","Name":"Adenylosuccinic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04419","Name":"Norleucine","DrugType":"small molecule","HalfLife":"","Description":"An unnatural amino acid that is used experimentally to study protein structure and function. It is structurally similar to METHIONINE, however it does not contain SULFUR. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04421","Name":"Nicotinamide Adenine Dinucleotide 3-Pentanone Adduct","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04422","Name":"2-Amino-4-Mercapto-Butyric Acid","DrugType":"small molecule","HalfLife":"","Description":"A thiol-containing amino acid formed by a demethylation of METHIONINE. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04423","Name":"Coproporphyrin I Containing Co(Iii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom.","DirectParent":"Metallotetrapyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tetrapyrroles and Derivatives","SubClass":"Metallotetrapyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04424","Name":"RPR128515","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04425","Name":"7,8-Dihydroneopterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04426","Name":"Alpha-Methyl-N-Acetyl-D-Glucosamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04427","Name":"3-[[N-[4-Methyl-Piperazinyl]Carbonyl]-Phenylalaninyl-Amino]-5-Phenyl-Pentane-1-Sulfonic Acid Benzyloxy-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04428","Name":"Tungstopterin Cofactor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranopterins and derivatives. These are pterin derivatives in which a pyran ring is fused either to the pyrimidine ring or the pyrazine ring of the pterin moiety.","DirectParent":"Pyranopterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04429","Name":"4'-Hydroxyflavanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavanones. These are compounds containing a flavan-3-one moiety, whose structure is characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.","DirectParent":"Flavanones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04430","Name":"3-(4-Phenylamino-Phenylamino)-2-(1h-Tetrazol-5-Yl)-Acrylonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04431","Name":"4-Epi-Vancosaminyl Derivative of Vancomycin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trihexoses. These are trisaccharides containing three hexose carbohydrates.","DirectParent":"Trihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Trisaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04432","Name":"ZK-805623","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04433","Name":"N''-{3-[(3s,8ar)-1,4-Dioxooctahydropyrrolo[1,2-a]Pyrazin-3-Yl]Propyl}Guanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dioxopiperazines. These are compounds containing a piperazine ring bearing two ketone groups.","DirectParent":"Dioxopiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Dioxopiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04434","Name":"Naphthyridine Inhibitor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthyridines. These are compounds containing a naphthyridine moeity, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.","DirectParent":"Naphthyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04435","Name":"Tetraphenyl-Arsonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04436","Name":"3-Fluorotyrosine","DrugType":"small molecule","HalfLife":"","Description":"3-fluorotyrosine is a solid. This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid. 3-fluorotyrosine targets the protein superoxide dismutase [mn], mitochondrial.","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04437","Name":"Cysteine-Methylene-Carbamoyl-1,10-Phenanthroline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.","DirectParent":"Phenanthrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Phenanthrolines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04438","Name":"BVDU-MP","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04439","Name":"Modified Acarbose Pentasaccharide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04440","Name":"Purine Riboside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04441","Name":"2-Fluoroadenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04442","Name":"2-(2-Oxo-1,2-Dihydro-Pyridin-3-Yl)-1h-Benzoimidazole-5-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04444","Name":"Tetrafluoroaluminate Ion","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the post-transition metal fluorides. These are inorganic compounds in which the largest halogen atom is fluorine, and the heaviest metal atom is a post-transition metal.","DirectParent":"Post-transition Metal Fluorides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Post-transition Metal Salts","SubClass":"Post-transition Metal Fluorides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04445","Name":"Mercury Diiodide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the transition metal iodides. These are inorganic compounds in which the largest halogen atom is Iodine, and the heaviest metal atom is a transition metal.","DirectParent":"Transition Metal Iodides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Salts","SubClass":"Transition Metal Iodides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04446","Name":"Benzo[B]Thiophene-2-Carboxamidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04447","Name":"1,4-Dithiothreitol","DrugType":"small molecule","HalfLife":"","Description":"A reagent commonly used in biochemical studies as a protective agent to prevent the oxidation of SH (thiol) groups and for reducing disulphides to dithiols. [PubChem]","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04448","Name":"2,4-Difluorobenzyl Alcohol 2,4-Difluoro-1-(Hydroxymethyl)Benzene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04449","Name":"5-(3,3-Dihydroxypropeny)-3-Methoxy-Benzene-1,2-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxyphenols and derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.","DirectParent":"Methoxyphenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04450","Name":"Heptyl 1-Thiohexopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thioglycosides. These are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond.","DirectParent":"Thioglycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04451","Name":"4-Methylpiperazin-1-Yl Carbonyl Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diazinanes. These are organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen atoms.","DirectParent":"Diazinanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazinanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04452","Name":"N,N'-Bis(4-Amino-2-Methylquinolin-6-Yl)Urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04453","Name":"4-O-(4,6-Dideoxy-4-{[4-[(4-O-Hexopyranosylhexopyranosyl)Oxy]-5,6-Dihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}Hexopyranosyl)Hexopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04454","Name":"Alpha-Aminobutyric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04455","Name":"Trimethyl Glycine","DrugType":"small molecule","HalfLife":"","Description":"A naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1341)","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04456","Name":"Trihydroxyarsenite(Iii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the metalloid oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a metalloid.","DirectParent":"Metalloid Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Metalloid Organides","SubClass":"Metalloid Oxides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04457","Name":"2'-Deoxyguanosine-5'-Monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04458","Name":"2,2-Dichloro-1-Methanesulfinyl-3-Methyl-Cyclopropanecarboxylic Acid [1-(4-Bromo-Phenyl)-Ethyl]-Amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04459","Name":"3,4-Dichloroisocoumarin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.","DirectParent":"Isocoumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Isocoumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04460","Name":"(C8-S)-Hydantocidin 5'-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04461","Name":"Coproporphyrin Iii","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00345","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00346","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00344","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00024","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]},{"ID":"SMP00342","Drugs":["DB00145","DB01592","DB01593","DB02285","DB03435","DB04461"]}]},{"ID":"DB04462","Name":"Tetrabromo-2-Benzotriazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04463","Name":"3-(4-Amino-1-Tert-Butyl-1h-Pyrazolo[3,4-D]Pyrimidin-3-Yl)Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04464","Name":"N-Formylmethionine","DrugType":"small molecule","HalfLife":"","Description":"Effective in the initiation of protein synthesis. The initiating methionine residue enters the ribosome as N-formylmethionyl tRNA. This process occurs in Escherichia coli and other bacteria as well as in the mitochondria of eucaryotic cells. [PubChem]","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04465","Name":"Lactose","DrugType":"small molecule","HalfLife":"","Description":"A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry. [PubChem]","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00457","Drugs":["DB01345","DB04465"]},{"ID":"SMP00458","Drugs":["DB01345","DB04465"]},{"ID":"SMP00579","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00043","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]},{"ID":"SMP00182","Drugs":["DB01592","DB01593","DB01861","DB02317","DB03435","DB04077","DB04465"]},{"ID":"SMP00444","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]},{"ID":"SMP00580","Drugs":["DB01373","DB01592","DB01593","DB01861","DB02317","DB03435","DB03685","DB04465"]}]},{"ID":"DB04466","Name":"SR12813","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04467","Name":"Pyridoxyl-Alanine-5-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04468","Name":"Afimoxifene","DrugType":"small molecule","HalfLife":"","Description":"Afimoxifene (4-Hydroxytamoxifen, trade name TamoGel) is a new estrogen inhibitor under investigation for a variety of estrogen-dependent conditions, including cyclic breast pain and gynecomastia. TamoGel is formulated using Enhanced Hydroalcoholic Gel (EHG) Technology. This technology enables percutaneous delivery of drugs that cannot be delivered orally. It is being developed by Ascent Therapeutics.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"For the potential treatment of menstrual-cycle related mastalgia, fibrocystic breast disease, breast disease, gynecomastia and Keloid scarring.","Toxicity":"","MechanismOfAction":"Afimoxifene binds to estrogen receptors (ER), inducing a conformational change in the receptor. This results in a blockage or change in the expression of estrogen dependent genes. ","Pharmacodynamics":"","Absorption":"Absorbed following topical application.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04469","Name":"1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04470","Name":"CRA_10656","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04471","Name":"2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04472","Name":"(R)-1-Para-Nitro-Phenyl-2-Azido-Ethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04473","Name":"Alpha-L-Fucose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04474","Name":"1-Anilino-8-Naphthalene Sulfonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04476","Name":"Trencam-3,2-Hopo","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04477","Name":"N-1,2,3,4-Tetrahydronaphth-1-Yl-2'-[3,5-Dimethoxybenzamido]-2'-Deoxy-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a purine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Purine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04478","Name":"Cp-166572, 2-Hydroxymethyl-4-(4-N,N-Dimethylaminosulfonyl-1-Piperazino)-Pyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04479","Name":"4-Nitro-Inden-1-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indenes and isoindenes. These are compounds conaining an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohezadiene ring).","DirectParent":"Indenes and Isoindenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indenes and Isoindenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04480","Name":"3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04481","Name":"Meso-Erythritol","DrugType":"small molecule","HalfLife":"","Description":"A four-carbon sugar that is found in algae, fungi, and lichens. It is twice as sweet as sucrose and can be used as a coronary vasodilator. [PubChem]","Classification":{"Description":"This compound belongs to the sugar alcohols. These are hydrogenated forms of carbohydrate, whose carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.","DirectParent":"Sugar Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04482","Name":"Cmp-2-Keto-3-Deoxy-Octulosonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.","DirectParent":"Pyrimidine Nucleotide Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04483","Name":"2-Deoxy-2-Fluoro-Beta-D-Mannose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04484","Name":"L-Phenylalaninol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04485","Name":"Deoxythymidine","DrugType":"small molecule","HalfLife":"","Description":"Deoxythymidine is a pyrimidine deoxynucleoside. Deoxythymidine is the DNA nucleoside T, which pairs with deoxyadenosine (A) in double-stranded DNA. In cell biology it is used to synchronize the cells in S phase.","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00172","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00219","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00202","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00046","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]},{"ID":"SMP00178","Drugs":["DB00130","DB01373","DB01592","DB01593","DB02431","DB02745","DB02957","DB03107","DB03247","DB03419","DB03435","DB03685","DB04485"]}]},{"ID":"DB04486","Name":"(2s)-2,8-Diaminooctanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04487","Name":"N-Methylleucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04488","Name":"(6r,7r)-3-[(Acetyloxy)Methyl]-7-{[(6s)-6-(Glycylamino)-7-Oxido-7-Oxoheptanoyl]Amino}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Octane-2-Carboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04489","Name":"Guanidinoethylmercaptosuccinic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04490","Name":"3-(Mercaptomethylene)Pyridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04491","Name":"Diisopropylphosphono Group","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04492","Name":"2-(Acetylamino)-2-Deoxy-4-O-Sulfo-Alpha-D-Galactopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04493","Name":"Fructose-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04494","Name":"Mo(Vi)(=O)(Oh)2 Cluster","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.","DirectParent":"Transition Metal Oxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Organides","SubClass":"Transition Metal Oxides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04495","Name":"RU81843","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04496","Name":"4-Phospho-D-Erythronohydroxamic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04497","Name":"2'-Monophosphoadenosine-5'-Diphosphoribose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04498","Name":"Aspartate Semialdehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04499","Name":"R-Styrene Oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04500","Name":"4-acetamidobenzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04501","Name":"Camphane","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bicyclic monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.","DirectParent":"Bicyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04502","Name":"WRR-204","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04503","Name":"Sp-722","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04504","Name":"(3s)-2,3,4,5-Tetrahydropyridin-3-Amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms.","DirectParent":"Tetrahydropyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04505","Name":"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04506","Name":"Chlorophyll B","DrugType":"small molecule","HalfLife":"","Description":"A light, silvery, metallic element. It has the atomic symbol Mg, atomic number 12, and atomic weight 24.31. Its salts are essential in nutrition, being required for the activity of many enzymes, especially those concerned with oxidative phosphorylation. It is a component of both intra- and extracellular fluids and is excreted in the urine and feces. Deficiency causes irritability of the nervous system with tetany, vasodilation, convulsions, tremors, depression, and psychotic behavior. (From Dorland, 27th ed)","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04508","Name":"Methyl(6s)-1-Thio-L-Manno-Hexodialdo-6,2-Pyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04509","Name":"N-Methylnaloxonium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04510","Name":"3-Phosphoglyceric Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04511","Name":"N-Succinyl Methionine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04512","Name":"2-Isobutyl-3-Methoxypyrazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring.","DirectParent":"Methoxypyrazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04513","Name":"N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04514","Name":"Phosphoric Acid-2'-[2'-Deoxy-Uridine]Ester-5'-Guanosine Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04515","Name":"6-Deoxy-2-O-Methyl-Alpha-L-Galactopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04516","Name":"2-Deoxy-Glucitol-6-Phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04517","Name":"Dipyrromethane Cofactor","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyols. These are organic compounds containing more than one hydroxyl groups.","DirectParent":"Polyols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Polyols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04518","Name":"3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.","DirectParent":"2,4,5-trisubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04519","Name":"Caprylic acid","DrugType":"small molecule","HalfLife":"","Description":"Caprylic acid is the common name for the eight-carbon straight chain fatty acid known by the systematic name octanoic acid. It is found naturally in coconuts and breast milk. It is an oily liquid with a slightly unpleasant rancid-like smell that is minimally soluble in water.","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"Oral rat LD\u003csub\u003e50\u003c/sub\u003e: 10080 mg/kg. Intravenous mouse LD\u003csub\u003e50\u003c/sub\u003e: 600 mg/kg. Skin rabbit LD\u003csub\u003e50\u003c/sub\u003e: over 5000 mg/kg.","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00456","Drugs":["DB00121","DB02175","DB03166","DB03568","DB03600","DB04519","DB04524"]}]},{"ID":"DB04520","Name":"(3s,8ar)-3-(4-Hydroxybenzyl)Hexahydropyrrolo[1,2-a]Pyrazine-1,4-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dioxopiperazines. These are compounds containing a piperazine ring bearing two ketone groups.","DirectParent":"Dioxopiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Dioxopiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04521","Name":"GSHNA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04522","Name":"Phosphonoserine","DrugType":"small molecule","HalfLife":"","Description":"The phosphoric acid ester of serine. [PubChem]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04523","Name":"Tert-Butyl(1s)-1-Cyclohexyl-2-Oxoethylcarbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbamic acids and derivatives. These are compounds comprising the carbamic acid functional group or a derivative thereof.","DirectParent":"Carbamic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04524","Name":"Malonyl-Coenzyme A","DrugType":"small molecule","HalfLife":"","Description":"A coenzyme A derivative which plays a key role in the fatty acid synthesis in the cytoplasmic and microsomal systems. [PubChem]","Classification":{"Description":"This compound belongs to the acyl coas. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.","DirectParent":"Acyl CoAs","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00201","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00016","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00198","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00502","Drugs":["DB00121","DB00142","DB00161","DB03107","DB03766","DB04524"]},{"ID":"SMP00196","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00334","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00558","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00060","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00456","Drugs":["DB00121","DB02175","DB03166","DB03568","DB03600","DB04519","DB04524"]},{"ID":"SMP00212","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]},{"ID":"SMP00559","Drugs":["DB00119","DB00121","DB00143","DB01345","DB01593","DB01819","DB01839","DB03066","DB03166","DB04524"]}]},{"ID":"DB04525","Name":"2-(Carboxymethoxy)-5-[(2s)-2-({(2s)-2-[(3-Carboxypropanoyl)Amino] -3-Phenylpropanoyl}Amino)-3-Oxo-3-(Pentylamino)Propyl]Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04526","Name":"L-Glycero-D-Manno-Heptopyranose","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the heptoses. These are monosaccharides in which the sugar unit is an heptose.","DirectParent":"Heptoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04527","Name":"Beta-Hydroxyasparagine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04528","Name":"2,4-Dinitrophenol","DrugType":"small molecule","HalfLife":"","Description":"A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed)","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04529","Name":"Desvancosaminyl Vancomycin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic glycopeptides and derivatives. These are compounds containing a a carbohydrate covalently attached to a the backbone of a cyclic peptide.","DirectParent":"Cyclic Glycopeptides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04530","Name":"S,S-(2-Hydroxyethyl)Thiocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04531","Name":"Benzylcysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04532","Name":"Indole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04533","Name":"2-Amino-P-Cresol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.","DirectParent":"Para Cresols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04534","Name":"5-Nitroindazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04537","Name":"L-Tryptophanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04538","Name":"2s,3s-3-Methylaspartic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04539","Name":"Glyphosate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04540","Name":"Cholesterol","DrugType":"small molecule","HalfLife":"","Description":"The principal sterol of all higher animals, distributed in body tissues, especially the brain and spinal cord, and in animal fats and oils. [PubChem]","Classification":{"Description":"This compound belongs to the cholesterols and derivatives. These are compounds containing an hydroxylated chloestane moeity.","DirectParent":"Cholesterols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Cholesterols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00371","Drugs":["DB00396","DB04540"]},{"ID":"SMP00577","Drugs":["DB00396","DB04540"]},{"ID":"SMP00372","Drugs":["DB00396","DB04540"]},{"ID":"SMP00578","Drugs":["DB00396","DB04540"]},{"ID":"SMP00566","Drugs":["DB00396","DB04540"]},{"ID":"SMP00130","Drugs":["DB00396","DB04540"]},{"ID":"SMP00373","Drugs":["DB00396","DB04540"]},{"ID":"SMP00576","Drugs":["DB00396","DB04540"]},{"ID":"SMP00717","Drugs":["DB00396","DB04540"]},{"ID":"SMP00575","Drugs":["DB00396","DB04540"]},{"ID":"SMP00718","Drugs":["DB00396","DB04540"]},{"ID":"SMP00387","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00131","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00386","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00508","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00389","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00511","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00023","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00095","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00111","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00388","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00209","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00509","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00319","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00510","Drugs":["DB00169","DB01592","DB02552","DB04540"]},{"ID":"SMP00119","Drugs":["DB00169","DB01095","DB01592","DB02552","DB04540"]},{"ID":"SMP00107","Drugs":["DB00169","DB00399","DB01592","DB02552","DB04540"]},{"ID":"SMP00082","Drugs":["DB00169","DB00641","DB01592","DB02552","DB04540"]},{"ID":"SMP00092","Drugs":["DB00169","DB01098","DB01592","DB02552","DB04540"]},{"ID":"SMP00117","Drugs":["DB00169","DB00282","DB01592","DB02552","DB04540"]},{"ID":"SMP00099","Drugs":["DB00169","DB00227","DB01592","DB02552","DB04540"]},{"ID":"SMP00079","Drugs":["DB00169","DB00710","DB01592","DB02552","DB04540"]},{"ID":"SMP00089","Drugs":["DB00169","DB00175","DB01592","DB02552","DB04540"]},{"ID":"SMP00112","Drugs":["DB00169","DB00884","DB01592","DB02552","DB04540"]},{"ID":"SMP00314","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00720","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00318","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00315","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00317","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00035","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]},{"ID":"SMP00316","Drugs":["DB00145","DB01592","DB01956","DB02659","DB03619","DB04348","DB04540"]}]},{"ID":"DB04541","Name":"(8ar)-Hexahydropyrrolo[1,2-a]Pyrazine-1,4-Dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dioxopiperazines. These are compounds containing a piperazine ring bearing two ketone groups.","DirectParent":"Dioxopiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Dioxopiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04542","Name":"3'-Azido-3'-Deoxythymidine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.","DirectParent":"Pyrimidine Deoxyribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04543","Name":"2,6-Diamino-8-(1h-Imidazol-2-Ylsulfanylmethyl)-3h-Quinazoline-4-One","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04544","Name":"1-Deoxy-1-Acetylamino-Beta-D-Gluco-2-Heptulopyranosonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycoamino acids and derivatives. These are saccharides attached to a single amino acid by any kind of covalent bond. A glycosyl-amino-acid is a compound consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.","DirectParent":"Glycoamino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04545","Name":"(3r,4r,5r)-5-(Hydroxymethyl)Piperidine-3,4-Diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04546","Name":"3-Deaza-Adenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04547","Name":"Inhibitor Bea409","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04548","Name":"4-Deoxy-D-Glucuronic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04549","Name":"4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04550","Name":"Delta-Bis(2,2'-Bipyridine)Imidazole Osmium (Ii)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04551","Name":"Fructose-1,6-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04552","Name":"Niflumic Acid","DrugType":"small molecule","HalfLife":"2.5 hours","Description":"An analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis. [PubChem]","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.","DirectParent":"Pyridinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"Used in the treatment of rheumatoid arthritis.","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 350 mg/kg; Oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 250 mg/kg","MechanismOfAction":"Niflumic acid is able to inhibit both phospholipase A2 as well as COX-2, thereby acting as an antiinflamatory and pain reduction agent.","Pharmacodynamics":"Niflumic acid, a nonsteroidal anti-inflammatory fenamate, is a Ca\u003csup\u003e2+\u003c/sup\u003e-activated Cl\u003csup\u003e-\u003c/sup\u003e channel blocker.","Absorption":"Well absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04553","Name":"2-Oxobutanoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00029","Drugs":["DB00133","DB00160","DB00640","DB02345","DB04553"]},{"ID":"SMP00455","Drugs":["DB00133","DB00151","DB04553"]},{"ID":"SMP00452","Drugs":["DB00121","DB00156","DB04553"]},{"ID":"SMP00514","Drugs":["DB00133","DB00151","DB04553"]},{"ID":"SMP00515","Drugs":["DB00133","DB00151","DB04553"]},{"ID":"SMP00033","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00004","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00214","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00341","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00244","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00485","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00222","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00223","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00242","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00340","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00570","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00177","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00179","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00484","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]},{"ID":"SMP00221","Drugs":["DB00116","DB00118","DB00133","DB00134","DB00145","DB00151","DB00640","DB01345","DB01593","DB01917","DB02238","DB03566","DB04193","DB04553"]},{"ID":"SMP00721","Drugs":["DB00116","DB00118","DB00119","DB00133","DB00134","DB00142","DB00145","DB00148","DB00151","DB00160","DB01593","DB02951","DB02957","DB04343","DB04553"]}]},{"ID":"DB04554","Name":"8-Bromoadenosine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Purine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04555","Name":"Cytidine-5'-Diphosphate","DrugType":"small molecule","HalfLife":"","Description":"Cytidine 5\u0026#39;-(trihydrogen diphosphate). A cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. Synonyms: CRPP; cytidine pyrophosphate. [PubChem]","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Diphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04556","Name":"3-[(1s)-1-(Dimethylamino)Ethyl]Phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04557","Name":"Arachidonic Acid","DrugType":"small molecule","HalfLife":"","Description":"An unsaturated, essential fatty acid. It is found in animal and human fat as well as in the liver, brain, and glandular organs, and is a constituent of animal phosphatides. It is formed by the synthesis from dietary linoleic acid and is a precursor in the biosynthesis of prostaglandins, thromboxanes, and leukotrienes. [PubChem]","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":[{"ID":"SMP00358","Drugs":["DB01109","DB01373","DB01593","DB04557"]},{"ID":"SMP00018","Drugs":["DB00132","DB00159","DB01373","DB04557"]},{"ID":"SMP00120","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00353","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00075","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00116","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557"]},{"ID":"SMP00695","Drugs":["DB00142","DB00143","DB01373","DB01593","DB01628","DB04557"]},{"ID":"SMP00700","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557","DB06725"]},{"ID":"SMP00707","Drugs":["DB00142","DB00143","DB01373","DB01399","DB01593","DB04557"]},{"ID":"SMP00098","Drugs":["DB00142","DB00143","DB00465","DB01373","DB01593","DB04557"]},{"ID":"SMP00102","Drugs":["DB00142","DB00143","DB00963","DB01373","DB01593","DB04557"]},{"ID":"SMP00109","Drugs":["DB00142","DB00143","DB00784","DB01373","DB01593","DB04557"]},{"ID":"SMP00083","Drugs":["DB00142","DB00143","DB00945","DB01373","DB01593","DB04557"]},{"ID":"SMP00085","Drugs":["DB00142","DB00143","DB01009","DB01373","DB01593","DB04557"]},{"ID":"SMP00093","Drugs":["DB00142","DB00143","DB00586","DB01373","DB01593","DB04557"]},{"ID":"SMP00113","Drugs":["DB00142","DB00143","DB00991","DB01373","DB01593","DB04557"]},{"ID":"SMP00696","Drugs":["DB00142","DB00143","DB00573","DB01373","DB01593","DB04557"]},{"ID":"SMP00701","Drugs":["DB00142","DB00143","DB00812","DB01373","DB01593","DB04557"]},{"ID":"SMP00703","Drugs":["DB00142","DB00143","DB01373","DB01401","DB01593","DB04557"]},{"ID":"SMP00708","Drugs":["DB00142","DB00143","DB01373","DB01398","DB01593","DB04557"]},{"ID":"SMP00077","Drugs":["DB00142","DB00143","DB00554","DB01373","DB01593","DB04557"]},{"ID":"SMP00087","Drugs":["DB00142","DB00143","DB00533","DB01373","DB01593","DB04557"]},{"ID":"SMP00106","Drugs":["DB00142","DB00143","DB00814","DB01373","DB01593","DB04557"]},{"ID":"SMP00693","Drugs":["DB00142","DB00143","DB01373","DB01419","DB01593","DB04557"]},{"ID":"SMP00698","Drugs":["DB00142","DB00143","DB01373","DB01397","DB01593","DB04557"]},{"ID":"SMP00705","Drugs":["DB00142","DB00143","DB01373","DB01593","DB01600","DB04557"]},{"ID":"SMP00710","Drugs":["DB00142","DB00143","DB00316","DB01373","DB01593","DB04557"]},{"ID":"SMP00084","Drugs":["DB00142","DB00143","DB00749","DB01373","DB01593","DB04557"]},{"ID":"SMP00086","Drugs":["DB00142","DB00143","DB01373","DB01593","DB03435","DB04557"]},{"ID":"SMP00094","Drugs":["DB00142","DB00143","DB00605","DB01373","DB01593","DB04557"]},{"ID":"SMP00114","Drugs":["DB00142","DB00143","DB00461","DB01373","DB01593","DB04557"]},{"ID":"SMP00697","Drugs":["DB00142","DB00143","DB00712","DB01373","DB01593","DB04557"]},{"ID":"SMP00702","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557","DB06802"]},{"ID":"SMP00704","Drugs":["DB00142","DB00143","DB00500","DB01373","DB01593","DB04557"]},{"ID":"SMP00709","Drugs":["DB00142","DB00143","DB00936","DB01373","DB01593","DB04557"]},{"ID":"SMP00096","Drugs":["DB00142","DB00143","DB01373","DB01593","DB03435","DB04557"]},{"ID":"SMP00101","Drugs":["DB00142","DB00143","DB00870","DB01373","DB01593","DB04557"]},{"ID":"SMP00104","Drugs":["DB00142","DB00143","DB00328","DB01373","DB01593","DB04557"]},{"ID":"SMP00289","Drugs":["DB00142","DB00143","DB00861","DB01373","DB01593","DB04557"]},{"ID":"SMP00692","Drugs":["DB00142","DB00143","DB01373","DB01435","DB01593","DB04557"]},{"ID":"SMP00694","Drugs":["DB00142","DB00143","DB00821","DB01373","DB01593","DB04557"]},{"ID":"SMP00699","Drugs":["DB00142","DB00143","DB01283","DB01373","DB01593","DB04557"]},{"ID":"SMP00706","Drugs":["DB00142","DB00143","DB00469","DB01373","DB01593","DB04557"]}]},{"ID":"DB04558","Name":"Phenylmercury","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04559","Name":"N-(Chlorophenyl)-N'-Hydroxyguanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04560","Name":"4,7-Dioxosebacic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.","DirectParent":"Medium-chain Keto Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Medium-chain Keto Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04561","Name":"4-Acetamido-2,4-Didexoy-D-Glycero-Beta-D-Galacto-Octopyranosylphosphonic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nonoses. These are monosaccahride compounds in which the sugar moiety is an octose (9 carbon atoms).","DirectParent":"Nonoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04562","Name":"Tricarballylic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04563","Name":"CRA_9678","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04564","Name":"Gluconolactone","DrugType":"small molecule","HalfLife":"","Description":"Gluconolactone is a naturally-occurring food additive used as a sequestrant, an acidifier, or a curing, pickling, or leavening agent. It is a cyclic ester of D-gluconic acid. Pure gluconolactone is a white odorless crystalline powder.","Classification":{"Description":"This compound belongs to the gluconolactones. These are polyhydroxy acids containing a gluconolactone molecule, which is characterized by a tetrahydropyran substituted by three hydroxyl groups, one ketone group, and one hydroxymethyl group.","DirectParent":"Gluconolactones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04565","Name":"4-(Acetylamino)-3-[(Hydroxyacetyl)Amino]Benzoic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04566","Name":"Inosinic Acid","DrugType":"small molecule","HalfLife":"","Description":"Inosine 5\u0026#39;-Monophosphate. A purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety. [PubChem]","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04567","Name":"Chromophore (Gly-Tyr-Gly)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04568","Name":"5-Aminoimidazole Ribonucleoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazole nucleosides and nucleotides. These are organic compounds in which the C-1 of a ribosyl moiety is N-linked to an imidazole ring. This class does not contain benzimidazole nucleosides and nucleotides.","DirectParent":"Imidazole Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04569","Name":"Formic Acid Benzyl Ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.","DirectParent":"Benzyloxycarbonyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyloxycarbonyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04570","Name":"Latamoxef","DrugType":"small molecule","HalfLife":"1.6 hours","Description":"Broad- spectrum beta-lactam antibiotic similar in structure to the cephalosporins except for the substitution of an oxaazabicyclo moiety for the thiaazabicyclo moiety of certain cephalosporins. It has been proposed especially for the meningitides because it passes the blood-brain barrier and for anaerobic infections. [PubChem]","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Latamoxef is an oxacephem antibiotic usually grouped with the cephalosporins. It is used to treat bacterial infections. Latamoxef is primarily indicated in conditions like Bone and joint infection, GI infections, Gynecological infections, Meningitis, Respiratory tract infections, Septicaemia, Skin infections, Soft tissue infections, UTI. ","Toxicity":"Latamoxef produces potentially life-threatening effects which include Bleeding, Hypothrombinemia, Platelet dysfunctioning. which are responsible for the discontinuation of Latamoxef therapy.\r\nThe symptomatic adverse reactions produced by Latamoxef are more or less tolerable and if they become severe, they can be treated symptomatically, these include Diarrhea, Skin rashes, Hematuria, Hyperuricemia, Pyuria, Raised serum creatinine.\r\n","MechanismOfAction":"Penicillins acylate the penicillin-sensitive transpeptidase C-terminal domain (the penicillin-binding protein) by opening the lactam ring. This inactivation of the enzyme prevents the formation of a cross-link of two linear peptidoglycan strands, inhibiting the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that amoxicllin interferes with an autolysin inhibitor.","Pharmacodynamics":"Latamoxef works by inhibiting bacterial cell wall biosynthesis.","Absorption":"Rapidly absorbed after oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04571","Name":"Trioxsalen","DrugType":"small molecule","HalfLife":"","Description":"Trioxsalen (trimethylpsoralen, trioxysalen or trisoralen) is a furanocoumarin and a psoralen derivative. It is obtained from several plants, mainly Psoralea corylifolia. Like other psoralens it causes photosensitization of the skin. It is administered either topically or orally in conjunction with UV-A (the least damaging form of ultraviolet light) for phototherapy treatment of vitiligo[1] and hand eczema.[2] After photoactivation it creates interstrand cross-links in DNA, which can cause programmed cell death unless repaired by cellular mechanisms. In research it can be conjugated to dyes for confocal microscopy and used to visualize sites of DNA damage.[3] The compound is also being explored for development of antisense oligonucleotides that can be cross-linked specifically to a mutant mRNA sequence without affecting normal transcripts differing at even a single base pair.","Classification":{"Description":"This compound belongs to the linear furanocoumarins. These are furanocoumarins, whose structure is characterized by a furan ring linearly fused to a coumarin.","DirectParent":"Linear Furanocoumarins","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":"Furanocoumarins"},"Indication":"Trioxsalen is a pigmenting photosensitizing agent used in conjunction with ultraviolet light in the treatment of vitiligo.","Toxicity":"","MechanismOfAction":"After photoactivation it creates interstrand cross-links in DNA, which can cause programmed cell death.","Pharmacodynamics":"Trioxsalen ispharmacologically inactive but when exposed to ultraviolet radiation or sunlight it is converted to its active metabolite to produce a beneficial reaction affecting the diseased tissue.","Absorption":"","Interactions":[{"ID":"DB01320"},{"ID":"DB00252"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04572","Name":"Thiotepa","DrugType":"small molecule","HalfLife":"1.5 to 4.1 hours","Description":"N,N'N'-triethylenethiophosphoramide (ThioTEPA) is a cancer chemotherapeutic member of the alkylating agent group, now in use for over 50 years. It is a stable derivative of N,N',N''- triethylenephosphoramide (TEPA). It is mostly used to treat breast cancer, ovarian cancer and bladder cancer. It is also used as conditioning for Bone marrow transplantation. Its main toxicity is myelosuppression.","Classification":{"Description":"This compound belongs to the aziridines. These are organic compounds containing a saturated three-member heterocycle with one amino group and two methylene groups.","DirectParent":"Aziridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Aziridines","SubClass":""},"Indication":"ThioTEPA is used a as conditioning treatment prior to allogeneic or autologous haematopoietic progenitor cell transplantation (HPCT) in haematological diseases in adult and paediatric patients. Also, when high dose chemotherapy with HPCT support it is appropriate for the treatment of solid tumours in adult and paediatric patients.","Toxicity":"","MechanismOfAction":"The alkyl group is attached to the guanine base of DNA, at the number 7 nitrogen atom of the imidazole ring. They stop tumor growth by crosslinking guanine nucleobases in DNA double-helix strands, directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. These drugs act nonspecifically.","Pharmacodynamics":"The unstable nitrogen-carbon groups alkylate with DNA causing irrepairable DNA damage. They stop tumor growth by crosslinking guanine nucleobases in DNA double-helix strands, directly attacking DNA. This makes the strands unable to uncoil and separate. As this is necessary in DNA replication, the cells can no longer divide. These drugs act nonspecifically.","Absorption":"","Interactions":[{"ID":"DB06769"},{"ID":"DB01156"},{"ID":"DB00531"},{"ID":"DB01320"},{"ID":"DB00762"},{"ID":"DB01221"},{"ID":"DB00108"},{"ID":"DB00252"},{"ID":"DB01069"},{"ID":"DB01037"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04573","Name":"Estriol","DrugType":"small molecule","HalfLife":"","Description":"A hydroxylated metabolite of estradiol or estrone that has a hydroxyl group at C3-beta, 16-alpha, and 17-beta position. Estriol is a major urinary estrogen. During pregnancy, large amount of estriol is produced by the placenta. Isomers with inversion of the hydroxyl group or groups are called epiestriol. Though estriol is used as part of the primarily North American phenomenon of bioidentical hormone replacement therapy, it is not approved for use by the FDA or Health Canada. It is however available in the United States by prescription filled only by compounding pharmacies. It has also been approved and marketed throughout Europe and Asia for approximately 40 years for the treatment of post-menopausal hot flashes.","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"Used as a test to determine the general health of an unborn fetus.","Toxicity":"ORAL (LD50): Acute: \u003e2000 mg/kg [Rat].","MechanismOfAction":"Estriol levels can be measured to give an indication of the general health of the fetus. DHEA-S is produced by the adrenal cortex of the fetus. This is converted to estriol by the placenta. If levels of \"unconjugated estriol\" are abnormally low in a pregnant woman, this may indicate a problem with the development of the child. The drug interacts with a target cell receptor. When the estrogen receptor has bound its ligand it can enter the nucleus of the target cell, and regulate gene transcription which leads to formation of messenger RNA. The mRNA interacts with ribosomes to produce specific proteins that express the effect of estriol upon the target cell. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary.","Pharmacodynamics":"Estriol (also oestriol) is one of the three main estrogens produced by the human body. It is only produced in significant amounts during pregnancy as it is made by the placenta. In pregnant women with multiple sclerosis (MS), estriol reduces the disease's symptoms noticeably, according to researchers at UCLA's Geffen Medical School.","Absorption":"","Interactions":[{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00481"}],"Salts":[{"ID":"DBSALT000069","Name":"Estriol tripropionate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB04574","Name":"Estropipate","DrugType":"small molecule","HalfLife":"","Description":"Estropipate is a form of estrogen. It has several uses such as: Alleviate symptoms of menopause as hormone replacement therapy, treatment some types of infertility, treatment of some conditions leading to underdevelopment of female sexual characteristics,treatment of vaginal atrophy,treatment of some types of breast cancer (particularly in men and postmenopausal women), treatment of prostate cancer and prevention of osteoporosis.\r\n","Classification":{"Description":"This compound belongs to the sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.","DirectParent":"Sulfated Steroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Sulfated Steroids"},"Indication":"Estropipate is used for the treatment of moderate to severe vasomotor symptoms associated with the monopause, and moderate to severe symptoms of vulval and vaginal atrophy associated with the menopause. It is also used to treat hypoestrogenism due to hypogonadism, castration or primary ovarian failure, and prevent postmenopausal osteoporosis.","Toxicity":"","MechanismOfAction":"Estradiol enters target cells freely (e.g., female organs, breasts, hypothalamus, pituitary) and interacts with a target cell receptor. When the estrogen receptor has bound its ligand it can enter the nucleus of the target cell, and regulate gene transcription which leads to formation of messenger RNA. The mRNA interacts with ribosomes to produce specific proteins that express the effect of estradiol upon the target cell. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary.","Pharmacodynamics":"Estropipate is an estrogenic substance. It acts as naturally produced estrogen does. Estrogens act through binding to nuclear receptors in estrogen-responsive tissues. Circulating estrogens modulate the pituitary secretion of the gonadotropins, luteinizing hormone (LH) and follicle stimulating hormone (FSH), through a negative feedback mechanism. Estrogens act to reduce the elevated levels of these hormones seen in postmenopausal women.","Absorption":"Estropipate is well absorbed through the skin and gastrointestinal tract. When applied for a local action, absorption is usually sufficient to cause systemic effects.","Interactions":[{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"},{"ID":"DB00481"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04575","Name":"Quinestrol","DrugType":"small molecule","HalfLife":"","Description":"The 3-cyclopentyl ether of ethinyl estradiol.","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"Used in hormone replacement therapy, treating symptoms of menopause such as hot flashes. Also used to treat breast and prostate cancer.","Toxicity":"Symptoms of overdose include nausea and vomiting, and withdrawal bleeding may occur in females.","MechanismOfAction":"Estrogens diffuse into their target cells and interact with a protein receptor (the estrogen receptor). Estrogen interacts with a target cell receptor. When the estrogen receptor has bound its ligand it can enter the nucleus of the target cell, and regulate gene transcription which leads to formation of messenger RNA. The mRNA interacts with ribosomes to produce specific proteins that express the effect of estradiol upon the target cell. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH).","Pharmacodynamics":"Quinestrol is the 3-cyclopentyl ether of ethinyl estradiol (the active metabolite). After gastrointestinal absorption, it is stored in adipose tissue where it is slowly released and metabolized principally to the parent compound, ethinyl estradiol. Ethinyl estradiol is a synthetic derivative of the natural estrogen estradiol.","Absorption":"Absorbed following oral administration.","Interactions":[{"ID":"DB01320"},{"ID":"DB00400"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00860"},{"ID":"DB00635"},{"ID":"DB00794"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04576","Name":"Fleroxacin","DrugType":"small molecule","HalfLife":"","Description":"Fleroxacin is a broad-spectrum antimicrobial fluoroquinolone. It strongly inhibits the DNA-supercoiling activity of DNA gyrase.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Fleroxacin is a broad-spectrum antimicrobial fluoroquinolone.","Toxicity":"","MechanismOfAction":"The inhibition of DNA gyrase and DNA topoisomerase 2 leads ultimately to cell death as these enzymes are required for bacterial DNA replication, transcription, repair, strand supercoiling repair, and recombination.","Pharmacodynamics":"Fleroxacin is a broad-spectrum antimicrobial fluoroquinolone. It strongly inhibits the DNA-supercoiling activity of DNA gyrase.","Absorption":"Rapidly and well absorbed from the gastrointestinal tract after oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04577","Name":"1-(1-phenylcyclopentyl)methylamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04578","Name":"(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04579","Name":"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04580","Name":"1-Methyl-2-quinolone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04581","Name":"1-benzylimidazole","DrugType":"small molecule","HalfLife":"","Description":"1-benzylimidazole, an N-imidazole derivative, has been shown to have strong cardiotonic activity.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04582","Name":"IMAZAQUIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04583","Name":"5-(AMINOCARBONYL)-1,1':4',1''-TERPHENYL-3-CARBOXYLICACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-terphenyls. These are terphenyls whose structure contains the 1,4-diphenylbenzene skeleton.","DirectParent":"p-Terphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Terphenyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04584","Name":"Phenyldehydroalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04585","Name":"DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04586","Name":"2-bromophenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-bromophenols.","DirectParent":"o-Bromophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 652 mg/kg","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04587","Name":"2'-O-BUTYL-5-METHYLURIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04588","Name":"N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04590","Name":"(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04591","Name":"N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04592","Name":"3-Bromo-3-buten-1-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04593","Name":"3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04594","Name":"3-hydroxyglutaric acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.","DirectParent":"Beta Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Beta Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04595","Name":"(E)-(4S,6S)-8-METHYL-6-((S)-3-METHYL-2-{(S)-2-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID BENZYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04596","Name":"4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE-(1-\u003e4)-BETA-D-GLUCURONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glucuronic acid derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.","DirectParent":"Glucuronic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04597","Name":"[4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE]","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranodioxins. These are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring.","DirectParent":"Pyranodioxins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyranodioxins","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04598","Name":"2-AMINO-4-CHLORO-3-HYDROXYBENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04599","Name":"Aniracetam","DrugType":"small molecule","HalfLife":"1-2.5 hours","Description":"Compound with anti-depressive properties used as a mental performance enhancer.\r\n","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Aniracetam possesses a wide range of anxiolytic properties, which may be mediated by an interaction between cholinergic, dopaminergic and serotonergic systems.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04600","Name":"4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of an hydrazide substituent attacthed to a phenyl group.","DirectParent":"Phenylhydrazines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylhydrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04601","Name":"4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of an hydrazide substituent attacthed to a phenyl group.","DirectParent":"Phenylhydrazines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylhydrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04602","Name":"PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04603","Name":"2'-DEOXY-5-FORMYLCYTIDINE-5'-MONOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04604","Name":"5-iodotubercidin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04605","Name":"5-Aminoisoquinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04606","Name":"2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04607","Name":"PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04608","Name":"9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolocarbazoles. These are compounds containing a pyrrolocarbazole moiety, which is a tetracyclic heterocycle which consists of a pyrrole ring fused to a carbazole.","DirectParent":"Pyrrolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04609","Name":"INHIBITOR Q8467 OF DUPONT MERCK","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04610","Name":"7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.","DirectParent":"Pterins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04612","Name":"N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04613","Name":"(E)-(4S,6S)-6-((S)-2-{(S)-2-[(FURAN-2-CARBONYL)-AMINO]-3-METHYL-BUTYRYLAMINO}-3-METHYL-BUTYRYLAMINO)-8-METHYL-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID ETHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04614","Name":"(R)-tacrine(10)-hupyridone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04615","Name":"(S)-tacrine(10)-hupyridone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04616","Name":"TACRINE(8)-4-AMINOQUINOLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04617","Name":"(9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04618","Name":"4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1-\u003e4)HEXOPYRANOSYL-(1-\u003e4)HEXOPYRANOSE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04619","Name":"ACETOPHENONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04620","Name":"Cycloleucine","DrugType":"small molecule","HalfLife":"","Description":"Cycloleucine is an amino acid formed by cyclization of leucine. Cycloleucine is a non-metabolisable amino acid and is a specific and reversible inhibitor of nucleic acid methylation, and as such is widely used in biochemical experiments. [Wikipedia]","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"Oral, mouse: LD\u003csub\u003e50\u003c/sub\u003e = 309 mg/kg; oral, rat: LD\u003csub\u003e50\u003c/sub\u003e = 290 mg/kg","MechanismOfAction":"","Pharmacodynamics":"Cycloleucine has cytostatic, immunosuppressive and antineoplastic activities.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04622","Name":"N-ACETYLHISTAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.","DirectParent":"Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04623","Name":"2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04624","Name":"DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring.","DirectParent":"Anthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04626","Name":"Apramycin","DrugType":"small molecule","HalfLife":"","Description":"Apramycin is an aminoglycoside antibiotic and has a bactericidal action against many gram-negative bacteria. Apramycin is a structurally unique antibiotic that contains a bicyclic sugar moiety and a monosubstituted deoxystreptamine. It is not approved for use in humans.","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"For the treatment of bacterial infections in animals.","Toxicity":"","MechanismOfAction":"Apramycin stands out among aminoglycosides for its mechanism of action which is based on blocking translocation and its ability to bind also to the eukaryotic decoding site despite differences in key residues required for apramycin recognition by the bacterial target. The drug binds in the deep groove of the RNA which forms a continuously stacked helix comprising non-canonical C.A and G.A base pairs and a bulged-out adenine. The binding mode of apramycin at the human decoding-site RNA is distinct from aminoglycoside recognition of the bacterial target, suggesting a molecular basis for the actions of apramycin in eukaryotes and bacteria.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00864"}],"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04627","Name":"Cyclouridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04628","Name":"Allosamidin","DrugType":"small molecule","HalfLife":"","Description":"Allosamidin exhibits extremely potent inhibitory activity against chitinases from a number of sources, particularly from \u003ci\u003eCandida albicans\u003c/i\u003e, and can be utilized as potent antifungal agent.","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04629","Name":"Aplyronine A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04630","Name":"Aldosterone","DrugType":"small molecule","HalfLife":"","Description":"A hormone secreted by the adrenal cortex that regulates electrolyte and water balance by increasing the renal retention of sodium and the excretion of potassium. [PubChem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"At the late distal tubule and collecting duct, aldosterone has two main actions: 1) aldosterone acts on mineralocorticoid receptors (MR) on principal cells in the distal tubule of the kidney nephron, increasing the permeability of their apical (luminal) membrane to potassium and sodium and activates their basolateral Na+/K+ pumps, stimulating ATP hydrolysis leading to phosphorylation of the pump and a conformational change in the pump exposes the Na+ ions to the outside. The phosphorylated form of the pump has a low affinity for Na+ ions, hence reabsorbing sodium (Na+) ions and water into the blood, and secreting potassium (K+) ions into the urine; 2) aldosterone stimulates H+ secretion by intercalated cells in the collecting duct, regulating plasma bicarbonate (HCO3−) levels and its acid/base balance; and 3) aldosterone may act on the central nervous system via the posterior pituitary gland to release vasopressin (ADH) which serves to conserve water by direct actions on renal tubular resorption.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04631","Name":"Atpenin A5","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinones. These are compounds containing a pyridine ring, which bears a ketone.","DirectParent":"Pyridinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04632","Name":"4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04633","Name":"N-ethyl-N-[3-(propylamino)propyl]propane-1,3-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04634","Name":"N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04636","Name":"Glutamine t-butyl ester","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04637","Name":"6-Bromo-1-hexanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04638","Name":"2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04639","Name":"Biphenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04640","Name":"Naphthalene-2,6-disulfonic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04641","Name":"3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04642","Name":"7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04643","Name":"4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04644","Name":"4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04645","Name":"5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04646","Name":"Dibromothymoquinone","DrugType":"small molecule","HalfLife":"","Description":"At low concentrations, this compound inhibits reduction of conventional hydrophilic electron acceptors, probably acting as a plastoquinone antagonist. At higher concentrations, it acts as an electron acceptor, intercepting electrons either before or at the site of its inhibitory activity. [PubChem]","Classification":{"Description":"This compound belongs to the p-quinones.","DirectParent":"p-Quinones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04647","Name":"BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04648","Name":"S-propylamine-L-cysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom.","DirectParent":"1,2-Aminoalcohols","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Alkanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04649","Name":"TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.","DirectParent":"Pyranoid Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04650","Name":"5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.","DirectParent":"Biotin and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Biotin and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04651","Name":"BIOTINOL-5-AMP","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04652","Name":"(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE","DrugType":"small molecule","HalfLife":"","Description":"An adrenocortical steroid that has modest but significant activities as a mineralocorticoid and a glucocorticoid. (From Goodman and Gilman\u0026#39;s The Pharmacological Basis of Therapeutics, 8th ed, p1437)","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04653","Name":"CBZ-LEU-LEU-TYR-CH2F","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04654","Name":"4-PIPERIDIN-4-YLBUTANAL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04655","Name":"METOPRINE, METHODICHLOROPHEN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04656","Name":"1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)-CYCLOHEXANE-1-CARBOXYLIC A CID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), whis is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.","DirectParent":"Quinic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04657","Name":"Carboxin","DrugType":"small molecule","HalfLife":"","Description":"A systemic agricultural fungicide and seed treatment agent.","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04658","Name":"(1S,2R,3S,4R,5S)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,4-TETROL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms.","DirectParent":"Cyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04659","Name":"(1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclitols and derivatives. These are compounds containing a cycloalkane moiety with one hydroxyl group on each of three or more ring atoms.","DirectParent":"Cyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04660","Name":"Glycerylphosphorylcholine","DrugType":"small molecule","HalfLife":"","Description":"A component of phosphatidylcholines (lecithins), in which the two hydroxy groups of glycerol are esterified with fatty acids. (From Stedman, 26th ed) It counteracts the effects of urea on enzymes and other macromolecules. [PubChem]","Classification":{"Description":"This compound belongs to the other glycerophosphocholines. These are glycerophosphocholines whose structure is based on either of the following skeletons","DirectParent":"Other Glycerophosphocholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04661","Name":"Cis-tetracosenoyl sulfatide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfatides. These are an hydrogen sulfate esters of glycosphingolipids.","DirectParent":"Sulfatides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Sphingolipids","SubClass":"Sulfatides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04662","Name":"OLOMOUCINE II","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04663","Name":"2-KETO-6-PHOSPHATE-D-GLUCONIC ACID, ALPHA-FURANOSE FORM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.","DirectParent":"Pentose Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04664","Name":"Cyclohexyl-pentyl-maltoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04665","Name":"2H-1-BENZOPYRAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04666","Name":"CHROMOPHORE (LYS-TYR-GLY)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04667","Name":"CHROMOPHORE (HIS-TYR-GLY)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04668","Name":"CHROMOPHORE (GLU-TYR-GLY)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04669","Name":"TRIAZOLOPYRIMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04671","Name":"L-CYSTEIN-S-1-(IMINOMETHYL)-L-ORNITHINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04672","Name":"cyclic 3',5'-thymidine monophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04673","Name":"4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPERAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Pyrimidinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04674","Name":"2-HYDROXY-3,5-DIIODOBENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the salicylic acids. These are ortho-hydroxylated benzoic acids.","DirectParent":"Salicylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04675","Name":"(2S,5R,8S,11R,12S,15S,18S,19S,E)-8-ISOBUTYL-18-((5S,6S)-6-METHOXY-3,5-DIMETHYL-7-PHENYLHEPTYL)-1,2,5,12,15,19-HEXAMETHYL-3,6,9,13,16,20,25-HEPTAOXO-1,4,7,10,14,17,21-HEPTAAZACYCLOPENTACOS-21-ENE-11,22-DICARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04676","Name":"Dansyllysine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04677","Name":"N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04678","Name":"H TYPE II TRISACCHARIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04679","Name":"H TYPE I TRISACCHARIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.","DirectParent":"N-acyl-alpha-hexosamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04680","Name":"GALACTOSE GREASE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04681","Name":"BETA-METHYLLACTOSIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04682","Name":"Octylphenoxy polyethoxyethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04683","Name":"(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (9E)-OCTADEC-9-ENOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylglycerols. These are glycerophosphoglycerols in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages.","DirectParent":"Phosphatidylglycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoglycerols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04684","Name":"BIS(HEXAMETHYLENE)TRIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04685","Name":"1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04686","Name":"CHROMOPHORE (ASP-TYR-GLY)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04687","Name":"DIMETHYL THIOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids and derivatives. These are organic compounds containing phosphonic acid or a derivative thereof.","DirectParent":"Organic Phosphonic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04688","Name":"ECGONINE METHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tropanes. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.","DirectParent":"Tropanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tropanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04689","Name":"2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04690","Name":"Camptothecin","DrugType":"small molecule","HalfLife":"","Description":"An alkaloid isolated from the stem wood of the Chinese tree, \u003ci\u003eCamptotheca acuminata\u003c/i\u003e. This compound selectively inhibits the nuclear enzyme DNA topoisomerase, type I. Several semisynthetic analogs of camptothecin have demonstrated antitumor activity. [PubChem]","Classification":{"Description":"This compound belongs to the camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).","DirectParent":"Camptothecins","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Camptothecins","SubClass":""},"Indication":"Investigated for the treatment of cancer.","Toxicity":"Acute oral toxicity (LD\u003csub\u003e50\u003c/sub\u003e) in mouse: 50.1 mg/kg\r\n","MechanismOfAction":"Camptothecin binds to the topoisomerase I and DNA complex (the covalent complex) resulting in a ternary complex, and thereby stabilizing it. This prevents DNA relegation and therefore causes DNA damage which results in apoptosis.","Pharmacodynamics":"Camptothecin demonstrated strong anticancer activity in preliminary clinical trials but also low solubility and adverse drug reaction. Camptothecin is believed to be a potent topoisomerase inhibitor that interferes with the essential function of topoisomerase in DNA replication.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04691","Name":"2'-O-[1-ETHYL-1H-IMIDAZOL)] THYMIDINE-5'-MONOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04692","Name":"(E)-(S)-4-[(S)-2-((S)-2-TERT-BUTOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-2-PHENYL-ACETYLAMINO]-5-(2-OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04693","Name":"(13S)-13-METHYLDODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17(2H,4H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04694","Name":"2,6-anhydro-3-deoxy-3-fluoronononic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.","DirectParent":"Sugar Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04695","Name":"FARNESYL THIOPYROPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04696","Name":"4-CHLORO-3',3''-DIBROMOPHENOL-1,8-NAPHTHALEIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04697","Name":"TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04698","Name":"N-(1,4-DIHYDRO-5H-TETRAZOL-5-YLIDENE)-9-OXO-9H-XANTHENE-2-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9.","DirectParent":"Xanthones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Dibenzopyrans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04699","Name":"4-Butyrolactone","DrugType":"small molecule","HalfLife":"","Description":"One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent. [PubChem]","Classification":{"Description":"This compound belongs to the lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.","DirectParent":"Lactones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactones","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04700","Name":"GLUTATHIONE SULFINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04701","Name":"S-METHYL-GLUTATHIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04702","Name":"S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGENTHIODIPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyclic monoterpenes. These are monoterpenes that do not contain a cycle.","DirectParent":"Acyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04703","Name":"HESPERIDIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04704","Name":"(3BETA,20R)-CHOLEST-5-ENE-3,20-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cholesterols and derivatives. These are compounds containing an hydroxylated chloestane moeity.","DirectParent":"Cholesterols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Cholesterols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04705","Name":"(3BETA)-CHOLEST-5-ENE-3,25-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cholesterols and derivatives. These are compounds containing an hydroxylated chloestane moeity.","DirectParent":"Cholesterols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Cholesterols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04706","Name":"(3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cholesterols and derivatives. These are compounds containing an hydroxylated chloestane moeity.","DirectParent":"Cholesterols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Cholesterols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04707","Name":"HYDROXYFASUDIL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04708","Name":"(S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04709","Name":"(3AALPHA,4ALPHA,7ALPHA,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitronaphthalenes. These are polycyclic aromatic compounds containing a naphthalene moiety substituted by one or more nitro groups.","DirectParent":"Nitronaphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04710","Name":"(E)-(S)-4-[(S)-4-METHYL-2-((S)-3-METHYL-2{(S)-2-[(5-METHYL-ISOXAZOLE-3- CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-PENTANOYLAMINO]-5-((S)-2- OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04711","Name":"Iodipamide","DrugType":"small molecule","HalfLife":"","Description":"Iodipamide is a water-soluble radiographic contrast media for cholecystography and intravenous cholangiography. [PubChem]","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"Iodipamide is used as a contrast agent for cholecystography and intravenous cholangiography.","Toxicity":"Ionic radiocontrast agents like iodipamide are cytotoxic to renal cells. The toxic effects include apoptosis, cellular energy failure, disruption of calcium homeostasis, and disturbance of tubular cell polarity, and are thought to be linked to oxidative stress. Acute IV LD50 is 5000 mg/kg in rat, 3195 mg/kg in mouse, and 1200 mg/kg in dog.\r\n\r\n","MechanismOfAction":"Organic iodine compounds block x-rays as they pass through the body, thereby allowing body structures containing iodine to be delineated in contrast to those structures that do not contain iodine. The degree of opacity produced by these iodinated organic compounds is directly proportional to the total amount (concentration and volume) of the iodinated contrast agent in the path of the x-rays. Iodipamide's primary excretion through the hepato-biliary system and concentration in bile allows visualization of the gallbladder and biliary ducts.","Pharmacodynamics":"Following intravenous administration of Cholografin Meglumine, iodipamide is carried to the liver where it is rapidly secreted. The contrast medium appears in the bile within 10 to 15 minutes after injection, thus permitting visualization of the hepatic and common bile ducts, even in cholecystectomized patients. The biliary ducts are readily visualized within about 25 minutes after administration, except in patients with impaired liver function. The gallbladder begins to fill within an hour after injection; maximum filling is reached after two to two and one-half hours. The contrast medium is finally eliminated in the feces without passing through the enterohepatic circulation, except for approximately 10 percent of the intravenously administered dose which is excreted through the kidneys.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04712","Name":"ANILINOMETHYL GLUCO-PHENYLIMIDAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04713","Name":"4-IODOPHENYLALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04714","Name":"ISOPENTENYL PYROPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene unit.","DirectParent":"Isoprenoid Phosphates","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Isoprenoid Phosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04715","Name":"IMIDAZOPYRIDAZIN 1","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04716","Name":"2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoquinolines. These are organic compounds containing a benzene fused to a quinoline ring system.","DirectParent":"Benzoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04717","Name":"2''-O-[N-(3-(aminopropyl)2-aminoethyl]paromomycin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04718","Name":"(2S,3S,4R,5R,6R)-5-Amino-2-(Aminomethyl)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-Diamino-2-((2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-6-hydroxycyclohexyloxy)-2-(hydroxymethyl)-4-(2-((R)-piperidin-3-ylmethylamin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04719","Name":"DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04720","Name":"S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04721","Name":"N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04722","Name":"2-(3-CHLORO-6-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-1-OXIDOPYRIDIN-2-YL)-N-[1-(3-CHLOROPHENYL)ETHYL]ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04723","Name":"2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04724","Name":"(S)-2-((S)-3-ISOBUTYL-2,5-DIOXO-4-QUINOLIN-3-YLMETHYL-[1,4]DIAZEPAN-1YL)-N-METHYL-3-NAPHTALEN-2-YL-PROPIONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04725","Name":"Licofelone","DrugType":"small molecule","HalfLife":"","Description":"Developed by the German pharmaceutical company, Merckle GmbH, together with EuroAlliance partners Alfa Wassermann and Lacer, licofelone (ML3000) is a dual COX/LOX inhibitor and the first member of this new class of analgesic and anti-inflammatory drugs. It is currently under evaluation as a treatment for osteoarthritis (OA), the most common form of arthritis. Although phase III trials have been successfully completed in OA patients no dates for regulatory submission have yet been given.","Classification":{"Description":"This compound belongs to the diphenylpyrroles. These are aromatic heterocyclic compounds whose structure is based on a pyrrole ring linked to exactly two phenyl groups.","DirectParent":"Diphenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"For the management of osteoarthritis.","Toxicity":"","MechanismOfAction":"Licofelone, through combined 5-LOX/COX-inhibition, reduces levels of inflammatory prostaglandins and leukotrienes.","Pharmacodynamics":"Licofelone belongs to a novel class of dual-acting anti-inflammatory drugs called COX/LO inhibitors. This group of drugs simultaneously inhibits the enzymes cyclooxygenase (COX) and 5-lipoxygenase (LO).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04726","Name":"7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, whose structure is characterized by an isoalloaxzine tricyclic ring.","DirectParent":"Flavins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Alloxazines and Isoalloxazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04727","Name":"N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04728","Name":"Lividomycin A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04729","Name":"GENTAMICIN C1A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04731","Name":"1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lysophosphatidylethanolamines. These are glycerophosphoetahnolamines (molecules containing an ethanolamine moiety attached to the phosphate group linked to a glycerol) with one fatty acid chain bonded to the glycerol moiety through an ester linkage.","DirectParent":"Lysophosphatidylethanolamines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoethanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04732","Name":"N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04733","Name":"1,6-DI-O-PHOSPHONO-D-MANNITOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.","DirectParent":"Monosaccharide Phosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04734","Name":"Citraconic acid","DrugType":"small molecule","HalfLife":"","Description":"Citraconic acid is one of the isomeric dicarboxylic acids produced by the distillation of citric acid, or as metabolites by microorganisms, cis-CH3-C(CO2H)=CHCO2H; the trans-isomer is mesaconic acid.","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04735","Name":"MONOGALACTOSYL-DIACYLGLYCEROL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycosylglycerols. These are glycerolipids structurally characterized by the presence of one or more sugar residues attached to glycerol via a glycosidic linkage.","DirectParent":"Glycosylglycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerolipids","SubClass":"Glycosylglycerols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04736","Name":"2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE(BETA1-4)-2-ACETAMIDO-1,6-ANHYDRO-3-O-[(R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSE-L-ALANYL-GAMMA-D-GLUTAMYL-MESO-DIAMINOPIMELYL-D-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the glycopeptides and derivatives. These are compounds in which a carbohydrate component is linked to a peptide/protein component.","DirectParent":"Glycopeptides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04737","Name":"(S)-HYDROXY(PHENYL)ACETONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.","DirectParent":"Benzyl Cyanides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyl Cyanides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04738","Name":"Motuporin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptoid-peptide hydrids. These are compounds containing a peptoid-peptide backbone, which consists alternating amino acid and n-substituted amino acids linked to each other by a peptide bond.","DirectParent":"Peptoid-Peptide Hydrids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04739","Name":"4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04740","Name":"MOXALACTAM (HYDROLYZED)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04741","Name":"Myxothiazol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 4 only.","DirectParent":"2,4-disubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04742","Name":"NITROCEFIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04743","Name":"Nimesulide","DrugType":"small molecule","HalfLife":"1.8–4.7 hours","Description":"Nimesulide is a relatively COX-2 selective, non-steroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic properties. Its approved indications are the treatment of acute pain, the symptomatic treatment of osteoarthritis and primary dysmenorrhoea in adolescents and adults above 12 years old. Due to concerns about the risk of hepatotoxicity, nimesulide has been withdrawn from market in many countries.","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"For the treatment of acute pain, the symptomatic treatment of osteoarthritis and primary dysmenorrhoea in adolescents and adults above 12 years old.","Toxicity":"Oral TDLO (human): 1.429 mg/kg; Oral TDLO (woman): 2 mg/kg; Oral LD50 (rat): 200 mg/kg; Oral LD50 (mouse): 392 mg/kg","MechanismOfAction":"The therapeutic effects of Nimesulide are the result of its complete mode of action which targets a number of key mediators of the inflammatory process such as: COX-2 mediated prostaglandins, free radicals, proteolytic enzymes and histamine.","Pharmacodynamics":"Food, gender and advanced age have negligible effects on nimesulide pharmacokinetics.","Absorption":"Rapidly absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04744","Name":"2-HYDROXY-1,4-NAPHTHOQUINONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring fused to a bezene-1,4-dione (quinone).","DirectParent":"Naphthoquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04745","Name":"2-OXOQUINOLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04746","Name":"(10E,12Z)-octadeca-10,12-dienoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lineolic acids and derivatives. These are derivatives of lineolic acid.","DirectParent":"Lineolic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Lineolic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04747","Name":"11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lineolic acids and derivatives. These are derivatives of lineolic acid.","DirectParent":"Lineolic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Lineolic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04748","Name":"OXIMINOARYLSULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04749","Name":"2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thioesters. These are compounds containing the ester derivative of thiocarboxylic acid,with the general structure R-S-CO-R' (R,R'=alkyl,aryl).","DirectParent":"Thioesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04750","Name":"OREGON GREEN 488 CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the neoflavonoids. These are compounds whose structure is based on the 4-phenylchromen backbone.","DirectParent":"Neoflavonoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Neoflavonoids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04751","Name":"Purvalanol A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04752","Name":"Phosphatidyl ethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidic acids. These are glycerophosphates in which the glycerol moeity is bonded to two aliphatic chains through ester linkages.","DirectParent":"Phosphatidic Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04753","Name":"9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04754","Name":"GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04755","Name":"PROPYL-1-PHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04756","Name":"2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04757","Name":"GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04758","Name":"2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04759","Name":"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Pyrimidinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04760","Name":"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Pyrimidinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04761","Name":"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE]","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Pyrimidinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04762","Name":"N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04763","Name":"1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04764","Name":"[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04765","Name":"N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04767","Name":"N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04768","Name":"Pyrithiamine Pyrophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04769","Name":"5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.","DirectParent":"Quinoxalines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinoxalines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04770","Name":"O6-(R)-ROSCOVITINE, R-2-(6-BENZYLOXY-9-ISOPROPYL-9H-PURIN-2-YLAMINO)-BUTAN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04771","Name":"1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04772","Name":"1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04773","Name":"METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04774","Name":"Reidispongiolide A","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04775","Name":"Reidispongiolide C","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04776","Name":"N6-METHYL-(R)-ROSCOVITINE, R-2-[6-(BENZYL-METHYL-AMINO)-9-ISOPROPYL-9H-PURIN-2-YLAMINO]-BUTAN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04777","Name":"(R)-4-Nitrostyrene oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04778","Name":"SC45647","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04779","Name":"ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04780","Name":"Sulfatide","DrugType":"small molecule","HalfLife":"","Description":"Any of a class of cerebroside sulfuric esters, they are found largely in the medullated nerve fibers and may accumulate in metachromatic leukodystrophy.","Classification":{"Description":"This compound belongs to the sulfatides. These are an hydrogen sulfate esters of glycosphingolipids.","DirectParent":"Sulfatides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Sphingolipids","SubClass":"Sulfatides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04781","Name":"5-hydroxyvaleric acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04782","Name":"(S)-4-Nitrostyrene oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04783","Name":"Sphinxolide B","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04784","Name":"Methylphenyl carbinol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04785","Name":"Streptolydigin","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Streptolydigin is an antibiotic which works by blocking nucleic acid chain elongation by binding to the polymerase, thus stopping RNA polymerase activity inside a cell. Specifically, it inhibits the assembly of the RNA polymerase II transcription complex and DNA polymerase III transcription. It is active against a number of gram positive bacteria.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04786","Name":"Suramin","DrugType":"small molecule","HalfLife":"Approximately 36 to 60 days","Description":"A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties. Suramin is manufactured by Bayer in Germany as Germanin®.","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"For treatment of human sleeping sickness, onchocerciasis and other diseases caused by trypanosomes and worms.","Toxicity":"","MechanismOfAction":"The mechanism is unknown, but the trypanocidal activity may be due to the inhibition of enzymes involved with the oxidation of reduced nicotinamide-adenine dinucleotide (NADH), which functions as a co-enzyme in many cellular reactions, such as respiration and glycolysis, in the trypanosome parasite. Suramin's action in the treatment of onchocerciasis is macrofilaricidal and partially microfilaricidal. It may also act as an antagonist of P2 receptors and as an agonist of Ryanodine receptors. It also can inhibit follicle-stimulating hormone receptors.","Pharmacodynamics":"","Absorption":"Poorly absorbed from the gastrointestinal tract.","Interactions":null,"Salts":[{"ID":"DBSALT000540","Name":"Suramin sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB04787","Name":"Tanaproget","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).","DirectParent":"Benzoxazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04788","Name":"Tagetitoxin","DrugType":"small molecule","HalfLife":"","Description":"Tagetitoxin is a bacterial phytotoxin. It preferentially inhibits eukaryotic RNA polymerase.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"Tagetitoxin inhibits all RNAP catalytic reactions. Tagetitoxin binding is mediated exclusively through polar interactions with the beta and beta' residues whose substitutions confer resistance to tagetitoxin in vitro.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04789","Name":"5-methyltetrahydrofolate","DrugType":"small molecule","HalfLife":"","Description":"5-Methyltetrahydrofolate is a methylated derivate of tetrahydrofolate. It is generated by methylenetetrahydrofolate reductase from 5,10-methylenetetrahydrofolate and used to recycle homocysteine back to methionine by 5-methyltetrahydrofolate-homocysteine methyltransferases (also called methionine synthases).","Classification":{"Description":"This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.","DirectParent":"Pteroic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pteridines and Derivatives","SubClass":"Pterins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04790","Name":"2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.","DirectParent":"Isosorbides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furofurans","SubClass":"Isosorbides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04791","Name":"2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.","DirectParent":"Isosorbides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furofurans","SubClass":"Isosorbides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04792","Name":"2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.","DirectParent":"Isosorbides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furofurans","SubClass":"Isosorbides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04793","Name":"2-O-(3'-AMIDINOPHENYL)-5-O-(4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.","DirectParent":"Isosorbides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furofurans","SubClass":"Isosorbides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04794","Name":"Bifonazole","DrugType":"small molecule","HalfLife":"1-2 hours","Description":"Bifonazole is an azole antifungal drug. [Wikipedia]","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Used for the treatment of various topical fungal infections, including athlete's foot (tinea pedis).","Toxicity":"","MechanismOfAction":"Bifonazole works by inhibiting the production of a substance called ergosterol, which is an essential component of fungal cell membranes.It acts to destabilize the fungal cyctochrome p450 51 enzyme (also known as Lanosterol 14-alpha demethylase). This is vital in the cell membrance structure of the fungus. Its inhibition leads to cell lysis. The disruption in production of ergosterol disrupts the cell membrane and causes holes to appear. The cell membranes of fungi are vital for their survival. They keep unwanted substances from entering the cells and stop the contents of the cells from leaking out. As bifonazole causes holes to appear in the cell membranes, essential constituents of the fungal cells can leak out. This kills the fungi.","Pharmacodynamics":"Bifonazole is a type of antifungal medicine known as an imidazole. It kills fungi and yeasts by interfering with their cell membranes.","Absorption":"Very low absorption following topical administration (0.6% of an applied dose). In cases of skin lesions absorption is increased (2.5%).","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04795","Name":"Thenoyltrifluoroacetone","DrugType":"small molecule","HalfLife":"","Description":"Thenoyltrifluoroacetone is a chelating agent and inhibitor of cellular respiration. [PubChem]","Classification":{"Description":"This compound belongs to the thiophenes. These are compounds containing a five-member aromatic compound made up of one sulfur atom and four carbon atoms.","DirectParent":"Thiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Studies indicate that thenoyltrifluoroacetone is a potent inhibitor of carboxylesterase activity, in addition to its ability to inhibit mitochondrial complex II activity. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04796","Name":"Inecalcitol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"Investigated for use/treatment in prostate cancer, psoriasis and hyperparathyroidism.","Toxicity":"","MechanismOfAction":"Inecalcitol is an analogue of calcitriol, the naturally active metabolite of vitamin D. Calcitriol and their analogues activate the vitamin D receptor (VDR). Vitamin D has a major role in regulating calcium absorption from the gut, storage in mineral form in the bones, and excretion by the kidney and effectively prevents rickets in infants. Vitamin D and calcitriol can cause hypercalcemia at high or frequently repeated doses; in turn, hypercalcemia can cause kidney toxicity by accumulation of calcium-containing micro-crystals and heart and muscle dysfunction by impairing contractions. [Hybrigenics Website] The mechanism of action is currently unknown, but it is proposed that inecalcitol exerts its superagonistic action through enhancing coactivator binding by the VDR.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04797","Name":"Triazolopyridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring.","DirectParent":"Triazolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04798","Name":"THIO-ATPA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04799","Name":"5-n-undecyl-6-hydroxy-4,7-dioxobenzothiazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-quinones.","DirectParent":"p-Quinones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04800","Name":"1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04801","Name":"(11E)-OCTADEC-11-ENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04802","Name":"D-ERITHRO-2,3-DIAMINO-BUTYRIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04803","Name":"Verdoheme","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.","DirectParent":"Substituted Pyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04804","Name":"L-threo-2,3-diamino-butyric acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04805","Name":"Virginiamycin factor S1","DrugType":"small molecule","HalfLife":"","Description":"One of the components of virginiamycin, a cyclic polypeptide antibiotic complex from streptomyces virginiae, s. Loidensis, s. Mitakaensis, s. Pristina-spiralis, s. Ostreogriseus, and others. It is used to treat infections with gram-positive organisms and as a growth promoter in cattle, swine, and poultry.","Classification":{"Description":"This compound belongs to the cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.","DirectParent":"Cyclic Depsipeptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04806","Name":"(5-BROMO-4-CHLORO-3-INDOLYL)-A-D-MANNOSE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04807","Name":"4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates.","DirectParent":"Dihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Disaccharides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04808","Name":"Neamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04809","Name":"SALOPHEN-10-PROPIONATE IRON CHELATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04810","Name":"Salophen-10-carboxylate iron chelate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04811","Name":"Salophen iron chelate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.","DirectParent":"o-Quinomethanes","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB04812","Name":"Benoxaprofen","DrugType":"small molecule","HalfLife":"","Description":"The use of benoxaprofen, formerly marketed as Oraflex tablets, was associated with fatal cholestatic jaundice among other serious adverse reactions. The holder of the approved application voluntarily withdrew Oraflex tablets from the market on August 5, 1982.","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04813","Name":"Bithionol","DrugType":"small molecule","HalfLife":"","Description":"Bithionol, formerly marketed as an active ingredient in various topical drug\r\nproducts, was shown to be a potent photosensitizer with the potential\r\nto cause serious skin disorders. Approvals of the NDA's for bithionol\r\ndrug products were withdrawn on October 24, 1967 (see the Federal\r\nRegister of October 31, 1967 (32 FR 15046)).","Classification":{"Description":"This compound belongs to the p-chlorophenols.","DirectParent":"p-Chlorophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04814","Name":"Bunamiodyl","DrugType":"small molecule","HalfLife":"","Description":"Withdrawn from the Canadian, US, and UK markets in 1963 due to nephropathy.","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04815","Name":"Clioquinol","DrugType":"small molecule","HalfLife":"","Description":"Clioquinol was withdrawn in 1983 due to neurotoxicity.","Classification":{"Description":"This compound belongs to the hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group.","DirectParent":"Hydroxyquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroxyquinolines"},"Indication":"Used as a topical antifungal treatment.","Toxicity":"","MechanismOfAction":"Clioquinol is bacteriostatic, however, the precise mechanism of its action is unknown.","Pharmacodynamics":"Clioquinol is a broad-spectrum antibacterial with antifungal properties. Application of clioquinol to extensive or eroded areas of the skin may lead to increased protein-bound iodine (PBI) levels within 1 week. In addition, elevated PBI levels may occur when relatively small areas of the skin are treated with clioquinol for more than 1 week.","Absorption":"Topical absorption is rapid and extensive, especially when the skin is covered with an occlusive dressing or if the medication is applied to extensive or eroded areas of the skin. Clioquinol is absorbed through the skin in sufficient amounts to affect thyroid function tests. ","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04816","Name":"Dantron","DrugType":"small molecule","HalfLife":"","Description":"Withdrawn from the Canadian, US, and UK markets in 1998 due to genotoxicity.","Classification":{"Description":"This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring.","DirectParent":"Anthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB04817","Name":"Metamizole","DrugType":"small molecule","HalfLife":"","Description":"Metamizole, formerly marketed as Dimethone tablets and injection, Protemp oral liquid, and other drug products, was associated with potentially fatal agranulocytosis. Approvals of the NDA's for dipyrone drug products were withdrawn on June 27, 1977 (see the Federal Register of June 17, 1977 (42 FR 30893)). Withdrawn from the Canadian market in 1963.","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"Used in the past as a powerful painkiller and fever reducer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Dipyrone is a non-steroidal anti-inflammatory drug (NSAID), commonly used in the past as a powerful painkiller and fever reducer.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000332","Name":"Metamizole sodium"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04818","Name":"Iproniazid","DrugType":"small molecule","HalfLife":"","Description":"Withdrawn from the Canadian market in July 1964 due to interactions with food products containing tyrosine.","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.","DirectParent":"Pyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"For the treatment of depression (originally intended to treat tuberculosis).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Iproniazid is a monoamine oxidase inhibitor (MAOI) that was developed as the first anti-depressant.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04819","Name":"Methapyrilene","DrugType":"small molecule","HalfLife":"","Description":"Methapyrilene, formerly marketed in many drug products, was shown to be\r\na potent carcinogen. Manufacturers voluntarily withdrew methapyriline\r\ndrug products from the market in May and June 1979.","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000334","Name":"Methapyrilene Hydrochloride"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04820","Name":"Nialamide","DrugType":"small molecule","HalfLife":"","Description":"Withdrawn from the Canadian, US, and UK markets in 1963 due to interactions with food products containing tyrosine.\r\n","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"Nialamide was one of the first MAOI (monoamine oxidase inhibitor) antidepressants. It is chemically related to iproniazide, another MAOI derived from isonicotinic acid. //","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04821","Name":"Nomifensine","DrugType":"small molecule","HalfLife":"","Description":"Nomifensine, formerly marketed as Merital capsules, was associated with an increased incidence of hemolytic anemia. The approved application holder removed Merital capsules from the market on January 23, 1986. FDA published a notice of its determination that Merital capsules were removed from the market for safety reasons (see the Federal Register of June 17, 1986 (51 FR 21981)). Approval of the NDA for Merital capsules was withdrawn on March 20, 1992 (see the Federal Register of March 20, 1992 (57 FR 9729)). Also withdrawn from the Canadian and UK markets.","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"A likely cause of nomifensine toxicity is the aromatic amine group, as compounds containing this chemical substructure are notorious for producing toxic metabolites.","MechanismOfAction":"","Pharmacodynamics":"Nomifensine is a dopamine reuptake inhibitor test-marketed in the United States by Hoechst AG (now Novartis) that increases the amount of synaptic dopamine available to receptors by blocking dopamine's re-uptake transporter. Nomifensine is now mainly used in scientific research, particularly in studies involving dopamine release in response to addiction.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04822","Name":"Oxeladin","DrugType":"small molecule","HalfLife":"","Description":"Withdrawn from the Canadian, US, and UK markets in 1976 due to carcinogenicity.","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04823","Name":"Oxyphenisatin","DrugType":"small molecule","HalfLife":"","Description":"A laxative that undergoes enterohepatic circulation. It may cause jaundice.","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04824","Name":"Phenolphthalein","DrugType":"small molecule","HalfLife":"","Description":"Phenolphthalein was withdrawn in Canada due to concerns with carcinogenicity in 1997.","Classification":{"Description":"This compound belongs to the phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.","DirectParent":"Phthalides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Benzofuranones"},"Indication":"Used for over a century as a laxative.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04825","Name":"Prenylamine","DrugType":"small molecule","HalfLife":"","Description":"Prenylamine was withdrawn from the Canadian, US, and UK markets in 1988 due to concerns regarding cardiac arrhythmias.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04826","Name":"Thenalidine","DrugType":"small molecule","HalfLife":"","Description":"Withdrawn from the Canadian, US, and UK markets in 1963 due to concerns involving neutropenia.","Classification":{"Description":"This compound belongs to the aminopiperidines.","DirectParent":"Aminopiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Aminopiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04827","Name":"Ethyl carbamate","DrugType":"small molecule","HalfLife":"","Description":"Ethyl carbamate (also known as urethan and urethane), formerly marketed as an inactive ingredient in Profenil injection, was determined to be carcinogenic and was removed from the Canadian, US, and UK markets in 1963.","Classification":{"Description":"This compound belongs to the carbamic acids and derivatives. These are compounds comprising the carbamic acid functional group or a derivative thereof.","DirectParent":"Carbamic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04828","Name":"Zomepirac","DrugType":"small molecule","HalfLife":"","Description":"Zomepirac, formerly marketed as Zomax tablets, was associated with fatal and near-fatal anaphylactoid reactions. The manufacturer voluntarily removed Zomax tablets from the Canadian, US, and UK markets in March 1983.","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"Zomepirac was indicated for the management of mild to severe pain.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000335","Name":"Zomepirac sodium"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04829","Name":"Lysergic Acid Diethylamide","DrugType":"small molecule","HalfLife":"3 hours","Description":"Debate continues over the nature and causes of chronic flashbacks. Explanations in terms of LSD physically remaining in the body for months or years after consumption have been discounted by experimental evidence. Some say HPPD is a manifestation of post-traumatic stress disorder, not related to the direct action of LSD on brain chemistry, and varies according to the susceptibility of the individual to the disorder. Many emotionally intense experiences can lead to flashbacks when a person is reminded acutely of the original experience. However, not all published case reports of chronic flashbacks appear to describe an anxious hyper-vigilant state reminiscent of post-traumatic stress disorder.","Classification":{"Description":"This compound belongs to the indoloquinolines. These are polycyclic aromatic compounds containing an indole fused to a quinoline.","DirectParent":"Indoloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Indoloquinolines"},"Indication":"","Toxicity":"Estimates for the lethal dosage (LD50) of LSD range from 200 µg/kg to more than 1 mg/kg of human body mass, though most sources report that there are no known human cases of such an overdose.","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"Rapidly absorbed.","Interactions":null,"Salts":null,"Groups":{"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB04830","Name":"Buformin","DrugType":"small molecule","HalfLife":"","Description":"Buformin is an anti-diabetic drug of the biguanide class, chemically related to metformin and phenformin. It was withdrawn from the market in most countries due to a high risk of causing lactic acidosis.","Classification":{"Description":"This compound belongs to the biguanides. These are organic compounds containing two N-linked guanidines.","DirectParent":"Biguanides","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":"Biguanides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000336","Name":"Buformin Hydrochloride"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04831","Name":"Ticrynafen","DrugType":"small molecule","HalfLife":"","Description":"Ticrynafen, or tienilic acid, is a diuretic drug with uric acid-lowering (uricosuric) action, formerly marketed for the treatment of hypertension. It was withdrawn in 1982, shortly after its introduction to the market, after case reports in the United States indicated a link between the use of ticrynafen and hepatitis. (Manier et al., 1982)","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"For the treatment of hypertension.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04832","Name":"Zimelidine","DrugType":"small molecule","HalfLife":"8.4 +/- 2.0 hours for the parent compound and 19.4 +/- 3.6 hours for norzimelidine.","Description":"Zimelidine has been banned worldwide due to serious, sometimes fatal, cases of central and/or peripheral neuropathy known as Guillain-Barré syndrome and due to a peculiar hypersensitivity reaction involving many organs including skin exanthema, flu-like symptoms, arthralgias, and sometimes eosinophilia. Additionally, zimelidine was charged to cause an increase in suicidal ideation and/or attempts among depressive patients. After its ban, it was succeeded by fluvoxamine and fluoxetine (derived from the antihistamine diphenhydramine) in that order, and the other SSRIs.","Classification":{"Description":"This compound belongs to the phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.","DirectParent":"Phenylpropenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropenes"},"Indication":"For the treatment of depression.","Toxicity":"","MechanismOfAction":"The antidepressant actions of zimelidine are presumed to be linked to its inhibition of CNS neuronal uptake of serotonin. Zimelidine blocks the reuptake of serotonin at the serotonin reuptake pump of the neuronal membrane, enhancing the actions of serotonin on 5HT1A autoreceptors. SSRIs bind with significantly less affinity to histamine, acetylcholine, and norepinephrine receptors than tricyclic antidepressant drugs.","Pharmacodynamics":"Zimelidine was the first marketed selective serotonin reuptake inhibitor (SSRI) antidepressant. It is a pyridylallylamine, structurally different from other antidepressants.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04833","Name":"Methaqualone","DrugType":"small molecule","HalfLife":"","Description":"Methaqualone is a sedative-hypnotic drug that is similar in effect to barbiturates, a general central nervous system depressant. The sedative-hypnotic activity was first noted by Indian researchers in the 1950s and in 1962 methaqualone itself was patented in the US by Wallace and Tiernan. Its use peaked in the early 1970s as a hypnotic, for the treatment of insomnia, and as a sedative and muscle relaxant. It has also been used illegally as a recreational drug, commonly known as Quaaludes, Sopors, Ludes or Mandrax (particularly in the 1970s in North America) depending on the manufacturer. Since at least 2001, it has been widely used in South Africa, where it is commonly referred to as \"smarties\" or \"geluk-tablette\" (meaning happy tablets). Clandestinely produced methaqualone is still seized by government agencies and police forces around the world. [Wikipedia]","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For the treatment of insomnia, and as a sedative and muscle relaxant.","Toxicity":"Symptoms of overdose include delirium, convulsions, muscle spasms or seizure, cardiac arrest, shortness or loss of breath, vomiting or nausea, and coma or death. The LD50 for mice is 1250 mg/kg and for rats is 326 mg/kg (Strasenburg Labs).","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB04834","Name":"Rapacuronium","DrugType":"small molecule","HalfLife":"141 minutes (mean)","Description":"Rapacuronium was withdrawn in 2001 in many countries due to risk of fatal bronchospasm.","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"Used in anaesthesia, to aid and enable endotracheal intubation.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Rapacuronium is a rapidly acting, non-depolarizing neuromuscular blocker.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000337","Name":"Rapacuronium bromide"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB04835","Name":"Maraviroc","DrugType":"small molecule","HalfLife":"14-18 hours","Description":"Maraviroc (brand-named Selzentry, or Celsentri outside the U.S.) is a chemokine receptor antagonist drug developed by the drug company Pfizer that is designed to act against HIV by interfering with the interaction between HIV and CCR5. It was originally labelled as UK-427857 during development but was assigned the Maraviroc name as it entered trials. It was approved for use by the FDA in August, 2007.","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"For treatment-experienced adult patients infected with only CCR5-tropic HIV-1 detectable, who have evidence of viral replication and HIV-1 strains resistant to multiple antiretroviral agents.","Toxicity":"","MechanismOfAction":"Maraviroc is an entry inhibitor and works by blocking HIV from entering human cells. Specifically maraviroc is a selective, slowly reversible, small molecule antagonist of the interaction between human CCR5 and HIV-1 gp120. Maraviroc selectively binds to the human chemokine receptor CCR5 present on the membrane of CD4 cells (T-cells), preventing the interaction of HIV-1 gp120 and CCR5 necessary for CCR5-tropic HIV-1 to enter cells.","Pharmacodynamics":"Maraviroc is a chemokine receptor antagonist drug developed by the drug company Pfizer that is designed to act against HIV by interfering with the interaction between HIV and CCR5.","Absorption":"The absolute oral bioavailability of a 100 mg dose is 23% and is predicted to be 33% at 300 mg. Coadministration of a 300mg tablet with a high fat breakfast reduced maraviroc Cmax and AUC by 33% in healthy volunteers.","Interactions":[{"ID":"DB08822"},{"ID":"DB00872"},{"ID":"DB06414"},{"ID":"DB00976"},{"ID":"DB00273"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04836","Name":"Amineptine","DrugType":"small molecule","HalfLife":"48 minutes for the parent drug and 2.5 hours for the metabolites.","Description":"The Food and Drug Administration suspended the marketing authorisation for Survector in 1999 and France withdrew it from the market, however several developing countries continued to produce it up until 2005.","Classification":{"Description":"This compound belongs to the dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring.","DirectParent":"Dibenzocycloheptenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Dibenzocycloheptenes","SubClass":""},"Indication":"For the treatment of depression.","Toxicity":"","MechanismOfAction":"Amineptine selectively inhibits the reuptake of dopamine and to a lesser extent norepinephrine, thus exerting a powerful and fast-acting antidepressant effect.","Pharmacodynamics":"Amineptine is an atypical tricyclic antidepressant.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000803","Name":"Amineptine hydrochloride"}],"Groups":{"illicit":true,"withdrawn":true},"Pathways":null},{"ID":"DB04837","Name":"Clofedanol","DrugType":"small molecule","HalfLife":"","Description":"Clofedanol is a centrally-acting cough suppressant available in Canada under the trade name Ulone. It is not available in the United States.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Used in the treatment of dry cough.","Toxicity":"","MechanismOfAction":"Suppresses the cough reflex by a direct effect on the cough center in the medulla of the brain.","Pharmacodynamics":"Chlophedianol (or Clofedanol) is a centrally-acting cough suppressant. It has local anesthetic and antihistamine properties, and may have anticholinergic effects at high doses.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001029","Name":"Clofedanol hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB04838","Name":"Cyclandelate","DrugType":"small molecule","HalfLife":"","Description":"A direct-acting smooth muscle relaxant used to dilate blood vessels. It may cause gastrointestinal distress and tachycardia. Cyclandelate is not approved for use in the U.S. or Canada, but is approved in various European countries.","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"Used in the treatment of various blood vessel diseases (e.g., claudication, arteriosclerosis and Raynaud's disease) and nighttime leg cramps.","Toxicity":"Acute oral toxicity (LD50): 3950 mg/kg [Guinea pig]","MechanismOfAction":"Cyclandelate produces peripheral vasodilation by a direct effect on vascular smooth muscle. Pharmacological action may be due to calcium-channel antagonism.","Pharmacodynamics":"Cyclandelate is in a class of drugs called vasodilators. Cyclandelate relaxes veins and arteries, which makes them wider and allows blood to pass through them more easily.","Absorption":"Well absorbed following oral administration.","Interactions":[{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04839","Name":"Cyproterone acetate","DrugType":"small molecule","HalfLife":"Elimination Following oral or intramuscular administration, the plasma half-life is 38 and 96 hours, respectively.","Description":"An anti-androgen that, in the form of its acetate (cyproterone acetate), also has progestational properties. It is used in the treatment of hypersexuality in males, as a palliative in prostatic carcinoma, and, in combination with estrogen, for the therapy of severe acne and hirsutism in females. [Pubchem]","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the palliative treatment of patients with advanced prostatic carcinoma.","Toxicity":"","MechanismOfAction":"The direct antiandrogenic effect of cyproterone is blockage of the binding of dihydrotestosterone to the specific receptors in the prostatic carcinoma cell. In addition, cyproterone exerts a negative feed-back on the hypothalamo-pituitary axis, by inhibiting the secretion of luteinizing hormone resulting in diminished production of testicular testosterone.","Pharmacodynamics":"Cyproterone is an antiandrogen. It suppresses the actions of testosterone (and its metabolite dihydrotestosterone) on tissues. It acts by blocking androgen receptors which prevents androgens from binding to them and suppresses luteinizing hormone (which in turn reduces testosterone levels).","Absorption":"Completely absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04840","Name":"Debrisoquin","DrugType":"small molecule","HalfLife":"","Description":"An adrenergic neuron-blocking drug similar in effects to guanethidine. It is also noteworthy in being a substrate for a polymorphic cytochrome P-450 enzyme. Persons with certain isoforms of this enzyme are unable to properly metabolize this and many other clinically important drugs. They are commonly referred to as having a debrisoquin 4-hydroxylase polymorphism. [PubChem]","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"For the treatment of moderate and severe hypertension, either alone or as an adjunct, and for the treatment of renal hypertension.","Toxicity":"","MechanismOfAction":"Debrisoquin acts at the sympathetic neuroeffector junction by inhibiting or interfering with the release and/or distribution of norepinephrine, rather than acting at the effector cell by inhibiting the association of norepinephrine with its receptors. It is taken up by norepinephrine transporters. It becomes concentrated in NE transmitter vesicles, replacing NE in these vesicles. This leads to a gradual depletion of NE stores in the nerve endings. Once inside the terminal it blocks the release of noradrenaline in response to arrival of an action potential. In contrast to ganglionic blocking agents, debrisoquin suppresses equally the responses mediated by alpha-and beta-adrenergic receptors but does not produce parasympathetic blockade. Since sympathetic blockade results in modest decreases in peripheral resistance and cardiac output, debrisoquin lowers blood pressure in the supine position. It further reduces blood pressure by decreasing the degree of vasoconstriction that normally results from reflex sympathetic nervous activity upon assumption of the upright posture, thus reducing venous return and cardiac output more.","Pharmacodynamics":"Debrisoquin is an adrenergic neuron-blocking drug similar in effects to guanethidine. It is a substrate for a polymorphic cytochrome P-450 enzyme. Persons with certain isoforms of this enzyme are unable to properly metabolize this and many other clinically important drugs. They are commonly referred to as having a debrisoquin 4-hydroxylase polymorphism.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000370","Name":"Debrisoquin sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB04841","Name":"Flunarizine","DrugType":"small molecule","HalfLife":"18 days","Description":"Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Used in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.","Toxicity":"-Flunarizine should be used with care in patients with depression or those being prescribed other agents, such as phenothiazines, concurrently, which may cause extrapyramidal side-effects.\r\n-Acute overdosage has been reported and the observed symptoms were sedation, agitation and tachycardia.\r\n-Treatment of acute overdosage consists of charcoal administration, induction of emesis or gastric lavage, and supportive measures. No specific antidote is known.","MechanismOfAction":"Flunarizine inhibits the influx of extracellular calcium through myocardial and vascular membrane pores by physically plugging the channel. The decrease in intracellular calcium inhibits the contractile processes of smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Pharmacodynamics":"Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity.","Absorption":"85% following oral administration.","Interactions":[{"ID":"DB00427"}],"Salts":[{"ID":"DBSALT000382","Name":"Flunarizine dihydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB04842","Name":"Fluspirilene","DrugType":"small molecule","HalfLife":"","Description":"A long-acting injectable antipsychotic agent used for chronic schizophrenia.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Used for the treatment of schizophrenia.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Fluspirilene is a relatively long-acting injectable depot antipsychotic drug used for schizophrenia. Fluspirilene does not differ greatly from other depot antipsychotics (fluphenazine decanoate, fluphenazine enathate, perphenazine onanthat, pipotiazine undecylenate) with respect to treatment efficacy, response or tolerability. Outcomes suggest that fluspirilene does not differ significantly from oral antipsychotics or in different weekly regimens, although much cannot be inferred because of the shortage of trials.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04843","Name":"Mepenzolate","DrugType":"small molecule","HalfLife":"","Description":"Mepenzolate is a post-ganglionic parasympathetic inhibitor. It decreases gastric acid and pepsin secretion and suppresses spontaneous contractions of the colon. Mepenzolate diminishes gastric acid and pepsin secretion. Mepenzolate also suppresses spontaneous contractions of the colon. Pharmacologically, it is a post-ganglionic parasympathetic inhibitor. It has not been shown to be effective in contributing to the healing of peptic ulcer, decreasing the rate of recurrence, or preventing complications.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For use as adjunctive therapy in the treatment of peptic ulcer. It has not been \r\nshown to be effective in contributing to the healing of peptic ulcer, decreasing the rate of recurrence, or preventing complications.\r\n","Toxicity":"The signs and symptoms of overdosage are headache; nausea; vomiting; blurred vision; dilated pupils; hot, dry skin; dizziness; dryness of the mouth; difficulty in swallowing; and CNS stimulation. A curare-like action may occur (i.e., neuromuscular blockade leading to muscular weakness and possible \r\nparalysis). The oral LD\u003csub\u003e50\u003c/sub\u003e is greater than 750 mg/kg in mice and greater than 1000 mg/kg in rats. \r\n\r\n","MechanismOfAction":"Mepenzolate is a post-ganglionic parasympathetic inhibitor. It specifically antagonizes muscarinic receptors. This leads to decreases in gastric acid and pepsin secretion and suppression of spontaneous contractions of the colon.","Pharmacodynamics":"Mepenzolate diminishes gastric acid and pepsin secretion. Mepenzolate also suppresses spontaneous contractions of the colon. Pharmacologically, it is a post-ganglionic parasympathetic inhibitor.\r\n","Absorption":"Between 3 and 22% of an orally administered dose is excreted in the urine over a 5-day period, with the majority of the radioactivity appearing on Day 1. The remainder appears in the next 5 days in the feces and presumably has not been absorbed.\r\n","Interactions":[{"ID":"DB00502"},{"ID":"DB00382"},{"ID":"DB00662"},{"ID":"DB00427"},{"ID":"DB00209"}],"Salts":[{"ID":"DBSALT000451","Name":"Mepenzolate bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB04844","Name":"Tetrabenazine","DrugType":"small molecule","HalfLife":"α-HTBZ = 7 hours; \r\nβ-HTBZ = 5 hours;\r\n9-desmethyl-β-DHTBZ = 12 hours. ","Description":"A drug formerly used as an antipsychotic but now used primarily in the symptomatic treatment of various hyperkinetic disorders. It is a monoamine depletor and used as symptomatic treatment of chorea associated with Huntington's disease. FDA approved on August 15, 2008. ","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"Treatment of hyperkinetic movement disorders like chorea in Huntington's disease, hemiballismus, senile chorea, Tourette syndrome and other tic disorders, and tardive dyskinesia ","Toxicity":"Dose-limiting adverse effects are sedation, parkinsonism, akathsia, and depression.\r\nLD50 oral, mouse: 550 mg/kg ","MechanismOfAction":"Tetrabenazine is a reversible human vesicular monoamine transporter type 2 inhibitor (Ki = 100 nM). It acts within the basal ganglia and promotes depletion of monoamine neurotransmitters serotonin, norepinephrine, and dopamine from stores. It also decreases uptake into synaptic vesicles. Dopamine is required for fine motor movement, so the inhibition of its transmission is efficacious for hyperkinetic movement. Tetrabenazine exhibits weak in vitro binding affinity at the dopamine D2 receptor (Ki = 2100 nM).","Pharmacodynamics":"Prolongation of the QTc interval has been observed at doses of 50 mg. In rats, it has been observed that tetrabenazine or its metabolites bind to melanin-containing tissues such as the eyes and skin. After a single oral dose of radiolabeled tetrabenazine, radioactivity was still detected in eye and fur at 21 days post dosing. ","Absorption":"Following oral administration of tetrabenazine, the extent of absorption is at least 75%. After single oral doses ranging from 12.5 to 50 mg, plasma concentrations of tetrabenazine are generally below the limit of detection because of the rapid and extensive hepatic metabolism of tetrabenazine. Food does not affect the absorption of tetrabenazine. \r\nCmax, oral = 4.8 ng/mL in HD or tardive dyskinesia patients; \r\nTmax, oral = 69 min in HD or tardive dyskinesia patients","Interactions":[{"ID":"DB01063"},{"ID":"DB01238"},{"ID":"DB06697"},{"ID":"DB00477"},{"ID":"DB00363"},{"ID":"DB00907"},{"ID":"DB00450"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00623"},{"ID":"DB00614"},{"ID":"DB00502"},{"ID":"DB01247"},{"ID":"DB01235"},{"ID":"DB00601"},{"ID":"DB01356"},{"ID":"DB00408"},{"ID":"DB06708"},{"ID":"DB00933"},{"ID":"DB01233"},{"ID":"DB01171"},{"ID":"DB01618"},{"ID":"DB00334"},{"ID":"DB01267"},{"ID":"DB00715"},{"ID":"DB00850"},{"ID":"DB00780"},{"ID":"DB01100"},{"ID":"DB01168"},{"ID":"DB00433"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB01367"},{"ID":"DB00206"},{"ID":"DB00734"},{"ID":"DB01037"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00857"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00752"},{"ID":"DB00831"},{"ID":"DB00726"},{"ID":"DB00427"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04845","Name":"Ixabepilone","DrugType":"small molecule","HalfLife":"52 hours","Description":"Ixabepilone is an epothilone B analog developed by Bristol-Myers Squibb as a cancer drug. On October 16, 2007, the U.S. Food and Drug Administration approved ixabepilone for the treatment of aggressive metastatic or locally advanced breast cancer no longer responding to currently available chemotherapies. Ixabepilone is administered through injection, and will be marketed under the trade name Ixempra. [Wikipedia] Ixabepilone is a semisynthetic analogue of epothilone B. It has a lactone–lactam modification that\r\nminimizes susceptibility to esterase degradation.","Classification":{"Description":"This compound belongs to the epothilones and analogues. These are macrolides consisting of a 16-member lactone ring conjugated at the carbon 16 with a 1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl group. Some epothilone analogues containing a lactam ring instead of the lactone ring.","DirectParent":"Epothilones and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":"Epothilones and Analogues"},"Indication":"Investigated for use/treatment in breast cancer, head and neck cancer, melanoma, lung cancer, lymphoma (non-hodgkin's), prostate cancer, renal cell carcinoma, and cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"Binding of Ixabepilone to beta-tubulins (e.g. beta-III tubulin) stabilizes microtubules. Microtubules are essential to cell division, and epothilones therefore stop cells from properly dividing. Like taxol, Ixabepilone binds to the αβ-tubulin heterodimer subunit. Once bound, the rate of αβ-tubulin dissociation decreases, thus stabilizing the microtubules.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00872"},{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04847","Name":"FG-4592","DrugType":"small molecule","HalfLife":"","Description":"FibroGen completed the phase I single-dose, dose escalation studies as of July 2007. Multiple dose, dose escalation and phase II US studies are listed as ongoing.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"In clinical development for the treatment of anemia of chronic inflammatory disease.","Toxicity":"","MechanismOfAction":"FG-4592 is an orally active second generation HIF-PH inhibitor. Preclinical studies show that FG-4592 increases production of endogenous erythropoietin (EPO), increases iron mobilization and utilization, and overcomes the suppressive effects of inflammation on red blood cell production.","Pharmacodynamics":"FG-4592 represents one of several next generation PHI that has been optimized for multiple pharmacokinetic and pharmacodynamic parameters related to erythropoiesis, including selective inhibition of HIF prolyl and asparaginyl hydroxylases, potency, iron utilization, and ADME. FG-4592 represents one of several next generation HIF-PH inhibitors designed to selectively induce the expression of genes that mediate erythropoiesis for the treatment of anemia.","Absorption":"Orally active","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04848","Name":"AZD0947","DrugType":"small molecule","HalfLife":"","Description":"AZD0947 is a K+ channel opener, which was under investigation by AstraZeneca for the treatment of overactive bladder. As of March 2003, the drug was in phase II trials; however, as of October 2004, it no longer appeared on the company’s development pipeline.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Intended for the treatment of urinary incontinence.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"AZD0947 is a K\u003csup\u003e+\u003c/sup\u003e channel opener.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04849","Name":"AZD2171","DrugType":"small molecule","HalfLife":"12 to 35 hours","Description":"The novel indole-ether quinazoline AZD2171 is a highly potent (IC\u003csub\u003e50\u003c/sub\u003e \u0026lt; 1 nmol/L) ATP-competitive inhibitor of recombinant KDR tyrosine kinase in vitro. It is being developed clinically as a once-daily oral therapy for the treatment of cancer.","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"For the treatment of liver cancer, advanced non-small cell lung cancer (NSCLC), advanced colorectal cancer (CRC) and other solid tumors.","Toxicity":"","MechanismOfAction":"AZD2171 inhibits vacular endothelial growth factor (VEGF) receptor tyrosine kinase (RTK). By forming a blockade at the VEGF receptors, AZD2171 limits the growth of new blood vessels, which are essential to supporting tumor growth. Thus, lacking sufficient blood supply, tumor cells become starved for nutrients, slowing or halting growth and potentially improving the efficacy of other treatments. Preclinical evidence indicated that the drug had a high affinity at these sites, and was well tolerated and efficacious in animal studies.","Pharmacodynamics":"AZD2171 is a once-daily, orally available, highly potent and selective VEGF signalling inhibitor that inhibits all three VEGF receptors. The preclinical profile of AZD2171 indicates that it has the potential to be the 'best in class' VEGF signalling inhibitor. Phase I data indicate that AZD2171 is generally well tolerated, with the most common dose related adverse events being diarrhoea, hoarseness, headache and hypertension.","Absorption":"Available following oral administration.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04850","Name":"AZD2563","DrugType":"small molecule","HalfLife":"","Description":"AZD2563 is an oxazolidinone antibiotic. In July 2002, after completion of phase I trials in December 2001, AstraZeneca announced that they were no longer pursuing the development of AZD2563, presumably due to negative trial results (though no results were reported).","Classification":{"Description":"This compound belongs to the oxazolidinediones. These are compound containing an oxazolidine ring which bears two ketones.","DirectParent":"Oxazolidinediones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Oxazolidines"},"Indication":"For the treatment of gram-positive infections, including multiresistant strains.","Toxicity":"Clinical signs of acute toxicity lead to decreased activity, ataxia, vomiting and tremors.","MechanismOfAction":"AZD2563 selectively inhibits bacterial protein synthesis through binding to sites on the bacterial ribosome and prevents the formation of a functional 70S-initiation complex. Specifically, AZD2563 binds to a site on the bacterial 23S ribosomal RNA of the 50S subunit and prevents the formation of a functional 70S initiation complex, which is an essential component of the bacterial translation process.","Pharmacodynamics":"AZD2563 is an oxazolidinone antibiotic. Oxazolidinones inhibit protein synthesis by binding at the P site at the ribosomal 50S subunit. Resistance to other protein synthesis inhibitors does not affect oxazolidinone activity, however rare development of oxazolidinone resistance cases, associated with 23S rRNA alterations during treatment have been reported.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04851","Name":"Biricodar dicitrate","DrugType":"small molecule","HalfLife":"","Description":"The pipecolinate derivative biricodar (VX-710) is a clinically applicable modulator of P-glycoprotein (Pgp) and multidrug resistance protein (MRP-1).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Administered intravenously, biricodar dicitrate is to be used in combination with cancer chemotherapy agents.","Toxicity":"","MechanismOfAction":"Vertex\u0026rsquo;s research shows that biricodar dicitrate can enhance the accumulation of chemotherapy agents in tumor cells by blocking the drug pumps P-gp and MRP, and that it is capable of restoring the sensitivity of tumors to treatment with chemotherapeutic agents.","Pharmacodynamics":"Biricodar dicitrate blocks two major multi-drug resistance mechanisms: P-glycoprotein (MDR-1) and multi-drug resistance-associated protein (MRP).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04852","Name":"Implitapide","DrugType":"small molecule","HalfLife":"","Description":"Implitapide is a microsomal triglyceride transfer protein (MTP)-inhibitor.","Classification":{"Description":"This compound belongs to the alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole).","DirectParent":"Alpha Carbolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyridoindoles"},"Indication":"For the treatment of atherosclerosis.","Toxicity":"","MechanismOfAction":"MTP mediates triglyceride absorption and chylomicron secretion from the intestine and very-low-density lipoprotein (VLDL) secretion from the liver by linking lipid molecules with apolipoprotein B (apoB). Inhibition of MTP reduces the level of all apoB-containing lipoproteins, including LDL.","Pharmacodynamics":"Implitapide is an inhibitor of microsomal triglyceride transfer protein (MTP), a key enzyme involved in the assembly and release of cholesterol and triglyceride from the liver and intestinal tract. It is being investigated for the treatment of atherosclerosis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04853","Name":"Binodenoson","DrugType":"small molecule","HalfLife":"10 \u0026plusmn; 4 minutes","Description":"Binodenoson is a pharmacologic stress agent specific to the only adenosine receptor necessary for increased cardiac blood flow, the A\u003csub\u003e2A\u003c/sub\u003e receptor. This specificity allows Binodenoson to deliver - in a single injection - a more effective dose of medication with fewer side effects than current treatments, which typically require a 15-20 minute infusion.","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For cardiac pharmacologic stress SPECT imaging, which is used to diagnose coronary artery disease.","Toxicity":"","MechanismOfAction":"Binodenoson is a highly selective adenosine A2A receptor agonist. The adenosine A2A receptor is necessary for increased cardiac blood flow, and specificity to this particular receptor allows binodenoson to deliver, in a single injection, a more effective dose of medication with fewer side effects than current treatments, which typically require a 15-20 minute infusion. Cardiac stress tests allow physicians to identify the presence of cardiovascular disease by examining the flow of blood through the heart.","Pharmacodynamics":"Binodenoson, a novel cardiovascular disease diagnostic, is a adenosine A2A receptor agonist in development for cardiac pharmacologic stress SPECT imaging, which is used to diagnose coronary artery disease.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04855","Name":"Dronedarone","DrugType":"small molecule","HalfLife":"Elimination half-life: 13-19 hours ","Description":"Dronedarone is a sinus rhythm controller for management of paroxysmal or persistent atrial fibrillation. Classified as a Class III antiarrhythmic but displays properties of all four Vaughan-Williams classes, dronedarone blocks a multitude of channels (sodium, potassium, calcium), and demonstrates antiadrenergic properties. Chemically, it is a benzofuran derivative. FDA approved on July 1, 2009. ","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Management of paroxysmal or persistent atrial fibrillation via restoration of normal sinus rhythm. ","Toxicity":"Most common adverse reactions (≥2%) are diarrhea, nausea, abdominal pain, vomiting, and asthenia. ","MechanismOfAction":"The antiarrhythmic effect of dronedarone may be due to at least two major actions. It prolongs the duration of action potential and refractory period in myocardial tissue via inhibition of sodium and potassium channels. Via inhibition of calcium channels and blockage of beta1-adrenergic receptors, a decrease in AV conduction and sinus node function can be observed. Dronedarone can also cause an increase in blood pressure by inhibition of alpha1-adrenergic receptors. ","Pharmacodynamics":"Dronedarone is a non-iodinated benzofuran derivative for the management of paroxysmal or persistent atrial fibrillation. Dronedarone inhibits human atrial sodium currents (INa) in a dose dependent manner in which a concentration of 0.3 μM is sufficient to completely inhibit INa. Chemically it is related to amiodarone, a popular antiarrhythmic the use of which is limited to toxicity due its high iodine content (pulmonary fibrosis, thyroid disease) as well as by liver disease. Dronedarone lacks the iodine, and is expected to have less toxicity, yet it displays amiodarone-like class III antiarrhytmic activity in vitro and in clinical trials. Despite this advantage over amiodarone, clinical trials of dronedarone have shown that it may increase risk of stroke and mortality from cardiovascular causes and arrhythmia. Furthermore, amiodarone more potently effects action potential and refractory periods than dronedarone. ","Absorption":"Because of presystemic first pass metabolism the absolute bioavailability of dronedarone without food is low, about 4%. It increases to approximately 15% when dronedarone is administered with a high fat meal. After oral administration in fed conditions, peak plasma concentrations of dronedarone and the main circulating active metabolite (N-debutyl metabolite) are reached within 3 to 6 hours. After repeated administration of 400 mg twice daily, steady state is reached within 4 to 8 days of treatment. The steady state Cmax and exposure of the main N-debutyl metabolite is similar to that of the parent compound. ","Interactions":[{"ID":"DB06697"},{"ID":"DB01076"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB08865"},{"ID":"DB00091"},{"ID":"DB06695"},{"ID":"DB00390"},{"ID":"DB00343"},{"ID":"DB06414"},{"ID":"DB08868"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB00264"},{"ID":"DB01149"},{"ID":"DB00571"},{"ID":"DB00503"},{"ID":"DB00641"},{"ID":"DB00877"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00661"},{"ID":"DB00582"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00682"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000061","Name":"Dronedarone Hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB04856","Name":"Dexloxiglumide","DrugType":"small molecule","HalfLife":"","Description":"Dexloxiglumide is a selective cholecystokinin type A (CCKA) receptor antagonist in phase III testing by Rottapharm in Europe only, as U.S. trials have been discontinued. As the D-isomer of loxiglumide, it retains all pharmacological properties of loxiglumide but is more potent.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of Irritable Bowel Syndrome (IBS) and Gastroesophageal Reflux Disease (GERD).","Toxicity":"","MechanismOfAction":"CCKA antagonists target receptors in the gastrointestinal system to increase gastric emptying and intestinal motility, as well as modulate intestinal sensitivity to distension.","Pharmacodynamics":"Dexloxiglumide is a selective cholecystokinin type A (CCKA) receptor antagonist. In October 2003, following the completion of two phase III clinical studies involving dexloxiglumide in women with constipation-predominant irritable bowel syndrome (IBS), Forest Laboratories decided to discontinue development of the drug for this indication. The results of the studies showed that dexloxiglumide did not show statistically significant favorability over placebo. Rotta Research is continuing a phase III trial of a different design in Europe for the IBS indication and also for gastroesophogeal reflux disease.","Absorption":"Rapidly and extensively absorbed after single oral administration in humans with an absolute bioavailability of 48%. The incomplete bioavailability is due to both incomplete absorption and hepatic first-pass effect.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04857","Name":"Brasofensine","DrugType":"small molecule","HalfLife":"Plasma terminal elimination half-lives were ~2 hr in rats, ~4 hr in monkeys, but ~24 hr in humans.","Description":"Brasofensine is an orally administered dopamine reuptake inhibitor being developed for the treatment of Parkinson's Disease. Phase I/II trials for brasofensine have been completed in the U.K. In November 2001, NeuroSearch confirmed that the drug's development was discontinued in favor of NS 2230.","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"For the treatment of Parkinson's Disease.","Toxicity":"","MechanismOfAction":"When the neurotransmitter dopamine is released into the synaptic cleft, brasofensine prevents it from entering back into the source nerve cell, thereby allowing a longer period of synaptic activity.","Pharmacodynamics":"Brasofensine is an inhibitor of the synaptic dopamine transporter. It is a geometric isomer of the E-form; the Z-isomer is denoted as BMS-205912.","Absorption":"Brasofensine is rapidly absorbed after oral administration in rats and monkeys, with peak plasma concentrations occurring 0.5-1 hr, but 3-8 hr for brasofensine in humans.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04858","Name":"Tirapazamine","DrugType":"small molecule","HalfLife":"","Description":"Tirapazamine (SR-4233) is an experimental anticancer drug that is activated to a toxic radical only at very low levels of oxygen (hypoxia). Such levels are common in human solid tumors, a phenomenon known as tumor hypoxia. Thus, tirapazamine is activated to its toxic form preferentially in the hypoxic areas of solid tumors. Cells in these regions are resistant to killing by radiotherapy and most anticancer drugs. Thus the combination of tirapazamine with conventional anticancer treatments is particularly effective. As of 2006, tirapazamine is undergoing phase III testing in patients with head and neck cancer and gynecological cancer, and similar trials are being undertaken for other solid tumor types. [Wikipedia]","Classification":{"Description":"This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.","DirectParent":"Aminotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazines","SubClass":"Aminotriazines"},"Indication":"For the treatment of head and neck cancer.","Toxicity":"","MechanismOfAction":"Extensive preclinical testing has established that the mechanism for the selective toxicity towards hypoxic cells is the result of a one-electron reduction of the parent molecule to a free radical species that interacts with DNA to produce single- and double-strand breaks and lethal chromosome aberrations. It has also shown activity when combined with fractionated irradiation and when combined with some chemotherapy agents, particularly cisplatin and carboplatin.","Pharmacodynamics":"Tirapazamine is a anticancer drug that is inactive in normal tissues that are well oxygenated, but becomes active at the low oxygen levels found in solid tumors. As a result, the drug kills these poorly oxygenated or hypoxic cells while limiting toxicity in normal tissue. Tirapazamine may prove highly effective when used in combination with standard anticancer therapy, as these hypoxic cells are characteristically resistant to radiation and common anticancer agents.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04859","Name":"Zanapezil","DrugType":"small molecule","HalfLife":"","Description":"Zanapezil (TAK-147) is a selective acetylcholine (ACh) esterase inhibitor under investigation as a drug for Alzheimer's disease (AD) treatment.","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"For the treatment of dementia in subjects with Alzheimer’s disease.","Toxicity":"","MechanismOfAction":"Zanapezil inhibits the degradation of acetylcholine, a neurotransmitter, to prevent the reduction of cerebral acetylcholine levels and to enhance the mental function of patients with dementia. It is expected to act selectively on the central nervous system, resulting in fewer peripheral adverse reactions.","Pharmacodynamics":"Zanapezil is an acetylcholinesterase inhibitor being developed by Takeda for the treatment of dementia in subjects with Alzheimer’s disease. In May 2003, the company discontinued development of the compound due to a lack of a dose-dependent effect in the trials.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04860","Name":"Isatoribine","DrugType":"small molecule","HalfLife":"","Description":"Isatoribine is a selective agonist of TLR7.","Classification":{"Description":"This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).","DirectParent":"Glycosylamines","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For the treatment of Hepatitis C.","Toxicity":"","MechanismOfAction":"Isatoribine is believed to act by a mechanism of action involving interaction with Toll-like receptor 7 (TLR7) and stimulation of the patient's own immune system, but the precise mechanism by which isatoribine reduced viral load is unknown (possible mechanisms include an antiviral effect, modulation of innate immunity, or enhancement of cellular responses).","Pharmacodynamics":"Isatoribine is a compound that elevates levels of interferon-alpha and provides antiviral and antimetastatic activity in a variety of murine systems. Isatoribine interacts with a specific receptor, Toll-like receptor 7, or TLR7, that is present on certain immune system cells. The compound also has a promising toxicity profile in multiple species. As of February 2007 this drug was no longer listed on Anadys development pipeline.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04861","Name":"Nebivolol","DrugType":"small molecule","HalfLife":"10 hours","Description":"Nebivolol is a highly cardioselective vasodilatory beta1 receptor blocker used in treatment of hypertension. In most countries, this medication is available only by prescription. [Wikipedia]","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"For the treatment of essential hypertension.","Toxicity":"The most common signs and symptoms associated with nebivolol overdosage are bradycardia and hypotension. Other important adverse events reported with nebivolol overdose include cardiac failure, dizziness, hypoglycemia, fatigue and vomiting. Other adverse events associated with β-blocker overdose include bronchospasm and heart block. The largest known ingestion of nebivolol worldwide involved a patient who ingested up to 500 mg of nebivolol along with several 100 mg tablets of acetylsalicylic acid in a suicide attempt. The patient experienced hyperhydrosis, pallor, depressed level of consciousness, hypokinesia, hypotension, sinus bradycardia, hypoglycemia, hypokalemia, respiratory failure and vomiting. The patient recovered.","MechanismOfAction":"Nebivolol is a selective \u0026beta;1-receptor antagonist. Activation of \u0026beta;1-receptors by epinephrine increases the heart rate and the blood pressure, and the heart consumes more oxygen. Nebivolol blocks these receptors which reverses the effects of epinephrine, lowering the heart rate and blood pressure. In addition, beta blockers prevent the release of renin, which is a hormone produced by the kidneys which leads to constriction of blood vessels. At high enough concentrations, this drug may also bind beta 2 receptors. ","Pharmacodynamics":"Nebivolol is a competitive and highly selective beta-1 receptor antagonist with mild vasodilating properties, possibly due to an interaction with the L-arginine/nitric oxide pathway. In preclinical studies, nebivolol has been shown to induce endothelium-dependent arterial relaxation in a dose dependent manner, by stimulation of the release of endothelial nitric oxide. Nitric oxide acts to relax vascular smooth muscle cells and inhibits platelet aggregation and adhesion.","Absorption":"The absorption of nebivolol is rapid and not affected by food.","Interactions":[{"ID":"DB01162"},{"ID":"DB00374"}],"Salts":[{"ID":"DBSALT001027","Name":"Nebivolol hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":[{"ID":"SMP00366","Drugs":["DB01345","DB01373","DB04861"]}]},{"ID":"DB04862","Name":"Merimepodib","DrugType":"small molecule","HalfLife":"","Description":"Merimepodib (VX-497) is a novel noncompetitive inhibitor of IMPDH. Merimepodib is orally bioavailable and inhibits the proliferation of primary human, mouse, rat, and dog lymphocytes at concentrations of approximately 100 nM.","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"For the treatment of hepatitis C virus (HCV) infection.","Toxicity":"","MechanismOfAction":"Merimepodib is a orally active inhibitor of inosine monophospate dehydrogenase (IMPDH). IMPDH inhibition leads to a reduction in intracellular guanosine triphosphate (GTP), a molecule required for DNA and RNA synthesis.","Pharmacodynamics":"Merimepodib, an oral drug, contains a novel inhibitor of inosine monophosphate dehydrogenase (IMPDH), an enzyme responsible for stimulating the production of lymphocytes. Merimepodib has the potential to exert direct antiviral activity, as well as affect the immune response by acting on lymphocyte migration and proliferation. Consequently, merimepodib may be an effective treatment for hepatitis C virus (HCV) infection, as the disease involves both viral proliferation and liver inflammation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04863","Name":"Lefradafiban","DrugType":"small molecule","HalfLife":"","Description":"Lefradafiban is an oral platelet glycoprotein IIb/IIIa receptor antagonist being investigated in the treatment of angina.","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"For the treatment of unstable angina.","Toxicity":"","MechanismOfAction":"GPIIb/IIIa inhibitors, such as lefradafiban, block the final common pathway of platelet aggregation.","Pharmacodynamics":"Lefradafiban, an orally active prodrug of fradafiban, is a novel glycoprotein (IIb/IIIa) inhibitor for the treatment of unstable angina. Development was discontinued in 2000 due to lack of efficacy.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04864","Name":"Huperzine A","DrugType":"small molecule","HalfLife":"","Description":"Huperzine A, is a naturally occurring sesquiterpene alkaloid found in the extracts of the firmoss \u003ci\u003eHuperzia serrata\u003c/i\u003e. The botanical has been used in China for centuries for the treatment of swelling, fever and blood disorders. Recently in clinical trials in China, it has demonstrated neuroprotective effects. It is currently being investigated as a possible treatment for diseases characterized by neurodegeneration – particularly Alzheimer’s disease. [Wikipedia]","Classification":{"Description":"This compound belongs to the quinolones and derivatives. These are compounds containing a quinoline moiety which bears a ketone group.","DirectParent":"Quinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"For the treatment of Alzheimer's disease.","Toxicity":"","MechanismOfAction":"Huperzine A has been found to be an inhibitor of the enzyme acetylcholinesterase. This is the same mechanism of action of pharmaceutical drugs such as galantamine and donepezil used to treat Alzheimer's disease.","Pharmacodynamics":"Huperzine A is an alkaloid derived from \u003ci\u003eHuperzia serrata\u003c/i\u003e (which is available as an herbal product in the US). It is under investigation as an acetylcholinesterase inhibitor. Clinical trials in China have shown that huperzine A is comparably effective to the drugs currently on the market, and may even be somewhat safer in terms of side effects.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04865","Name":"Homoharringtonine","DrugType":"small molecule","HalfLife":"Homoharringtonine has a half life of about 6 hours after subcutaneous administration.","Description":"Homoharringtonine, AKA HHT or omacetaxine mepesuccinate, is a cephalotaxine ester and protein synthesis inhibitor with established clinical activity as a single agent in hematological malignancies. Homoharringtonine is synthesized from cephalotaxine, which is an extract from the leaves of the plant, Cephalotaxus species. In October 2005, homoharringtonine received Orphan Drug designation from the EMEA for the treatment of chronic myeloid leukemia (CML). Then in March 2006, homoharringtonine received Orphan Drug status from the FDA for the treatment of CML. In November 2006, homoharringtonine, for the treatment of CML, was granted Fast Track designation by the FDA. Most recently, in October 2012, homoharringtonine was marketed under the brand name Synribo™ and FDA approved for patients who are intolerant and/or resistant to two or more tyrosine kinase inhibitors used to treat accelerated or chronic phase CML. \r\n\r\n","Classification":{"Description":"This compound belongs to the erythrina alkaloids. These are organic compounds whose structure is based on a backbone contatining a indole-6-ol sharing its nitrogen atom with an isoquinoline ring system.","DirectParent":"Erythrina Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Erythrina Alkaloids","SubClass":""},"Indication":"Used in patients who are intolerant and/or resistant to two or more tyrosine kinase inhibitors used to treat accelerated or chronic phase CML. \r\n\r\n","Toxicity":"The most severe adverse effects after homoharringtonine administration are myelosuppression, bleeding, hyperglycemia, and fetal harm.","MechanismOfAction":"Homoharringtonine inhibits protein synthesis by not directly binding to Bcr-Abl. It binds to the A-site cleft in the large ribosomal subunit, which affects chain elongation and prevents protein synthesis.\r\n\r\n ","Pharmacodynamics":"The pharmacodynamics of homoharringtonine is not fully understood. It is known that homoharringtonine is involved\r\nwith protein synthesis inhibition and this leads to its antineoplastic activity.\r\n","Absorption":"Homoharringtonine absorption was not quantified, but maximum concentration is reached after about 30 mins. ","Interactions":[{"ID":"DB00945"},{"ID":"DB01050"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB00864"},{"ID":"DB08895"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04866","Name":"Halofuginone","DrugType":"small molecule","HalfLife":"23.8 to 72.1 hours","Description":"Halofuginone is a low molecular weight quinazolinone alkaloid, and a potent inhibitor of collagen alpha1(I) and matrix metalloproteinase 2 (MMP-2) gene expression. Halofuginone also effectively suppresses tumor progression and metastasis in mice.","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For the treatment of scleroderma, cancer, and restenosis.","Toxicity":"","MechanismOfAction":"Halofuginone is a potent inhibitor of collagen a1(I) and matrix metalloproteinase 2 (MMP-2) gene expression. Halofuginone also suppresses extracellular matrix deposition and cell proliferation. The profound antitumoral effect of halofuginone is attributed to its combined inhibition of the tumor stromal support, vascularization, invasiveness, and cell proliferation.","Pharmacodynamics":"Halofuginone, a fully synthetic small molecule, is a potent and selective regulator of stromal cell activation, cell migration and Collagen type I synthesis, a process that has been identified as a 'master switch' in the body's tissue repair process.","Absorption":"Readily bioavailable and rapidly absorbed following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000462","Name":"Halofuginone hydrobromide"}],"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04867","Name":"Lintitript","DrugType":"small molecule","HalfLife":"","Description":"Lintitript is a new, highly specific and potent CCK-A receptor antagonist.","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"For the treatment of pancreatic cancer and appetite disorders.","Toxicity":"","MechanismOfAction":"Cholecystokinin (CCK) modulates feeding and dopamine-induced behavior in the central and peripheral nervous system. Lintitript antagonizes the effect of cholecystokinin by binding to the cholecystokinin type A (CCK-A) receptor. This action presumably alters feeding habits, however the exact mechanism of action is not known.","Pharmacodynamics":"Lintitript SR 27897 is a selective cholecystokinin type A (CCK-A) receptor antagonist. In February 2000, Sanofi announced that it was halting development of the drug for appetite disorders, and in September 2002, Sanofi announced that it had stopped investigation all together.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04868","Name":"Nilotinib","DrugType":"small molecule","HalfLife":"15 hours","Description":"Nilotinib, also known as AMN107, is a tyrosine kinase inhibitor under investigation as a possible treatment for chronic myelogenous leukemia (CML). In June 2006, a Phase I clinical trial found nilotinib has a relatively favorable safety profile and shows activity in cases of CML resistant to treatment with imatinib (Gleevec\u0026reg;), another tyrosine kinase inhibitor currently used as a first-line treatment. [Wikipedia]","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"For the potential treatment of various leukemias, including chronic myeloid leukemia (CML).","Toxicity":"","MechanismOfAction":"Chronic myelogenous leukaemia (CML) is caused by the BCR-ABL oncogene. Nilotinib inhibits the tyrosine kinase activity of the BCR-ABL protein. Nilotinib fits into the ATP-binding site of the BCR-ABL protein with higher affinity than imatinib, over-riding resistance caused by mutations. The ability of AMN107 to inhibit TEL-platelet-derived growth factor receptor-beta (TEL-PDGFRbeta), which causes chronic myelomonocytic leukaemia, and FIP1-like-1-PDGFRalpha, which causes hypereosinophilic syndrome, suggests potential use of AMN107 for myeloproliferative diseases characterised by these kinase fusions (Stover et al, 2005; Weisberg et al, 2005). AMN107 also inhibits the c-Kit receptor kinase, including the D816V-mutated variant of KIT, at pharmacologically achievable concentrations, supporting potential utility in the treatment of mastocytosis, and gastrointestinal stromal tumours (Weisberg et al, 2005; von Bubnoff et al, 2005; Gleixner et al, 2006).","Pharmacodynamics":"Nilotinib is a transduction inhibitor that targets BCR-ABL, c-kit and PDGF, for the potential treatment of various leukemias, including chronic myeloid leukemia (CML).","Absorption":"Orally available","Interactions":[{"ID":"DB06697"},{"ID":"DB06769"},{"ID":"DB00872"},{"ID":"DB06414"},{"ID":"DB06708"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB00976"},{"ID":"DB01623"},{"ID":"DB01030"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00072"},{"ID":"DB00755"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04869","Name":"Olcegepant","DrugType":"small molecule","HalfLife":"","Description":"Boehringer Ingelheim Pharmaceuticals’ olcegepant (BIBN 4096) is a selective Calcitonin Gene-Related Peptide (CGRP) antagonist, a new class of drugs in development for the treatment of acute migraine attacks. Olcegepant is undergoing phase II trials in Europe and the US, with preliminary results suggesting that CGRP antagonists may represent a potential new approach to the treatment of migraine.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of migraine headaches.","Toxicity":"","MechanismOfAction":"Migraine involves dysfunction of brainstem pathways that normally modulate sensory input. The involvement of calcitonin gene-related peptide (CGRP) in migraine pathology is supported by both clinical and experimental evidence. The release of CGRP and other neuropeptides from trigeminal nerves is thought to mediate neurogeate inflammation within the meninges which contributes to the generation of severe cerebral pain experienced during migraine attack. CGRP antagonists such as olcegepant bind at CGRP receptors, blocking the effect CGRP and thus reducing inflammation.","Pharmacodynamics":"Olcegepant is a calcitonin gene-related peptide (CGRP) antagonist. In preclinical studies, olcegepant attenuated arterial dilation induced by CGRP or electrical stimulation. In a phase II clinical trial, olcegepant reduced the severity of headache in 60% of migraine sufferers and met secondary endpoints including headache-free rate and rate of sustained response. Only mild-to-moderate transient adverse events were observed, with no adverse cardiovascular symptoms reported. The compound appears to be an effective anti-migraine medication that is well tolerated and does not display the vasoconstrictive effect that precludes the use of triptans and dihydroergotamine in certain patients.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04870","Name":"Oleoyl estrone","DrugType":"small molecule","HalfLife":"","Description":"Oleoyl-estrone (OE) is a fatty acid ester of estrone. It is a naturally circulating hormone in animals including humans. It was first reported in 1996 to cause a body fat loss effect in rats in the International Journal of Obesity and Related Metabolic Disorders. The animal research has all been conducted by the Nitrogen-Obesity Research Group of the University of Barcelona. The compound was found to potently induce body-fat loss while preserving protein stores in animals which is the ultimate goal of an anti-obesity agent as body protein loss is an undesired but inevitable (to some degree) side effect of fat loss via calorie restriction. [Wikipedia]","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"For the treatment of obesity.","Toxicity":"","MechanismOfAction":"Based on extensive preclinical studies, it is believed that oleoyl-estrone (OE) works by a dual mechanism of action. Centrally, OE appears to act at the brain's hypothalamus, resetting the body's ponderostat, the \u0026ldquo;food control center\u0026rdquo; in the brain that detects and integrates signals that control both appetite and metabolic behavior. Peripherally, OE also causes reduced storage of fat in \u0026ldquo;white fat\u0026rdquo; tissue and allows skeletal muscle to use fat as an alternate energy source.","Pharmacodynamics":"Oleoyl-estrone is a fatty acid ester of estrone, and may be directly involved in the control of body weight (PMID: 8782737).","Absorption":"Orally available","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04871","Name":"Lorcaserin","DrugType":"small molecule","HalfLife":"The plasma half life is approximately 11 hours.","Description":"Lorcaserin (previously APD-356), a highly selective 5HT2C receptor agonist, is used for the treatment of obesity. It has been shown to reduce body weight and food intake in animal models of obesity, and it is thought that targeting the 5HT2C receptor may alter body weight by regulating satiety. Lorcaserin is marketed as a salt form called Belviq, which is lorcaserin hydrochloride.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of obesity, as an adjunct to a reduced-calorie diet and increased physical activity.","Toxicity":"Most common adverse reactions include hypoglycemia (diabetic patients), headache, \r\nback pain,fatigue, decrease in lymphocytes,upper respiratory tract infection, and nasopharyngitis. Moreover, the safety and efficacy of coadministration with other weight loss products has not been established, and cardiovascular effects on mortality and morbidity have not been established. ","MechanismOfAction":"Although the exact mechanism is unknown, it is believed to involve the selective activation of 5-HT2C receptors in the anorexigenic pro-opiomelanocortin neurons in the arcuate nucleus of the hypothalamus. This results in decreased food intake and satiety by promoting the release of alpha-melanocortin stimulating hormone, which acts on melanocortin-4 receptors.","Pharmacodynamics":"Lorcaserin produced a dose-dependent weight loss over a 12-week period by promoting satiety and decreasing food consumption.","Absorption":"Lorcaserin has a peak plasma concentration of about 1.5 - 2 hours, but the bioavailability was not determined.","Interactions":[{"ID":"DB00696"},{"ID":"DB00679"}],"Salts":[{"ID":"DBSALT000111","Name":"Lorcaserin hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB04872","Name":"Osanetant","DrugType":"small molecule","HalfLife":"","Description":"Developed by Sanofi-Aventis (formerly Sanofi-Synthelabo), osanetant (SR-142801) is an NK3 receptor antagonist which was under development for the treatment of schizophrenia and other Central Nervous System (CNS) disorders. In a review of its R\u0026D portfolio, the company announced in August 2005 that it would cease any further development of osanetant. This follows an earlier decision to discontinue development of eplivanserin for schizophrenia.","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"Potential therapy for schizophrenia, depression and visceral pain.","Toxicity":"","MechanismOfAction":"The mechanism of action of osanetant is uncertain at this point. Various preclinical data indicate that activation of NK3 receptors enhances the release of biogenic amines, including dopamine and serotonin. NK3 receptor antagonists could block NK3-receptor-mediated activation of these systems.","Pharmacodynamics":"Osanetant is a neurokinin-3 (NK3) receptor antagonist. Preliminary clinical trials have demonstrated that osanetant is superior to placebo on global assessment of efficacy and measures of positive symptoms in schizophrenia.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04873","Name":"Piboserod","DrugType":"small molecule","HalfLife":"","Description":"Piboserod (SB 207266) is a selective 5-HT(4) receptor antagonist.","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"For the treatment of atrial fibrillation and irritable bowel syndrome (IBS).","Toxicity":"","MechanismOfAction":"Piboserod appears to act as a specific antagonist of one of the receptors for 5-hydroxytryptamine, the 5-HT4 receptor. The 5-HT4 receptor antagonists are thought to antagonize both the ability of serotonin to sensitize the peristaltic reflex and 5-HT-induced defecation, at least in animal studies. As 5-HT4 receptors are present in human atrial cells and when stimulated may cause atrial arrhythmias, piboserod was under investigation in clinical trials for atrial fibrillation.","Pharmacodynamics":"GlaxoSmithKline was investigating piboserod, a 5HT4 antagonist, for the treatment of atrial fibrillation. Phase II trials were ongoing in March 2004, but by December of that year, development had been discontinued. Piboserod had previously being investigated for the treatment of irritable bowel syndrome (IBS), but development for this indication was terminated in 1999.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04874","Name":"Picoplatin","DrugType":"small molecule","HalfLife":"","Description":"Picoplatin is a cytotoxic platinum compound in clinical development for the treatment of patients with solid tumors. It causes apoptosis (cell death) by binding to DNA and interfering with DNA replication and transcription.","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"For the treatment of patients with solid tumors.","Toxicity":"","MechanismOfAction":"Picoplatin causes apoptosis (cell death) by binding to DNA and interfering with DNA replication and transcription.","Pharmacodynamics":"Picoplatin is a sterically hindered platinum (II) complex designed to deliver an extended spectrum of anti-cancer activity and overcome platinum resistance.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04875","Name":"Pralnacasan","DrugType":"small molecule","HalfLife":"","Description":"Pralnacasan is an orally bioavailable pro-drug of a potent, non-peptide inhibitor of interleukin-1beta converting enzyme (ICE).","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of rheumatoid arthritis (RA).","Toxicity":"","MechanismOfAction":"Pralnacasan inhibits interleukin-1beta converting enzyme (ICE), an enzyme that regulates the production of IL-1 and IFN gamma - intercellular mediators that initiate and sustain the process of inflammation. Inhibiting ICE may be an effective strategy for curtailing damaging inflammatory processes common to a number of acute and chronic conditions, such as rheumatoid arthritis (RA) and osteoarthritis.","Pharmacodynamics":"Pralnacasan is a potent, non-peptide inhibitor of interleukin-1beta converting enzyme (ICE). Pralnacasan is an oral, anti-cytokine drug candidate licensed for development by Aventis Pharma from Vertex Pharmaceuticals. In November 2003, Aventis and Vertex Pharmaceuticals announced that they had voluntarily suspended the phase II clinical trials of pralnacasan due to results from an animal toxicity study that demonstrated liver abnormalities after a nine-month exposure to pralnacasan at high doses. While no similar liver toxicity has been seen to date in human trials, the companies will evaluate the animal toxicity results before proceeding with the phase II clinical program.","Absorption":"Orally bioavailable","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04876","Name":"Vildagliptin","DrugType":"small molecule","HalfLife":"The elimination half-life is approximately 90 minutes.","Description":"Vildagliptin, previously identified as LAF237, is a new oral anti-hyperglycemic agent (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. Vildagliptin inhibits the inactivation of GLP-1 and GIP by DPP-4, allowing GLP-1 and GIP to potentiate the secretion of insulin in the beta cells and suppress glucaon release by the alpha cells of the islets of Langerhans in the pancreas. It is currently in clinical trials in the U.S. and has been shown to reduce hyperglycemia in type 2 diabetes mellitus. While the drug is still not approved for use in the US, it was approved in Feb 2008 by European Medicines Agency for use within the EU and is listed on the Australian PBS with certain restrictions.","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used to reduce hyperglycemia in type 2 diabetes mellitus.","Toxicity":"","MechanismOfAction":"Vildagliptin inhibits dipeptidyl peptidase-4 (DPP-4). This in turn inhibits the inactivation of GLP-1 by DPP-4, allowing GLP-1 to potentiate the secretion of insulin in the beta cells. Dipeptidyl peptidase-4's role in blood glucose regulation is thought to be through degradation of GIP and the degradation of GLP-1.","Pharmacodynamics":"Vildagliptin belongs to a class of orally active antidiabetic drugs (DPP-IV inhibitors) that appear to have multiple functional benefits beyond simple blood-glucose control. One of these is a potential protective effect on pancreatic beta cells, which deteriorate in diabetes. Vildagliptin appears to be safe, very well tolerated, and efficacious. Following a meal, gut incretin hormones are released. The most important incretin hormones are GLP-1 and glucose-dependent insulinotropic polypeptide (GIP). These hormones, secreted in the human small intestine, are responsible for insulin release due to increased glucose levels. In contrast to agents that promote insulin secretion via glucose-independent mechanisms, GLP-1's dependence on glucose concentration is considered beneficial due to a lower risk of hypoglycemia. GLP-1 also inhibits glucagon secretion and increases beta cell mass by stimulating proliferation and neogenesis. However, the clinical utility of GLP-1 is limited by its short half-life (2 minutes). GLP-1 is rapidly degraded by the proteolytic enzyme DPP-IV. To enhance GLP-1 activity, inhibition of the DPP-IV enzyme is emerging as a novel therapeutic approach in the treatment of diabetes. Administration of vildagliptin enhances GLP-1's ability to produce insulin in response to elevated concentrations of blood glucose, inhibit the release of glucagon following meals, slow the rate of nutrient absorption into the bloodstream, slow the rate of gastric emptying, and reduce food intake.","Absorption":"Rapidly absorbed following oral administration with an oral bioavailability of greater than 90%.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04877","Name":"Voacamine","DrugType":"small molecule","HalfLife":"","Description":"Voacamine is an alkaloid isolated from the bark of the \u003ci\u003ePescheria fuchsiae folia\u003c/i\u003e tree. It is an antimalarial drug approved for use in several African countries. Voacamine is also under investigation for use in modulating multidrug-resistance in tumor cells. ","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"For the treatment of malaria. Also under investigation for the modulation of multidrug resistance in cancer cells.","Toxicity":"","MechanismOfAction":"Voacamine is possibly a substrate for P-glycoprotein (P-gp), an efflux pump responsible for multidrug resistance in tumor cells. Voacamine may compete with anticancer drugs such as doxorubicin for P-gp transport, decreasing removal of doxorubicin. ","Pharmacodynamics":"Voacamine is an anti-malarial extracted from the Brazilian tree \u003ci\u003ePeschiera fuchsiaefolia\u003c/i\u003e. In one study (PMID: 11180519), the in vivo antiplasmodial activity of voacamine was assessed in a 4-day test. It was shown to exhibit in vivo activity with 25.4% and 43.4% inhibition of parasitaemia with 2.5 and 10 mg/kg, respectively. In synchronized cultures, it was found to act on trophozoite and schizont stages of \u003ci\u003ePlasmodium falciparum\u003c/i\u003e.\r\nVoacamine is a bisindolic alkaloid under investigation for modulation of multidrug resistance to enhance anticancer drugs such as doxorubicin.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04878","Name":"Voglibose","DrugType":"small molecule","HalfLife":"","Description":"Voglibose (INN and USAN) is an alpha-glucosidase inhibitor used for lowering post-prandial blood glucose levels in people with diabetes mellitus. It is made in India by Ranbaxy Labs and sold under the trade name Volix. [Wikipedia]","Classification":{"Description":"This compound belongs to the aminocyclitols and derivatives. These are cyclitols with at least one hydroxyl group replace by an amino group.","DirectParent":"Aminocyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"For the treatment of diabetes. It is specifically used for lowering post-prandial blood glucose levels thereby reducing the risk of macrovascular complications.","Toxicity":"","MechanismOfAction":"Alpha-glucosidase inhibitors are saccharides that act as competitive inhibitors of enzymes needed to digest carbohydrates: specifically alpha-glucosidase enzymes in the brush border of the small intestines. The membrane-bound intestinal alpha-glucosidases hydrolyze oligosaccharides, trisaccharides, and disaccharides to glucose and other monosaccharides in the small intestine. Acarbose also blocks pancreatic alpha-amylase in addition to inhibiting membrane-bound alpha-glucosidases. Pancreatic alpha-amylase hydrolyzes complex starches to oligosaccharides in the lumen of the small intestine. Inhibition of these enzyme systems reduces the rate of digestion of complex carbohydrates. Less glucose is absorbed because the carbohydrates are not broken down into glucose molecules. In diabetic patients, the short-term effect of these drugs therapies is to decrease current blood glucose levels: the long term effect is a small reduction in hemoglobin-A1c level. (From Drug Therapy in Nursing, 2nd ed)","Pharmacodynamics":"Voglibose, an alpha-glucosidase inhibitor, is a synthetic compound with potent and enduring therapeutic efficacies against disorders of sensory, motor and autonomic nerve systems due to diabetes mellitus. The drug was approved in Japan in 1994 for the treatment of diabetes, and it is under further investigation by Takeda for the treatment of impaired glucose tolerance. Alpha-glucosidase inhibitors are oral anti-diabetic drugs used for diabetes mellitus type 2 that work by preventing the digestion of complex carbohydrates (such as starch). Complex carbohydrates are normally converted into simple sugars (monosaccharides) which can be absorbed through the intestine. Hence, alpha-glucosidase inhibitors reduce the impact of complex carbohydrates on blood sugar.","Absorption":"Slowly and poorly absorbed","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04879","Name":"Vatalanib","DrugType":"small molecule","HalfLife":"Approximately 6 hours.","Description":"Vatalanib (PTK787/ZK-222584) is a new oral antiangiogenic molecule that inhibits all known vascular endothelial growth factor receptors. Vatalanib is under investigation for the treatment of solid tumors.","Classification":{"Description":"This compound belongs to the phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.","DirectParent":"Phthalazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Phthalazines"},"Indication":"Used in combination with first- and second-line chemotherapy for the treatment of metastatic colorectal cancer and non-small cell lung cancer (NSCLC).","Toxicity":"","MechanismOfAction":"Vatalanib potently inhibits vascular endothelial growth factor (VEGF) receptor tyrosine kinases, important enzymes in the formation of new blood vessels that contribute to tumor growth and metastasis.","Pharmacodynamics":"Vatalanib is a novel oral angiogenesis inhibitor being developed by Schering (in collaboration with Novartis AG). Vatalanib selectively inhibits the tyrosine kinase domains of vascular endothelial growth factor (VEGF) receptors, platelet-derived growth factor (PDGF) receptor, and c-KIT.","Absorption":"Rapid onset of absorption","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":[{"ID":"SMP00421","Drugs":["DB04879"]}]},{"ID":"DB04880","Name":"Enoximone","DrugType":"small molecule","HalfLife":"4-10 hours","Description":"Enoximone is a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with congestive heart failure. Trials were halted in the U.S., but the drug is used in various countries.","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"For the treatment of congestive heart failure.","Toxicity":"","MechanismOfAction":"Further research is required to determine accurately the mechanism of action of drugs with phosphodiesterase inhibitory activity, however, inhibition of PDE3 inhibits degredation of cGMP. This allows for increased NO release and vascular relaxation.","Pharmacodynamics":"Enoximone is a phosphodiesterase inhibitor (type III) that increases the force of contraction of the heart and dilates blood vessels. In June 2005, Myogen announced that they were discontinuing development of enoximone due to negative results. The drug is approved for use in the UK.","Absorption":"Bioavailabvility is 50% following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04881","Name":"Elacridar","DrugType":"small molecule","HalfLife":"","Description":"Elacridar (GW120918) is an oral bioenhancer that targets multiple drug resistance in tumors. In many cases, the appearance of multidrug resistance in cancer is due to a change in expression of protein inhibitors. As of August 2007 elacridar was not listed on GSK's product pipeline. Development is assumed to have been discontinued.","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"For the treatment of solid tumors.","Toxicity":"","MechanismOfAction":"P-glycoprotein is a well characterized human ABC-transporter of the MDR/TAP subfamily. It is an ATP-dependent efflux pump with broad substrate specificity. It likely evolved as a defence mechanism against harmful substances. Increased intestinal expression of P-glycoprotein can reduce the absorption of drugs that are substrates for P-glycoprotein. Thus, there is a reduced bioavailability, therapeutic plasma concentrations are not attained. Elacridar functions by inhibiting P-glycoprotein, resulting in an increased bioavailability of coadminstered drugs.","Pharmacodynamics":"Elacridar is an oral bioenhancer that targets multiple drug resistance in tumors. In many cases, the appearance of multidrug resistance in cancer is due to a change in expression of protein inhibitors.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000816","Name":"Elacridar hydrochloride"}],"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04882","Name":"Edotecarin","DrugType":"small molecule","HalfLife":"20 to 25 hours","Description":"Edotecarin is a novel, non-camptothecin, DNA topoisomerase I inhibitor. It is member of the class of compounds called indolocarbazoles.","Classification":{"Description":"This compound belongs to the indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.","DirectParent":"Indolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"Clinical studies with edotecarin have shown activity in subjects with colorectal cancer, esophageal cancer and other solid tumors.","Toxicity":"","MechanismOfAction":"Edotecarin inhibits the enzyme topoisomerase I through stabilization of the DNA-enzyme complex and enhanced single-strand DNA cleavage, resulting in inhibition of DNA replication and decreased tumor cell proliferation.","Pharmacodynamics":"Edotecarin, formerly J-107088 is a novel, non-camptothecin, DNA topoisomerase-1 inhibitor. It is part of the class of compounds called indolocarbazoles. It is a novel inhibitor of topoisomerase I that induces single-strand DNA cleavage more effectively than NB-506 or camptothecin (CPT) and at different DNA sequences. The DNA-topoisomerase I complexes induced by edotecarin are more stable than those occurring after exposure to CPT or NB-506. The antitumor activity of edotecarin is less cell cycle dependent than other topoisomerase I inhibitors. Being an indolocarbazole, it is structurally related to staurosporine but does not possess protein kinase inhibitory properties. The antitumor activity of edotecarin has been tested in vitro and in vivo, and inhibition of tumor growth has been observed in breast, cervix, pharynx, lung, prostate, colon, gastric, and hepatic cancer models. Edotecarin is effective on cells that have acquired resistance related to P-glycoprotein. In vitro synergy has been demonstrated when edotecarin was tested in combination with cisplatin, 5-fluorouracil, etoposide, paclitaxel, doxorubicin, vincristine, CPT, and gemcitabine.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04883","Name":"Darusentan","DrugType":"small molecule","HalfLife":"","Description":"Darusentan is a selective endothelin ETA receptor antagonist. It is being evaluated as a treatment for congestive heart failure and hypertension.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of congestive heart failure and hypertension.","Toxicity":"","MechanismOfAction":"The mode of action by which the endothelin receptor antagonists cause a decrease of the BP is not yet totally elucidated; however, peripheral vasodilatation due to blockade of the vasoconstrictor effects of endothelin is the most likely explanation. A reduction of cardiac contractility is considered unlikely. Several studies have been published that investigated the effects of either selective or nonselective endothelin receptor blockade in patients with heart failure. In these studies, application of endothelin antagonists, while decreasing both systemic and pulmonary BP increased cardiac index and did not alter cardiac contractility or heart rate.","Pharmacodynamics":"Darusentan is a selective endothelin ETA receptor antagonist.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04884","Name":"Dapoxetine","DrugType":"small molecule","HalfLife":"Initial half-life of 1-2 hours.","Description":"Dapoxetine is a selective serotonin reuptake inhibitor, for the treatment of premature ejaculation. In a phase II proof-of-concept study conducted by PPD, dapoxetine demonstrated a statistically significant increase in ejaculatory latency when compared to placebo. Alza submitted a NDA to the FDA for dapoxetine for the treatment of premature ejaculation in December 2004. In October 2005, the company received a FDA Non-Approvable letter from the FDA, at which time they planned to work with regulators to address outstanding questions.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"For the treatment of premature ejaculation.","Toxicity":"","MechanismOfAction":"The drug's mechanism of action is thought to be related to inhibition of neuronal reuptake of serotonin and subsequent potentiation of serotonin activity. The central ejaculatory neural circuit comprises spinal and cerebral areas that form a highly interconnected network. The sympathetic, parasympathetic, and somatic spinal centers, under the influence of sensory genital and cerebral stimuli integrated and processed at the spinal cord level, act in synergy to command physiologic events occurring during ejaculation. Experimental evidence indicates that serotonin (5-HT), throughout brain descending pathways, exerts an inhibitory role on ejaculation. To date, three 5-HT receptor subtypes (5-HT(1A), 5-HT(1B), and 5-HT(2C)) have been postulated to mediate 5-HT's modulating activity on ejaculation.","Pharmacodynamics":"Dapoxetine is a selective serotonin reuptake inhibitor currently undergoing trials through Alza (under license from GenuPro, a collaboration between Eli Lilly and PPD). Dapoxetine is a short-acting SSRI drug currently being considered for approval by the Food and Drug Administration (FDA) for the treatment of premature ejaculation in men, which would make it the first drug approved for such treatment. Despite two clinical trials finished in 2006, experts doubt it will be approved by the FDA soon because SSRIs come with undesirable side-effects after long-term use, such as psychiatric problems, dermatological reactions, increase in body weight, lower sex-drive, nausea, headache, upset stomach and weakness, thus not significantly outweighing the benefit of premature ejaculation medication versus the risks. By contrast with SSRIs approved for depression, which take 2 weeks or longer to reach steady-state concentration, dapoxetine has a unique pharmacokinetic profile, with a short time to maximum serum concentration (about 1 h) and rapid elimination (initial half-life of 1-2 h).","Absorption":"Rapidly absorbed.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04885","Name":"Cilansetron","DrugType":"small molecule","HalfLife":"The elimination half-life after 4- and 8-mg oral doses administered 3 times daily for 6 days was reported to be 1.6 to 1.9 hours.","Description":"Cilansetron is a drug that is a 5HT-3 antagonist currently under trial phase in the EU and US. It is manufactured by Solvay Pharmaceuticals INC. [Wikipedia]","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"For the treatment of symptoms associated with irritable bowel syndrome.","Toxicity":"","MechanismOfAction":"Cilansetron is a potent and selective 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonist. 5-HT\u003csub\u003e3\u003c/sub\u003e receptors are nonselective cation channels that are extensively distributed on enteric neurons in the human gastrointestinal tract, as well as other peripheral and central locations. Activation of these channels and the resulting neuronal depolarization affect the regulation of visceral pain, colonic transit and gastrointestinal secretions, processes that relate to the pathophysiology of irritable bowel syndrome (IBS). 5-HT\u003csub\u003e3\u003c/sub\u003e receptor antagonists such as cilansetron inhibit activation of non-selective cation channels which results in the modulation of the enteric nervous system.","Pharmacodynamics":"Cilansetron is an orally formulated medication that blocks the action of 5-hydroxy-tryptamine 3 (5-HT3) receptors. Phase III studies of cilansetron had been suspended by Solvay in order to assess whether the drug possesses safety concerns similar to alosetron. Alosetron, also a 5-HT3 antagonist, was withdrawn from the market due to questions regarding its safety. Phase III testing with cilansetron has since resumed. In June 2005 the company announced that they were reviewing the priority of the cilansetron program.","Absorption":"Rapidly absorbed orally with a bioavailability of greater than 80% in rats.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04886","Name":"Calanolide A","DrugType":"small molecule","HalfLife":"20 hours for 800mg","Description":"Calanolide A is a new non-nucleoside reverse transcriptase inhibitor (NNRTI) derived from a plant found in the Malaysian rain forest. A related compound, calanolide B, also has anti-HIV activity. Both drugs are being developed by Sarawak Pharmaceuticals. A preliminary dosing study among HIV-infected individuals showed a significant antiviral effect compared with placebo.","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"For use in combination treatment of HIV infection (AIDS).","Toxicity":"","MechanismOfAction":"Viral life-cycle studies indicate that calanolide A acts early in the infection process, similar to the known HIV reverse transcriptase (RT) inhibitor 2', 3'-dideoxycytidine. In enzyme inhibition assays, calanolide A potently and selectively inhibits recombinant HIV type 1 RT but not cellular DNA polymerases or HIV type 2 RT within the concentration range tested.","Pharmacodynamics":"Calanolide A is a new non-nucleoside reverse transcriptase inhibitor (NNRTI) derived from a plant found in the Malaysian rain forest. A related compound, calanolide B, also has anti-HIV activity. Both drugs are being developed by Sarawak Pharmaceuticals. The drug is metabolised by cytochrome P450 CYP3A, and its developers have suggested that drug levels may be enhanced if co-administered with ritonavir (Norvir). The drug is active in the test tube against HIV with the two most common NNRTI-related mutations, K103N and Y181C, and selects for a mutation which does not cause cross-resistance with any other NNRTIs currently under investigation. A substitution at codon Y188H of reverse transcriptase has been associated with 30-fold resistance to calanolide A in vitro (Quan 1999). The compound is essentially inactive against strains of the less common HIV type 2.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04887","Name":"Brecanavir","DrugType":"small molecule","HalfLife":"","Description":"Brecanavir (VX-385) an orally active aspartic protease inhibitor (PI), under investigation by Vertex and GlaxoSmithKline for the treatment of HIV. In July 2006, Vertex indicated that it expected GSK to initiate phase III trials of the drug in 2007. In December of 2006 GSK announced a decision to discontinue the development of brecanavir for the treatment of HIV. The decision was based on issues regarding the formulation of the drug.","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"For the treatment of HIV-1 infection in combination with other antiretroviral agents.","Toxicity":"","MechanismOfAction":"Brecanavir inhibits the HIV viral proteinase enzyme which prevents cleavage of the gag-pol polyprotein, resulting in noninfectious, immature viral particles.","Pharmacodynamics":"Brecanavir is an orally active aspartic protease inhibitor (PI) under investigation by Vertex and GlaxoSmithKline for the treatment of HIV. Test-tube data suggest that it has activity against virus with resistance to the currently available protease inhibitors, and that it is more powerful against wild-type HIV that existing protease inhibitors, being active at concentrations much lower than most existing protease inhibitors. Unlike some other protease inhibitors, brecanavir does not have a significant interaction with the nucleotide reverse transcriptase inhibitor (NtRTI) tenofovir (Viread). In December of 2006 GlaxoSmithKline announced their decision to discontinue the development of brecanavir for the treatment of HIV. The decision was based on issues regarding the formulation of the drug.","Absorption":"Brecanavir, a CYP3A4 substrate, demonstrated low oral bioavailability in animals (0 to 30%), which increased to 60 to 100% following coadministration with oral ritonavir (a potent CYP3A inhibitor).","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04888","Name":"Bifeprunox","DrugType":"small molecule","HalfLife":"","Description":"Bifeprunox is a novel atypical antipsychotic agent which, along with SLV313, aripiprazole and SSR-181507 combines minimal D2 receptor agonism with 5-HT receptor agonism. [Wikipedia]","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"Bifeprunox is being evaluated for the treatment of schizophrenia, psychosis, and Parkinson's disease.","Toxicity":"","MechanismOfAction":"In contrast to D2 receptor antagonism, partial D2 agonism is believed to decrease dopamine activity in an overactive dopamine system while simultaneously increasing dopamine activity in regions of the brain where dopaminergic activity is too low. By blocking overstimulated receptors and stimulating underactive ones, partial D2 agonists act as dopamine stabilisers. In common with aripiprazole, bifeprunox also acts as a serotonin, 5-HT1A agonist. This property may contribute to efficacy against the negative symptoms of schizophrenia and reduce the likelihood of extrapyramidal symptoms (EPS).","Pharmacodynamics":"Bifeprunox is an atypical antipsychotic drug with mixed (agonist/antagonist) receptor activity with the neurotransmitters dopamine (D2/3/4) and serotonin. Bifeprunox differs from first-generation atypical antipsychotics in that it acts as a partial D2 agonist. This property is shared by aripiprazole, a drug already marketed in Europe and the US for treatment of schizophrenia. A placebo-controlled, dose-finding phase II trial in patients with schizophrenia showed that bifeprunox was both efficacious and well tolerated. Importantly, treatment with bifeprunox did not appear to cause some of the side effects seen with other atypicals agents in routine use, such as weight gain, hyperprolactinaemia and cardiotoxicity.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04889","Name":"Bicifadine","DrugType":"small molecule","HalfLife":"","Description":"Bicifadine (DOV-220075) is a nonopioid analgesic. It is an inhibitor of both the norepinephrine and serotonin transporters and an NMDA antagonist with a non-narcotic profile. Bicifadine was shown to have potent analgesic activity in vivo and was chosen for further development for the treatment of pain.","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"For the treatment of pain.","Toxicity":"","MechanismOfAction":"Preclinical studies and clinical trials indicate that bicifadine's analgesic properties result through the enhancement and prolongation of norepinephrine and serotonin actions, however other actions may be involved.","Pharmacodynamics":"Bicifadine is a chemically distinct molecule with a unique profile of pharmacological activity. Its primary pharmacological action is to enhance and prolong the actions of norepinephrine and serotonin by inhibiting the transport proteins that terminate the physiological actions of the two biogenic amines. Bicifadine is not a narcotic and is well-tolerated and, in preclinical studies, has been shown not to act at any opiate receptor. Bicifadine does not exhibit any anti-inflammatory activity and does not inhibit prostaglandin synthetase in vitro.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000817","Name":"Bicifadine hydrochloride"}],"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04890","Name":"Bepotastine","DrugType":"small molecule","HalfLife":"Elimination half life = 2.5 hours ","Description":"Bepotastine is a non-sedating, selective antagonist of the histamine 1 (H1) receptor. Bepotastine was approved in Japan for use in the treatment of allergic rhinitis and uriticaria/puritus in July 2000 and January 2002, respectively, and is marketed by Tanabe Seiyaku Co., Ltd. under the brand name Talion. It is available in oral and opthalmic dosage forms in Japan. The opthalmic solution is FDA approved since Sept 8, 2009 and is under the brand name Bepreve. ","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"For the symptomatic treatment of itchy eyes (caused by IgE-induced mast cell degranulation) due to allergic conjunctivitis.","Toxicity":"","MechanismOfAction":"Because of a type 1 hypersensitivity reaction cascade that is triggered by antigen exposure, allergic conjunctivitis occurs. Allergen exposure is followed by conjunctival mast cell degranulation and histamine released as a result of the formation of complementary IgE cross-links on the conjunctiva. Due to the release of histamine, symptoms such as itching can be observed. Bepotastine works to relieve itchy eyes by three primary mechanisms of action. It is a non-sedating, selective antagonist of the histamine 1 (H1) receptor, a mast cell stabilizer, and it suppresses the migration of eosinophils into inflamed tissues to prevent tissue damage and worsening of allergic inflammation of the conjunctiva. ","Pharmacodynamics":"Bepotastine is a non-sedating, selective antagonist of the histamine 1 (H1) receptor. It belongs to the second-generation piperidine chemical class. It is a mast cell stabilizer and suppresses the migration of eosinophils into inflamed tissues. Furthermore, bepotastine does not interact with serotonin, muscarinic, benzodiazepine, and beta-adrenergic receptor that would otherwise result in adverse reactions such as dry mouth or sonmolence. \r\nOnset of action = 0.25 hours; \r\nDuration of action = 12-24 hours; ","Absorption":"Tmax, after single dose, opthalmic = 1.2 hours;\r\nCmax, 1.5%, opthalmic dose = 7.3 ±1.9 ng/mL;\r\nAfter 24 hours post-installation, levels of bepotastine are below quantifiable limit of 2 ng/mL. Minimal systemic absorption with opthalmic dosage form. ","Interactions":null,"Salts":[{"ID":"DBSALT000017","Name":"Bepotastine Besilate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB04891","Name":"Becocalcidiol","DrugType":"small molecule","HalfLife":"","Description":"Becocalcidiol is a vitamin D(3) analogue which has not caused hypercalcaemia or significant irritation in preclinical trials.","Classification":{"Description":"This compound belongs to the cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.","DirectParent":"Cyclohexanols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"For topical treatment of psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"The mechanism of action of becocalcidiol in the treatment of psoriasis is accounted for by an antiproliferative activity for keratinocytes and the stimulation of epidermal cell differentiation.","Pharmacodynamics":"Becocalcidiol (formerly QRX-101) is a novel vitamin D analogue for the treatment of mild to moderate psoriasis. In clinical and preclinical studies, becocalcidiol has been well tolerated with a low incidence of skin irritation. Based on the completed Phase IIb study, becocalcidiol was statistically superior to placebo in reducing plaque and did not result in excessive blood calcium levels, a side effect of existing calcitriol topical treatments for psoriasis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04892","Name":"Phenserine","DrugType":"small molecule","HalfLife":"8 to 10 hours","Description":"Phenserine is under development by Axonyx, a US biopharmaceutical company that focuses on treatments for dementia. Phenserine is a next generation acetylcholinesterase (AChE) inhibitor indicated for the treatment of AD. Unlike currently marketed AChE inhibitors, it has a dual mechanism of action that also includes anti-amyloid activity, which may confer disease-modifying effects in patients with AD. If this is substantiated in an ongoing clinical trial then phenserine may open the door to an entirely new type of treatment for AD. Axonyx announced on 20 September 2005 that phenserine was ineffective in two curtailed phase 3 trials.","Classification":{"Description":"This compound belongs to the pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole.","DirectParent":"Pyrroloindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyrroloindoles"},"Indication":"For the treatment of Alzheimer's disease (AD).","Toxicity":"The toxicity of phenserine, a derivate of physostigmine, is dramatically less. Doses of 20 mg/kg (rats, intravenous) of phenserine have not been associated with toxicity or deaths.","MechanismOfAction":"Phenserine is a highly selective, reversible acetylcholinesterase inhibitor, a mechanism of action known to improve memory and cognition in Alzheimer’s subjects. Phenserine may prove to concentrate in the brain rapidly which would reduce the incidence of drug toxicity and side effects.","Pharmacodynamics":"Phenserine, a phenylcarbamate of physostigmine, is a reversible acetyl-selective cholinesterase inhibitor. In studies of rats with lesions of the forebrain cholinergic system, injections of phenserine was found to significantly decrease the levels of secreted beta-APP in the CSF of the rats. A study on cultured human brain cells found that phenserine reduces Abeta levels by regulating beta-APP translation.","Absorption":"Rapidly absorbed and cleared from the body.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04893","Name":"AZD3409","DrugType":"small molecule","HalfLife":"15–20 hours for the thiol-ester intermediate and 15–30 hours for the active thiol-acid metabolite.\r\n","Description":"AZD3409 is a farnesyl-transferase inhibitor (FAR) indicated for the treatment of solid tumors. Phase I trials were initiated January 2003, and were ongoing as of February 2004. As of February 2007 the development of AZD3409 had been discontinued.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of solid tumors.","Toxicity":"","MechanismOfAction":"In preclinical studies, AZD3409 achieves up to 90% inhibition of FTase in tumors at well tolerated doses. In enzyme studies AZD3409 is also known to inhibit GGTase-1.","Pharmacodynamics":"AZD3409 is a novel, oral, antitumor agent that acts as a prenyl transferase inhibitor. It has potentially broad antitumor activity both as monotherapy and in combination with other anticancer treatments. AZD3409 is a double pro-drug; its metabolism involves conversion to a thiol-ester intermediate, then, intracellularly, to a thiol-acid active species. Phase I trials were initiated January 2003, and were ongoing as of February 2004. Recent studies have shown that AZD3409 is a potent inhibitor of both prostate epithelial cell proliferation and cellular invasion, without an associated bone marrow cellular toxicity.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04894","Name":"Vapreotide","DrugType":"small molecule","HalfLife":"30 minutes","Description":"Vapreotide is a synthetic octapeptide somatostatin analog. It was being studied for the treatment of cancer.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of esophageal variceal bleeding in patients with cirrhotic liver disease and has also shown efficacy in the treatment of patients with AIDS-related diarrhea.","Toxicity":"Safety data are limited, however, headache, fatigue, diarrhea, nausea, vomiting, and abdominal pain have been reported commonly with the use of vapreotide.","MechanismOfAction":"The exact mechanism of action is unknown, although one study has provided in vitro and in vivo evidence for a tachykinin NK1 receptor antagonist effect in the analgesic effects of vapreotide (PMID: 7556407).","Pharmacodynamics":"Vapreotide is a somatostatin analog with a higher metabolic stability than the parent hormone. Vapreotide reduces splanchnic blood flow; inhibits growth hormone release, and inhibits the release of peptides and vasoactive compounds from neuroendocrine tumors.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000535","Name":"Vapreotide acetate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04895","Name":"Pegaptanib","DrugType":"biotech","HalfLife":"In humans, after a 3 mg monocular dose (10 times the recommended dose), the average (\u0026#177; standard deviation) apparent plasma half-life of pegaptanib is 10 (\u0026#177; 4) days.","Description":"Pegaptanib is a polynucleotide aptamer. Pegaptanib specifically binds to VEGF 165, a protein that plays a critical role in angiogenesis (the formation of new blood vessels) and increased permeability (leakage from blood vessels), two of the primary pathological processes responsible for the vision loss associated with neovascular AMD. [Wikipedia]","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of neovascular (wet) age-related macular degeneration.","Toxicity":"It is not known if pegaptanib is safe in pregnant women or if it is excreted in breast milk. Likewise, no studies have been done in the pediatric population. Most adverse events elated to the drug are ocular however non-ocular adverse events related to the drug or the injection procedure also occurred, among which headaches and rhinorrhoea appeared in more than 1% of patients. Pegaptanib is contraindicated when the patient has an ocular or periocular infection.","MechanismOfAction":"Pegaptanib sodium is a pegylated aptamer, a modified oligonucleotide, which adopts a three- dimensional conformation that enables it to bind to extracellular VEGF with high affinity and selectivity. Pegaptanib sodium binds to the major pathological VEGF isoform, extracellular VEGF165, with high affinity (Kd = 200 pM) and specificity, thereby inhibiting VEGF165 binding to its VEGF receptors. In contrast virtually no binding of the non-pegylated aptamer to VEGF121 or the VEGF -related proteins VEGF-B, VEGF-C and placental growth factor (PlGF) was detected using invitro filter binding assays. Pegaptanib sodium does not bind significantly to VEGF121. In animal models, VEGF164 (the rodent counterpart of human VEGF165) was specifically upregulated in disease. The selective inhibition of VEGF164 with pegaptanib sodium proved as effective at suppressing pathological neovascularization as pan-VEGF inhibition7, however pegaptanib sodium spared the normal vasculature whereas pan-VEGF inhibition did not.","Pharmacodynamics":"Pegaptanib is a selective vascular endothelial growth factor (VEGF) antagonist. VEGF is a secreted protein that selectively binds and activates its receptors located primarily on the surface of vascular endothelial cells. VEGF induces angiogenesis, and increases vascular permeability and inflammation, all of which are thought to contribute to the progression of the neovascular (wet) form of age-related macular degeneration (AMD), a leading cause of blindness. VEGF has been implicated in blood retinal barrier breakdown and pathological ocular neovascularization.","Absorption":"In animals, pegaptanib is slowly absorbed into the systemic circulation from the eye after intravitreous administration.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04896","Name":"Milnacipran","DrugType":"small molecule","HalfLife":"The terminal elimination half-life, when given to healthy subjects is 6-8 hours. When given to severe renal impairment patients is 7 - 10 hours. The active enantiomer, d-milnacipran, has a longer elimination half-life (8-10 hours) than the l-enantiomer (4-6 hours). ","Description":"Milnacipran is an antidepressant of the serotonin-norepinephrine reuptake inhibitor class. It more potently inhibits norepinephrine uptake than serotonin. It is provided as a racemic mixture. FDA approved in January 2009. ","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"Milnacipran is used to treat moderate to severe clinical depression but this indication is not yet FDA-approved in the USA. Milnacipran is labelled for the treatment of fibromyalgia pain. ","Toxicity":"LD50, oral, rat: 213 mg/kg. The most frequently occurring adverse reactions (≥ 5% and greater than placebo) were nausea, headache, constipation, dizziness, insomnia, hot flush, hyperhidrosis, vomiting, palpitations, heart rate increased, dry mouth, and hypertension. ","MechanismOfAction":"Milnacipran inhibits norepinephrine and serotonin reuptake in a 3:1 ratio, in practical use this means a balanced (equal) action upon both transmitters. The serotonin reuptake inhibition is likely to improve depression, while the norepinephrine reuptake inihibition probably improves chronic pain. Milnacipran exerts no significant actions on postynaptic H1, alpha-1, D1, D2, and muscarinic receptors, as well as on benzodiazepine/opiate binding sites. [Wikipedia]","Pharmacodynamics":"Although milnacipran prolongs the QTc interval, the increase is not considered clinically significant. ","Absorption":"Milnacipran is well absorbed following oral administration with an absolute bioavailability of 85-90%. Meals have no effect on absorption. Peak concentrations occur 2 -4 hours post-administration and is delayed in elderly patients. \r\nTime to steady state = 36 - 48 hours; ","Interactions":[{"ID":"DB00575"},{"ID":"DB06700"},{"ID":"DB00390"},{"ID":"DB00614"},{"ID":"DB06704"},{"ID":"DB01247"},{"ID":"DB01171"},{"ID":"DB01626"},{"ID":"DB00780"},{"ID":"DB01168"},{"ID":"DB01367"},{"ID":"DB00752"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000119","Name":"Milnacipran Hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB04897","Name":"Lucinactant","DrugType":"biotech","HalfLife":"","Description":"Lucinactant is a new synthetic peptide-containing surfactant for intratracheal use. It contains sinapultide, a novel, hydrophobic, 21-amino acid peptide (leucine and lysine repeating units, KL4 peptide) designed to mimic human surfactant protein-B (SB-P). More specifically, it mimics the C-terminal amphipathic helical domain of this protein. It also consists of phospholipids (dipalmitoylphosphatidylcholine, DPPC and palmitoyloleoyl phosphatidylglycerol, POPG) and a fatty acid (palmitic acid). It is completely devoid of animal-derived components. FDA approved on March 6, 2012. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the prevention of respiratory distress syndrome (RDS) in premature infants at high risk for RDS. ","Toxicity":"Most common adverse reactions associated with the use of lucinactant are endotracheal tube reflux, pallor, endotracheal tube obstruction, and need for\r\ndose interruption.","MechanismOfAction":"Pulmonary surfactant is a lipoprotein complex that is produced naturally in the lungs, where it lines the alveolar epithelium and serves to reduce surface tension, which facilitates alveoli expansion and allows gas exchange. Human surfactants contain phospholipids, predominantly dipalmitoylphosphatidylcholine (DPPC), in addition to surfactant proteins A, B, C and D. Surfactant is also a physical barrier to inhaled particle and noxious agents, enhances particle clearance, is involved in host defense against infection and possesses antiinflammatory properties. Several serious respiratory disorders have been associated with a loss or lack of endogenous surfactant. Lucinactant was designed to mimic the essential endogenous human surfactant protein B (SP-B). ","Pharmacodynamics":"Lucinactant is a new synthetic surfactant containing a protein that mimics human surfactant protein-B, is effective at preventing respiratory distress syndrome (RDS) and related complications in preterm infants. Lucinactant has been shown to have antiinflammatory properties, is resistant to proteolytic degradation and oxidation, and has no potential for transmitting animal-derived diseases. Lucinactant has proven safe and effective in the prevention of RDS in preterm infants and as a treatment for MAS in full-term infants and for adult ARDS.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04898","Name":"Ximelagatran","DrugType":"small molecule","HalfLife":"3-5 hours","Description":"Ximelagatran (Exanta® or Exarta®, H 376/95) is an anticoagulant that has been investigated extensively as a replacement for warfarin that would overcome the problematic dietary, drug interaction, and monitoring issues associated with warfarin therapy. In 2006, its manufacturer AstraZeneca announced that it would not attempt to market ximelagatran after reports of hepatotoxicity (liver damage) during trials, and to discontinue its distribution in countries where the drug had been approved.","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of acute deep vein thrombosis.","Toxicity":"Hepatotoxicity (liver damage) was reported during trials.","MechanismOfAction":"Ximelagatran was the first member of the drug class of direct thrombin inhibitors that can be taken orally. It acts solely by inhibiting the actions of thrombin. Ximelagatran is a prodrug, being converted in vivo to the active agent melagatran.","Pharmacodynamics":"","Absorption":"Rapidly absorbed by the small intestine with an oral bioavailability of 20%.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":[{"ID":"SMP00279","Drugs":["DB01373","DB04898"]}]},{"ID":"DB04899","Name":"Nesiritide","DrugType":"biotech","HalfLife":"Approximately 18 minutes","Description":"Nesiritide is a medication used to treat acutely decompensated congestive heart failure with dyspnea at rest or with minimal exertion (such as talk, eating or bathing). Nesiritide is the recombinant form of the 32 amino acid human B-type natriuretic peptide, which is normally produced by the ventricular myocardium.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the intravenous treatment of patients with acutely decompensated congestive heart failure who have dyspnea at rest or with minimal activity.","Toxicity":"No data are available with respect to overdosage in humans. The expected reaction would be excessive hypotension, which should be treated with drug discontinuation or reduction and appropriate measures.\r\n","MechanismOfAction":"Human BNP binds to the particulate guanylate cyclase receptor of vascular smooth muscle and endothelial cells, leading to increased intracellular concentrations of guanosine 3'5'-cyclic monophosphate (cGMP) and smooth muscle cell relaxation. Cyclic GMP serves as a second messenger to dilate veins and arteries. Nesiritide has been shown to relax isolated human arterial and venous tissue preparations that were precontracted with either endothelin-1 or the alpha-adrenergic agonist, phenylephrine. In human studies, nesiritide produced dose-dependent reductions in pulmonary capillary wedge pressure (PCWP) and systemic arterial pressure in patients with heart failure. In animals, nesiritide had no effects on cardiac contractility or on measures of cardiac electrophysiology such as atrial and ventricular effective refractory times or atrioventricular node conduction. Naturally occurring atrial natriuretic peptide (ANP), a related peptide, increases vascular permeability in animals and humans and may reduce intravascular volume. The effect of nesiritide on vascular permeability has not been studied.\r\n","Pharmacodynamics":"Nesiritide works to facilitate cardiovascular fluid homeostasis through counterregulation of the renin-angiotensin-aldoesterone system, stimulating cyclic guanosine monophosphate, leading to smooth muscle cell relaxation. In simpler terms, it promotes vasodilation, natriuresis, and diuresis.","Absorption":"Administration of nesiritide exhibits biphasic disposition from the plasma.","Interactions":[{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04900","Name":"Thymalfasin","DrugType":"biotech","HalfLife":"Approximately 2 hours. There is no evidence of accumulation following multiple subcutaneous doses.","Description":"Thymalfasin is a chemically synthesized version of thymosin alpha 1 that is identical to human thymosin alpha 1. Thymosin alpha 1 is an acetylated polypeptide.Thymosin alpha 1 is now approved in 35 developing countries for the treatment of Hepatitis B and C. It is also used to boost the immune response in the treatment of other diseases.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Indicated as an adjuvant for influenza vaccine in elderly patients and as an adjuvant for both influenza and hepatitis B vaccines in chronic hemodialysis patients who failed to achieve adequate antibody titers from previous immunization.","Toxicity":"There are no reported instances of deliberate or accidental overdosage in humans. Animal toxicology studies have shown no adverse reactions in single doses up to 20 mg/kg and in repeated doses up to 6 mg/kg/day for 13 weeks, which were the highest doses studied. The highest single dose tested in animals represents 800-times the clinical dose.","MechanismOfAction":"The mechanism of action of thymalfasin is not completely understood but is thought to be related to its immunomodulating activities, centered primarily around augmentation of T-cell function. In various in vitro assays, thymosin alpha 1 has been shown to promote T-cell differentiation and maturation; for example, CD4+, CD8+, and CD3+ cells have all been shown to be increased. Thymosin alpha 1 has also been shown to increase production of IFN-g, IL-2, IL-3, and expression of IL-2 receptor following activation by mitogens or antigens, increase NK cell activity, increase production of migratory inhibitory factor (MIF), and increase antibody response to T-cell dependent antigens. Thymosin alpha 1 has also been shown to antagonize dexamethasone-induced apoptosis of thymocytes in vitro. In vivo administration of thymosin alpha 1 to animals immunosuppressed by chemotherapy, tumor burden, or irradiation showed that thymosin alpha 1 protects against cytotoxic damage to bone marrow, tumor progression and opportunistic infections, thereby increasing survival time and number of survivors. Many of the in vitro and in vivo effects of thymosin alpha 1 have been interpreted as influences on either differentiation of pluripotent stem cells to thymocytes or activation of thymocytes into activated T-cells. Thymalfasin also has been shown in vitro to upregulate expression of toll like receptors (TLR) including TLR2 and TLR9 in mouse and human dendritic cells, as well as activate NF-kB and JNK/P38/AP1 pathways. Thymalfasin's activation of dendritic cells provides another possible pathway explaining thymalfasin's immunomodulatory and antiviral effects. ","Pharmacodynamics":"Thymalfasin is a 28-amino acid polypeptide produced synthetically but originally isolated from thymosin fraction 5, a bovine thymus extract containing a number of immunologically active peptides. In vitro studies have shown that Thymalfasin can influence T-cell production and maturation, stimulate production of Th1 cytokines such as interferon-gamma and interleukin-2, and activate natural killer cell-mediated cytotoxicity.","Absorption":"Rapidly absorbed with peak serum levels achieved at approximately 2 hours.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04901","Name":"Galiximab","DrugType":"biotech","HalfLife":"13 to 24 days","Description":"Galiximab is a chimeric monoclonal antibody which is used as an immunosuppressive drug.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in lymphoma (non-hodgkin's), psoriasis and psoriatic disorders, bone metastases, multiple myeloma, prostate cancer, and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"Galiximab, an IgG(1) anti-CD80 antibody, binds to CD80, a costimulatory molecule involved in T-cell activation. Reduction in lesional, activated T cells induces improvement in psoriatic plaques.","Pharmacodynamics":"Galiximab is a monoclonal antibody that is being studied in the treatment of follicular non-Hodgkin lymphoma. Monoclonal antibodies are made in the laboratory and can locate and bind to cancer cells. Galiximab binds to the protein CD80, which is found on certain normal and cancerous white blood cells.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04902","Name":"AZD6140","DrugType":"small molecule","HalfLife":"","Description":"AZD6140 is an investigational antiplatelet agent being studied for the prevention of thrombotic events in patients with ACS. AZD6140 is proposed to work by inhibiting the aggregation of platelets in the blood, which may reduce the risk of clot formation. AZD6140 is being studied as a reversible oral ADP receptor antagonist for acute coronary syndrome. It is proposed to selectively inhibit the P2Y12 receptor, a key target receptor for ADP on platelets. AZD6140 is currently in phase III development.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Intended for the prevention of thrombotic events in patients with ACS.","Toxicity":"","MechanismOfAction":"AZD6140 is being studied as the first reversible oral adenosine diphosphate (ADP) receptor antagonist for acute coronary syndromes (ACS). It is proposed to selectively inhibit the P2Y12 receptor, a key target receptor for ADP on platelets.","Pharmacodynamics":"AZD6140 is an investigational antiplatelet agent being studied for the prevention of thrombotic events in patients with ACS. AZD6140 is proposed to work by inhibiting the aggregation of platelets in the blood, which may reduce\r\nthe risk of clot formation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04903","Name":"Pagoclone","DrugType":"small molecule","HalfLife":"","Description":"Pagoclone is an anxiolytic drug from the cyclopyrrolone family, which is related to other more well known drugs such as the sleeping medication zopiclone. It is one of a relatively recently developed class of medicines known as the nonbenzodiazepines, which have similar effects to the older benzodiazepine group, but with quite different chemical structures.","Classification":{"Description":"This compound belongs to the naphthyridines. These are compounds containing a naphthyridine moeity, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.","DirectParent":"Naphthyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":""},"Indication":"For the potential treatment of panic and anxiety disorders.","Toxicity":"","MechanismOfAction":"Pagoclone is a subtype-selective drug which binds primarily to the alpha2/alpha3 subtypes of the GABAA receptor which are responsible for the anti-anxiety effects of these kind of drugs, but has relatively little efficacy at the alpha1 subtype which produces the sedative and memory loss effects.","Pharmacodynamics":"Pagoclone was originally developed as an anti-anxiety drug, but never commercialised. It is a partial agonist acting at GABAA receptors in the brain. In contrast to zopiclone, pagoclone produces anxiolytic effects with little or no sedative or amnestic actions at low doses.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04904","Name":"Amolimogene","DrugType":"biotech","HalfLife":"","Description":"Amolimogene is an investigational therapeutic designed to specifically augment the body's defensive response to human papillomavirus (HPV). Amolimogene was biologically engineered as a targeted therapy for the treatment of cervical dysplasia.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of cervical dysplasia associated with the human papillomavirus (HPV).","Toxicity":"","MechanismOfAction":"Amolimogene particles are injected into the leg muscle and encounter cells known as antigen presenting cells, which play a pivotal role in activating the immune system. Once inside the dendritic cells, amolimogene dissolves and the genetic information that codes for parts of the HPV virus is released. The information is then processed, attaches to a protein and transported to the surface of the dendritic cell, attracting immune cells known as T cells. The T cells attach to the protein holding the information and begin to divide, creating many HPV targeted T cells. These cells migrate to the cervix where they encounter HPV expressing cells. Once inside the cervix, the T cells surround and eliminate the abnormal precancerous cells that cause cervical dysplasia. The result can be normal, healthy tissue.","Pharmacodynamics":"Amolimogene was shown to be well tolerated in all patients and to promote the resolution of CIN 2/3 in women younger than 25 years.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04905","Name":"Tesmilifene","DrugType":"small molecule","HalfLife":"","Description":"Tesmilifene is a novel potentiator of chemotherapy which, when added to doxorubicin, achieved an unexpected and very large survival advantage over doxorubicin alone in a randomized trial in advanced breast cancer.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"Although the exact mechanism of action is not known, one study (PMID: 16413681) proposes that tesmilifene may be an activating p-gp substrate, which enables the p-gp pump to extrude typical p-gp substrates (such as anthracyclines or taxanes) more efficiently. This process consumes ATP, since the p-gp is absolutely, and highly dependent on ATP hydrolysis. The mechanism of cell death is likely to result not from the presence of chemotherapy inside the cell (in fact the chemotherapy is extruded) but, directly or indirectly, from the enhanced consumption of ATP. The ATP may be consumed below a threshold necessary for survival, or, (more likely) the enhanced ATP production required to maintain ATP levels may result in the generation of reactive oxygen species (ROS) to an extent that overwhelms the cell’s ability to inactivate them. The result would be additional cell death, but only in the mdr+ population. The doxorubicin would continue to act on the drug sensitive remainder of the cell population, but without the help of tesmilifene.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04906","Name":"ISA247","DrugType":"small molecule","HalfLife":"","Description":"ISA247 is a novel cyclosporine analog. It is an immunosuppressive compound currently being investigated for the treatment of psoriasis and for the prevention of organ rejection in kidney transplant patients. All studies to date suggest that ISA247 is more potent and less toxic than currently available treatments within the drug class of calcineurin inhibitors.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in autoimmune diseases, eye disorders/infections, immunosuppressive, kidney transplant surgery, psoriasis and psoriatic disorders, rheumatoid arthritis, and transplant (rejection).","Toxicity":"","MechanismOfAction":"ISA247 inhibits calcineurin. As a consequence, it inhibits T cell activation by blocking the transcription of early cytokines.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04907","Name":"EG009","DrugType":"biotech","HalfLife":"","Description":"Cerepro is a novel gene-based product for the treatment of patients with operable high grade glioma, a type of malignant brain tumour, given in addition to standard surgery and radiotherapy/chemotherapy. It is being developed by Ark Therapeutics.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of brain cancer.","Toxicity":"","MechanismOfAction":"EG009 works by delivering a gene into the healthy brain cells remaining after the tumour has been removed. These then produce an enzyme that kills the cells trying to divide, preventing a recurrence of a tumour.","Pharmacodynamics":"EG009 is comprised of a gene encased in a virus vector. Vectors transfer their gene payload into target cells, a process known as transfection, which use this new genetic material as a blueprint for the production of new beneficial proteins. EG009 uses a well-established adenoviral vector (Ad5) to introduce the gene that causes cells to express a protein called thymidine kinase (TK). Following the standard surgery to remove the solid tumour mass, EG009 is injected through the wall of the cavity left behind by the surgical removal of the solid tumour, into the surrounding healthy brain tissue. In the following days, the healthy cells in the wall of the cavity express TK. Five days after surgery, the drug ganciclovir (GCV) is given to the patient as part of the overall EG009 treatment regimen. Neither TK nor GCV is individually active but they react together to produce a substance which destroys cells when they try to divide. Since cell division is a key characteristic of cancer and the normal brain cells are not dividing, cells that try to divide to form a new tumour around the site of the removal of the original tumour are targeted for destruction by the EG009 treatment. EG009 thus works by harnessing healthy cells to produce the substances necessary to destroy newly growing cancer cells.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04908","Name":"Flibanserin","DrugType":"small molecule","HalfLife":"","Description":"Flibanserin is a drug produced by Boehringer Ingelheim. It is currently being investigated as a drug for women suffering from decreased sexual desire. It is a 5-HT1A serotonin receptor agonist that had initially been developed as an anti-depressant. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"For the treatment of sexual dysfunction in women.","Toxicity":"","MechanismOfAction":"Flibanserin has preferential affinity for serotonin 5-HT(1A), dopamine D(4k), and serotonin 5-HT(2A) receptors. In vitro and in microiontophoresis, flibanserin behaves as a 5-HT(1A) agonist, a very weak partial agonist on dopamine D(4) receptors, and a 5-HT(2A) antagonist. In vivo flibanserin binds equally to 5-HT(1A) and 5-HT(2A) receptors. However, under higher levels of brain 5-HT (i.e., under stress), flibanserin may occupy 5-HT(2A) receptors in higher proportion than 5-HT(1A) receptors.\r\n","Pharmacodynamics":"Flibanserin is a drug produced by Boehringer Ingelheim. It is currently being investigated as a drug for women suffering from decreased sexual desire. It is a 5-HT1A serotonin receptor agonist that had initially been developed as an anti-depressant. Flibanserin displays antidepressant-like activity in most animal models sensitive to antidepressants. Such activity, however, seems qualitatively different from that exerted by other antidepressants. Flibanserin seems to act via direct or indirect stimulation of 5-HT(1A), DA, and opioid receptors in those animal models.","Absorption":"Orally available.\r\n","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04909","Name":"Sitamaquine","DrugType":"small molecule","HalfLife":"","Description":"Sitamaquine (WR-6026) is an orally active 8-aminoquinoline analog in development by the Walter Reed Army Institute, in collaboration with GlaxoSmithKline (formerly SmithKline Beecham), for the potential treatment of visceral leishmaniasis.","Classification":{"Description":"This compound belongs to the hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group.","DirectParent":"Hydroxyquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroxyquinolines"},"Indication":"Investigated for use/treatment in infectious and parasitic disease (unspecified).","Toxicity":"","MechanismOfAction":"The mechanism of plasmodicidal action of sitamaquine is not completely understood. Like other quinoline derivatives, it is thought to inhibit heme polymerase activity. This results in accumulation of free heme, which is toxic to the parasites.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04910","Name":"Oxibendazole","DrugType":"small molecule","HalfLife":"","Description":"Oxibendazole is a polymerase inhibitor in phase III trials for the treatment of helminth intestinal infections.","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"Investigated for use/treatment in infectious and parasitic disease (unspecified) and pediatric indications.","Toxicity":"","MechanismOfAction":"Oxibendazole causes degenerative alterations in the tegument and intestinal cells of the worm by binding to the colchicine-sensitive site of tubulin, thus inhibiting its polymerization or assembly into microtubules. The loss of the cytoplasmic microtubules leads to impaired uptake of glucose by the larval and adult stages of the susceptible parasites, and depletes their glycogen stores. Degenerative changes in the endoplasmic reticulum, the mitochondria of the germinal layer, and the subsequent release of lysosomes result in decreased production of adenosine triphosphate (ATP), which is the energy required for the survival of the helminth. Due to diminished energy production, the parasite is immobilized and eventually dies.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04911","Name":"Oritavancin","DrugType":"small molecule","HalfLife":"The mean (range) plasma terminal half-life of oritavancin is 195.4 (135.8-273.8) hours across all dose levels from 0.05-0.5 mg/kg.","Description":"Oritavancin (INN, also known as LY333328) is an investigational glycopeptide antibiotic with bactericidal activity effective in treating infections caused by Gram-positive organisms. The clinical efficacy of oritavancin has not yet been determined.","Classification":{"Description":"This compound belongs to the trihexoses. These are trisaccharides containing three hexose carbohydrates.","DirectParent":"Trihexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Trisaccharides"},"Indication":"Investigated for use/treatment in bacterial infection and skin infections/disorders.","Toxicity":"","MechanismOfAction":"Oritavancin is a glycopeptide antibiotic. This class of drugs inhibit the synthesis of cell walls in susceptible microbes by inhibiting peptidoglycan synthesis. They bind to the amino acids within the cell wall preventing the addition of new units to the peptidoglycan. In particular they bind to acyl-D-alanyl-D-alanine in peptidoglycan.","Pharmacodynamics":"Oritavancin is an investigational glycopeptide antibiotic with bactericidal activity effective in treating infections caused by Gram-positive organisms. It treats complicated skin and skin structure infections. This new drug will be tested for treatment of bacteraemia and nosocomial pneumonia. It demonstrates similar activity to vancomycin, but it has stronger activity against Staphylococcus and Enterococcus. The pharmacokinetics and pharmacodynamics of oritavancin appear to be favourable and once-daily dosing is likely. The incidence of multi-drug resistant bacteria is increasing and explorations into additional treatment options are essential.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04912","Name":"Stannsoporfin","DrugType":"small molecule","HalfLife":"3.8 hours following i.v. administration of 1 mumole per kg body weight","Description":"Stannsoporfin is a competitive heme oxygenase (HO) inhibitor being developed by InfaCare, a subsidiary of WellSpring Pharmaceuticals, for the prevention of hyperbilirubinemia in infants at risk of developing jaundice.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in liver disease, metabolic disease, and pediatric indications.","Toxicity":"","MechanismOfAction":"Kernicterus is attributed to high levels of bilirubin, a by-product of heme metabolism. Bilirubin is a bile pigment, which is normally eliminated from the body after conversion into a water-soluble form by the liver. Stannsoporfin's mechanism of action specifically inhibits the enzyme that blocks the conversion of heme into bilirubin.","Pharmacodynamics":"Stannsoporfin is a chemical compound being investigated for use as a medicament in the treatment of infant jaundice. Stannsoporfin is also known to inhibit heme metabolism in mammals, to control the rate of tryptophan metabolism in mammals, and to increase the rate at which heme is excreted by mammals.","Absorption":"Not absorbed orally","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04914","Name":"G17DT","DrugType":"biotech","HalfLife":"","Description":"G17DT is a vaccine that neutralises gastrin-17, a hormone required for the growth of a number of cancers of the gastrointestinal tract. It is in phase III trials for advanced pancreatic cancer as a monotherapy and in combination with gemcitabine. It is also in a phase II/III trial for advanced stomach cancer in combination with 5-fluorouracil and cisplatin and in a late phase II trial for advanced colorectal cancer in combination with irinotecan.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"When administered, G17DT induces an immune response producing antibodies which bind with the peptide and also cross-react and neutralise gastrin 17 thus inhibiting the growth of gastrointestinal cancers and metastasis. In addition the product neutralizes glycine-extended gastrin 17 which is also a stomach and pancreatic cancer growth factor.\r\n","Pharmacodynamics":"G17DT is a vaccine which neutralizes the gastrin 17 (G17) hormone and glycine-extended gastrin 17. G17 is a growth factor for pancreatic, stomach and colorectal cancers, and a potent stimulator of gastric acid secretion. G17DT consists of a protein carrier (Diptheria Toxoid) and a synthetic peptide which is similar to a portion of the gastrin 17 hormone. These are contained in a 'slow-release' liquid suspension vehicle for intramuscular administration. G17DT is administered by injection, the initial schedule for injection is unclear at present but booster \r\ndoses are given at approximately six monthly intervals.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04915","Name":"Phenoxodiol","DrugType":"small molecule","HalfLife":"","Description":"Phenoxodiol is a substance that is being studied in the treatment of cancer. It belongs to the family of drugs called signal transduction inhibitors.","Classification":{"Description":"This compound belongs to the isoflav-3-enes.","DirectParent":"Isoflav-3-enes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Isoflavonoids","SubClass":"Isoflav-3-enes"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"The antiproliferative effects of phenoxodiol are associated with inhibition of plasma membrane electron transport in tumour cell lines and primary immune cells. Results from one study (PMID: 17904534) indicate that plasma membrane electron transport (PMET) may be a primary target for phenoxodiol in tumour cells and in activated T cells.","Pharmacodynamics":"Phenoxodiol inhibits proliferation of many cancer cell lines and induces apoptosis by disrupting FLICE-inhibitory protein, FLIP, expression and by caspase-dependent and -independent degradation of the X-linked inhibitor of apoptosis, XIAP. In addition, phenoxodiol sensitizes drug-resistant tumour cells to anticancer drugs including paclitaxel, carboplatin and gemcitabine.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04917","Name":"Renzapride","DrugType":"small molecule","HalfLife":"","Description":"Renzapride is currently in Phase III clinical development in the United States for the treatment of constipation-predominant irritable bowel syndrome (IBS-C). It is also potentially effective for irritable bowel syndrome with alternating stool pattern (IBS-A). It is being developed by Alizyme of the UK. [Wikipedia]","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the treatment of constipation-predominant irritable bowel syndrome (IBS-C).","Toxicity":"","MechanismOfAction":"Renzapride is a full serotonin 5-HT4 receptor agonist and partial serotonin 5-HT3 receptor antagonist.","Pharmacodynamics":"Renzapride is a substituted benzamide which acts on the upper gastrointestinal tract. It has been shown to enhance stomach emptying in normal subjects; doses of 2 and 5 mg decreasing by 21 and 37% respectively the volume of gastric contents aspirated 80 min after a test meal. Renzapride was found to reduce the oro-caecal transit time as assessed by the lactulose/breath hydrogen method in a dose related manner from 0.2 to 5 mg; the later dose producing a 62% reduction.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04918","Name":"Ceftobiprole","DrugType":"small molecule","HalfLife":"","Description":"Ceftobiprole is an experimental cephalosporin antibiotic with activity against methicillin-resistant \u003ci\u003eStaphylococcus aureus\u003c/i\u003e. It was discovered by Basilea Pharmaceutica and is being developed by Johnson \u0026amp; Johnson Pharmaceutical Research and Development. Ceftobiprole is the first cephalosporin to demonstrate clinical efficacy in patients with infections due to methicillin-resistant staphylococci and, if approved by regulatory authorities, is expected to be a useful addition to the armamentarium of agents for the treatment of complicated skin infections and pneumonia.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For the treatment of serious bacterial infections in hospitalised patients.","Toxicity":"","MechanismOfAction":"Cephalosporins, such as ceftobiprole, are bactericidal and have the same mode of action as other beta-lactam antibiotics (such as penicillins). Cephalosporins disrupt the synthesis of the peptidoglycan layer of bacterial cell walls. The peptidoglycan layer is important for cell wall structural integrity, especially in Gram-positive organisms. The final transpeptidation step in the synthesis of the peptidoglycan is facilitated by transpeptidases known as penicillin binding proteins (PBPs). PBPs bind to the D-Ala-D-Ala at the end of muropeptides (peptidoglycan precursors) to crosslink the peptidoglycan. Beta-lactam antibiotics mimic this site and competitively inhibit PBP crosslinking of peptidoglycan.","Pharmacodynamics":"Ceftobiprole, a cephalosporin antibiotic, is active against methicillin-resistant \u003ci\u003eStaphylococcus aureus\u003c/i\u003e.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04919","Name":"Alfimeprase","DrugType":"biotech","HalfLife":"","Description":"Alfimeprase is a recombinant analog of fibrolase. Fibrolase is a zinc-containing metalloproteinase isolated from the venom of the southern copperhead snake (\u003ci\u003eAgkistrodon contortrix contortrix\u003c/i\u003e). It is a small protein that contains 203 residues (Randolph et al. 1992). Alfimeprase is being developed by Nuvelo.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Alfimeprase is being evaluated as a potential treatment for acute ischemic stroke, catheter occlusion (CO) and acute peripheral arterial occlusion (PAO).","Toxicity":"","MechanismOfAction":"When delivered locally at the site of a blood clot, alfimeprase has the potential, through a unique mechanism of action, to directly and rapidly degrade fibrin, a protein that provides the scaffolding for blood clots. In addition, alfimeprase's thrombolytic activity appears to be localized to the site of delivery because it is rapidly inactivated by alpha-2 macroglobulin, a naturally occurring protein in the blood, as it moves away from the site of delivery and into the general blood circulation.","Pharmacodynamics":"Alfimeprase is a recombinant direct acting fibrinolytic (rDAF), or blood clot dissolver, that has the potential to rapidly and directly degrade fibrin, a protein that provides the scaffolding for blood clots, when delivered through a catheter to the site of a blood clot.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04920","Name":"Clevidipine","DrugType":"small molecule","HalfLife":"1 minute","Description":"Clevidipine is a dihydropyridine L-type calcium channel blocker that is selective for vascular smooth muscle and is indicated for blood pressure reduction when oral therapy is not an option. ","Classification":{"Description":"This compound belongs to the dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.","DirectParent":"Dihydropyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"For the treatment of hypertension.","Toxicity":"","MechanismOfAction":"Possibly by deforming the channel, inhibiting ion-control gating mechanisms, and/or interfering with the release of calcium from the sarcoplasmic reticulum, clevidipine inhibits the influx of extracellular calcium across both the myocardial and vascular smooth muscle cell membranes. The resultant inhibition of the contractile processes of the myocardial smooth muscle cells leads to dilation of the coronary and systemic arteries and improved oxygen delivery to the myocardial tissue.","Pharmacodynamics":"Clevidipine belongs to a well-known class of drugs called dihydropyridine calcium channel antagonists. Clevidpine is the first third generation intravenous dihydropyridine calcium channel blocker. In vitro studies demonstrated that clevidipine acts by selectively relaxing the smooth muscle cells that line small arteries, resulting in arterial dilation, widening of the artery opening, and without reducing central venous pressure or reducing cardiac output.","Absorption":"","Interactions":[{"ID":"DB00374"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04921","Name":"MBP8298","DrugType":"biotech","HalfLife":"","Description":"MBP8298 is a synthetic peptide that consists of 17 amino acids linked in a sequence identical to that of a portion of human myelin basic protein (MBP). MBP8298 has been developed for the treatment of multiple sclerosis (MS). Developed at the University of Alberta, MBP8298 is being investigated by BioMS Medical Corp.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of multiple sclerosis (MS).","Toxicity":"","MechanismOfAction":"The apparent mechanism of action of MBP8298 is the induction or restoration of immunological tolerance with respect to ongoing immune attack at this molecular site. High doses of antigen delivered periodically by the intravenous route are expected to suppress immune responses to the administered substance. The potential benefit of MBP8298 for any individual patient is therefore expected to be related to the extent to which his or her disease process is dominated by autoimmune attack at the site represented by this synthetic peptide.","Pharmacodynamics":"MS is generally considered an autoimmune disease, caused by immune attack against normal components of the central nervous system. The specificity of the immune attack at the molecular level is determined in each case by the HLA type of the individual patient, and HLA type is known to be one factor that contributes to susceptibility to MS. The MBP8298 synthetic peptide is a molecular replicate of the site of attack that is dominant in MS patients with HLA haplotypes DR-2 or DR-4. These HLA types are found in 65-75% of all MS patients.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04922","Name":"XP13512","DrugType":"small molecule","HalfLife":"","Description":"XP13512 is a patented new chemical entity internally discovered at XenoPort. It is in clinical development for the potential treatment of restless legs syndrome, or RLS, and neuropathic pain. It is a Transported Prodrug of gabapentin, a drug that has been sold by Pfizer Inc as Neurontin since 1993 and is currently sold as a generic drug by a number of companies. XP13512 is being investigated by XenoPort, Inc.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the potential treatment of restless legs syndrome, or RLS, and neuropathic pain.","Toxicity":"","MechanismOfAction":"XP13512 is a prodrug of gabapentin. Gabapentin interacts with cortical neurons at auxillary subunits of voltage-sensitive calcium channels. It increases the synaptic concentration of GABA, enhances GABA responses at non-synaptic sites in neuronal tissues, and reduces the release of mono-amine neurotransmitters. One of the mechanisms implicated in this effect of gabapentin is the reduction of the axon excitability measured as an amplitude change of the presynaptic fibre volley (FV) in the CA1 area of the hippocampus. This is mediated through its binding to presynaptic NMDA receptors. Other studies have shown that the antihyperalgesic and antiallodynic effects of gabapentin are mediated by the descending noradrenergic system, resulting in the activation of spinal alpha2-adrenergic receptors. Gabapentin has also been shown to bind and activate the adenosine A1 receptor.","Pharmacodynamics":"","Absorption":"Absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04924","Name":"Itopride","DrugType":"small molecule","HalfLife":"","Description":"Itopride is a dopamine D2 antagonist with acetylcholinesterase inhibitory actions.","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Investigated for use/treatment in gastrointestinal diseases and disorders (miscellaneous).","Toxicity":"","MechanismOfAction":"Itopride has anticholinesterase (AchE) activity as well as dopamine D2 receptor antagonistic activity. It is well established that M3 receptors exist on the smooth muscle layer throughout the gut and acetylcholine (ACh) released from enteric nerve endings stimulates the contraction of smooth muscle through M3 receptors. The enzyme AChE hydrolyses the released ACh, inactivates it and thus inhibits the gastric motility leading to various digestive disorders. Besides ACh, dopamine is present in significant amounts in the gastrointestinal tract and has several inhibitory effects on gastrointestinal motility, including reduction of lower esophageal sphincter and intragastric pressure. These effects appear to result from suppression of ACh release from the myenteric motor neurons and are mediated by the D2 subtype of dopamine receptors. Itopride, by virtue of its dopamine D2 receptor antagonism, removes the inhibitory effects on Ach release. It also inhibits the enzyme AchE which prevents the degradation of ACh. The net effect is an increase in ACh concentration, which in turn, promotes gastric motility, increases the lower esophageal sphincter pressure, accelerates gastric emptying and improves gastro-duodenal coordination. This dual mode of action of Itopride is unique and different from the actions of other prokinetic agents available in the market.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04925","Name":"Desmoteplase","DrugType":"biotech","HalfLife":"","Description":"Desmoteplase is a chemical in the saliva of vampire bats. It activates plasminogen to the serine protease, plasmin. Plasmin acts by breaking down fibrin blood clots. When a vampire bat bites its victim, it secretes an enzyme that prevents the blood from clotting. The enzyme is called DSPA (Desmodus rotundus salivary plasminogen activator) and scientists are using DSPA as stroke and heart attack medication. Desmoteplase is a recombinant form of vampire bat DSPA (Salivary plasminogen activator alpha 1).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cerebral ischemia and strokes.","Toxicity":"","MechanismOfAction":"Desmoteplase targets and destroys fibrin, the structural scaffold of blood clots.","Pharmacodynamics":"Desmoteplase is a novel thrombolytic agent derived from vampire-bat saliva. It is genetically related to the clot buster tissue plasminogen activator (t-PA) but is more potent and demonstrates a safer toxicity profile (desmoteplase does not promote kainate- or NMDA-mediated neurotoxicity in vivo). Plasminogen activators are enzymes found in all vertebrate species investigated so far. Their physiological function is the generation of localized proteolysis in the context of tissue remodeling, wound healing and neuronal plasticity. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04926","Name":"Neramexane","DrugType":"small molecule","HalfLife":"","Description":"Neramexane is a low-to-moderate affinity uncompetitive NMDA receptor antagonist.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Investigated for use/treatment in alzheimer's disease, hearing loss, and pain (acute or chronic).","Toxicity":"","MechanismOfAction":"Neramexane is an uncompetitive NMDA receptor channel blocker.","Pharmacodynamics":"Neramexane is similar to memantine and acetylcholinesterase inhibitors in that neramexane targets the cognitive decline in Alzheimer’s Disease by altering neurotransmitter signaling, but not the underlying pathological mechanisms that cause the disease (amyloid production or neurofibrillary tangle accumulation).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04927","Name":"NM100060","DrugType":"small molecule","HalfLife":"","Description":"NM100060 is NexMed's proprietary nail lacquer treatment for onychomycosis (nail fungal infection).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in onychomycosis.","Toxicity":"","MechanismOfAction":"M100060 is a delivery medium for terbinafine. Terbinafine is hypothesized to act by inhibiting squalene epoxidase, thus blocking the biosynthesis of ergosterol, an essential component of fungal cell membranes.","Pharmacodynamics":"M100060 is a topical application of Lamisil (terbinafine).","Absorption":"Instead, it may be absorbed by the skin above the nail and work its way to where the nail is actually forming.) As the old, infected nail grows and is cut away, it is said to be replaced by an acidic nail, uninhabitable by fungi","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04928","Name":"XP12B","DrugType":"small molecule","HalfLife":"","Description":"XP12B is being developed by Xanodyne Pharmaceuticals for the treatment of menorrhagia (heavy menstrual bleeding). It was granted Fast Track status for this indication by the FDA in November 2004.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in menstrual disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04929","Name":"DG031","DrugType":"small molecule","HalfLife":"","Description":"DG031, deCODE genetics's lead compound, is being developed for the prevention of myocardial infarction, or heart attack.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in heart disease and myocardial infarction.","Toxicity":"","MechanismOfAction":"DG031 inhibits the activity of the FLAP, or 5-lipoxygenase activating protein, that modulates the activity of the leukotriene pathway.","Pharmacodynamics":"DG031 is an inhibitor of 5-lipoxygenase activating protein, or FLAP. deCODE has linked variants in the gene encoding FLAP, and the gene encoding leukotriene A4 hydrolase (LTA4H) to risk of heart attack. These variants appear to confer increased risk of heart attack by increasing the production of leukotriene B4 (LTB4), a potent driver of inflammation produced in atherosclerotic plaques. In Phase II trials completed last year, DG031 was shown to be well tolerated at all doses tested and to reduce the production of LTB4 in a dose-dependent manner. Late last year deCODE discovered that the HapK variant of the LTA4H gene, discovered in Iceland and which confers a moderate increase in risk of heart attack in people of predominantly European ancestry, confers a 250% increase in risk of the disease in African Americans. deCODE licensed DG031 from Bayer AG, which developed it originally for the treatment of asthma. In deCODE’s clinical trials and those conducted previously by Bayer, a total of approximately 2000 people have been dosed with DG031.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04930","Name":"Permethrin","DrugType":"small molecule","HalfLife":"","Description":"A pyrethroid insecticide commonly used in the treatment of lice infestations and scabies. It is a yellow to light orange-brown, low melt-ing solid or viscous liquid.","Classification":{"Description":"This compound belongs to the pyrethroids. These are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl.","DirectParent":"Pyrethroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acid Esters","SubClass":"Pyrethroids"},"Indication":"For the treatment of infestation with \u003ci\u003eSarcoptes scabiei\u003c/i\u003e (scabies).","Toxicity":"Oral, rat LD\u003csub\u003e50\u003c/sub\u003e: 430 - 4000 mg/kg; skin, rabbit LD\u003csub\u003e50\u003c/sub\u003e: 2000 mg/kg.","MechanismOfAction":"Permethrin acts on the nerve cell membrane to disrupt the sodium channel current by which the polarization of the membrane is regulated. Delayed repolarization and paralysis of the pests are the consequences of this disturbance.","Pharmacodynamics":"Permethrin, a pyrethroid, is active against a broad range of pests including lice, ticks, fleas, mites, and other arthropods.","Absorption":"Poorly absorbed through the skin.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04931","Name":"EPT1647","DrugType":"small molecule","HalfLife":"The plasma half-lives following SC dosing (0.08 to 0.21 mg/kg) ranged from 0.07 to 0.79 h for the absorption phase and from 0.8 to 1.7 h for the beta-phase.","Description":"EPT1647 (Melanotan) is an analog of the peptide hormone alpha-melanocyte stimulating hormone (alpha-MSH) that tends to induce skin tanning. It is being developed by the Australian company Clinuvel Pharmaceuticals (previously known as EpiTan).","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in actinic keratosis, keratoses, skin cell studies, and skin infections/disorders.","Toxicity":"","MechanismOfAction":"EPT1647 stimulates the body to make eumelanin, the dark pigment of the skin which is known to have protective effects on the skin from exposure to both UV-A and UV-B radiation.","Pharmacodynamics":"EPT1647 is a photoprotective agent that acts by increasing the levels of eumelanin in the skin without the need to expose the skin to UV radiation. Therefore, it has the potential to be used as a photoprotective agent for those persons seeking additional protection from UV damage, because their levels of eumelanin do not normally increase when they are exposed to UV radiation or persons who suffer from the clinical symptoms of UV associated skin diseases and disorders, such as Polymorphous Light Eruption (PMLE).","Absorption":"Absorbed through the skin and distributed throughout the body (systemically).","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04932","Name":"Defibrotide","DrugType":"biotech","HalfLife":"t1/2-alpha = minutes (10-20 minutes in rat); t1/2-beta = a few hours","Description":"Defibrotide is the sodium salt of a mixture of single-stranded oligodeoxyribonucleotides derived from porcine mucosal DNA. It has been shown to have antithrombotic, anti-inflammatory and anti-ischemic properties (but without associated significant systemic anticoagulant effects). It is marketed under the brand names Dasovas (FM), Noravid, and Prociclide in a variety of countries, but is currently not approved in the USA. The manufacturer is Gentium.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Defibrotide is used to treat or prevent a failure of normal blood flow (occlusive venous disease, OVD) in the liver of patients who have had bone marrow transplants or received certain drugs such as oral estrogens, mercaptopurine, and many others. ","Toxicity":"","MechanismOfAction":"The drug appears to prevent the formation of blood clots and to help dissolve blood clots by increasing levels of prostaglandin I2, E2, and prostacyclin, altering platelet activity, increasing tissue plasminogen activator function, and decreasing activity of tissue plasminogen activator inhibitor. Prostaglandin I2 relaxes the smooth muscle of blood vessels and prevents platelets from adhering to each other. Prostaglandin E2 at certain concentrations also inhibits platelet aggregation. Moreover, the drug provides additional beneficial anti-inflammatory and antiischemic activities as recent sudies have shown. It is yet unclear, if the latter effects can be utilized clinically (e.g., treatment of ischemic stroke).","Pharmacodynamics":"Defibrotide is a deoxyribonucleic acid derivative extracted from mammalian organs, which has been developed for the treatment of a number of vascular disorders. It appears to increase fibrinolysis and may possess antithrombotic, antiatherosclerotic and anti-ischaemic actions, probably due to its ability to selectively increase prostaglandin I2 and E2 levels and to increase tissue plasminogen activator and decrease plasminogen activator inhibitor function. Defibrotide is available as an intravenous and intramuscular preparation, and also as an oral formulation for long term use.","Absorption":"Bioavailability is 58-70% following oral administration, compared to parenteral forms (i.v. and i.m. = 100%).","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04933","Name":"Eritoran","DrugType":"small molecule","HalfLife":"50.4 to 62.7 hours","Description":"Eritoran is a structural analogue of the lipid A portion of lipopolysaccharide (LPS). It is being developed by Eisai Research Institute of Boston for the treatment of severe sepsis.","Classification":{"Description":"This compound belongs to the acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.","DirectParent":"Acylaminosugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"Investigated for use/treatment in sepsis and septicemia.","Toxicity":"","MechanismOfAction":"Eritoran is a toll-like receptor 4 inhibitor.","Pharmacodynamics":"Eritoran has been shown to down-regulate the intracellular generation of pro-inflammatory cytokines IL-6 and TNF-alpha in human monocytes.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04934","Name":"Benzoxazinorifamycin","DrugType":"small molecule","HalfLife":"","Description":"Benzoxazinorifamycin (trade name rifalazil) is a derivative of the antibiotic rifamycin. It is being investigated by ActivBiotics for the treatment of various bacterial infections.","Classification":{"Description":"This compound belongs to the phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring.","DirectParent":"Phenoxazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazines","SubClass":"Phenoxazines"},"Indication":"Investigated for use/treatment in atherosclerosis, bacterial infection, and peripheral vascular disease.","Toxicity":"","MechanismOfAction":"The potent antimycobacterial activity of benzoxazinorifamycin is due to inhibition of bacterial RNA polymerase.","Pharmacodynamics":"Benzoxazinorifamycin represents a new generation of ansamycins that contain a unique four-ring structure. Originally benzoxazinorifamycin was developed as a therapeutic agent to replace rifampin as part of a multiple drug regimen in the treatment of tuberculosis. As a result of its superior antimicrobial activity and high intracellular levels, benzoxazinorifamycin has potential to treat indications caused by the intracellular pathogen, \u003ci\u003eChlamydia trachomatis\u003c/i\u003e, which causes non-gonococcal urethritis and cervicitis, often leading to pelvic inflammatory disease. Benzoxazinorifamycin also has potential to treat the related microorganism, \u003ci\u003eChlamydia pneumoniae\u003c/i\u003e, which may be involved in chronic inflammatory processes thought to be partly responsible for atherosclerosis. Due to its favourable antimicrobial spectrum and other positive attributes, benzoxazinorifamycin may also prove valuable in the treatment of gastric ulcer disease, caused by \u003ci\u003eHelicobacter pylori\u003c/i\u003e, and antibiotic-associated colitis, the result of toxin production following the growth of \u003ci\u003eClostridium difficile\u003c/i\u003e in the colon. The potential value of benzoxazinorifamycin in the treatment of these indications will be assessed in human clinical trials.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04936","Name":"Tagatose","DrugType":"small molecule","HalfLife":"","Description":"Tagatose is a functional sweetener. It is a naturally occurring monosaccharide, specifically a hexose. It is often found in dairy products, and is very similar in texture to sucrose (table sugar) and is 92% as sweet, but with only 38% of the calories. It is approved as a food additive as a low calorie sweetener. Additionally, it is under investigation by Spherix for the treatment of obesity and type II diabetes.","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"Intended for use as a therapeutic adjunct in the treatment of type II diabetes.","Toxicity":"","MechanismOfAction":"he steps in the metabolism of tagatose are identical to those for fructose or fruit sugar but tagatose is incompletely absorbed. Only 15-20 percent of tagatose is absorbed in the small intestine. The major part of ingested tagatose is fermented in the colon by indigenous microflora, resulting in the production of short-chain fatty acids. The short chain fatty acids are absorbed almost completely and metabolized.","Pharmacodynamics":"Oral tagatose significantly blunts the rise in plasma glucose seen after oral glucose in patients with diabetes mellitus in a dose-dependent manner without significantly affecting insulin levels. The minimal elevation of plasma tagatose levels in normal patients and the adverse gastrointestinal effects seen following larger doses of tagatose support poor absorption of this hexose and suggest that tagatose may act by attenuating glucose absorption in the intestine.","Absorption":"Only 15-20 percent of tagatose is absorbed in the small intestine.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04937","Name":"GV1001","DrugType":"biotech","HalfLife":"","Description":"GV1001 is a peptide vaccine that activates the immune system so that it recognizes and kills cancer cells. It is being developed by Pharmexa A/S.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hepatocellular carcinoma, lung cancer, and pancreatic cancer.","Toxicity":"","MechanismOfAction":"GV1001 targets an enzyme called telomerase. Telomerase is seldom found in normal cell types but is overexpressed in most cancer cells.","Pharmacodynamics":"GV1001 is a peptide vaccine that activates the immune system so that it recognises and kills cancer cells.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04938","Name":"Ospemifene","DrugType":"small molecule","HalfLife":"Terminal half-life = 26 hours . ","Description":"Ospemifene is a new selective non-hormonal estrogen receptor modulator (SERM) that is used for the treatment of moderate to severe dyspareunia, a symptom of vulvar and vaginal atrophy, due to menopause. FDA approved on February 26, 2013. ","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Ospemifene is used for the treatment of moderate to dyspareunia, a symptom of vulvar and vaginal atrophy, due to menopause.","Toxicity":"Adverse reactions (≥1 percent) include: hot flush, vaginal discharge, muscle spasms, genital discharge, hyperhidrosis.","MechanismOfAction":"Ospemifene is a next generation SERM (selective estrogen receptor modulator) that selectively binds to estrogen receptors and either stimulates or blocks estrogen's activity in different tissue types. It has an agonistic effect on the endometrium.","Pharmacodynamics":"The half maximal inhibitory concentration (IC50) for estrogen receptor (ER) alpha and beta are 0.8 μM and 1.7 μM, respectively. Ospemifene has potential uses in the management of osteoporosis in postmenopausal women. It interacts with osteoblasts and osteoclasts in such a way that it reduces bone turnover. It also has potential uses in the prevention of breast cancer. Studies suggest that ospemifene, in a dose-dependent manner, reduces the incidence of tumours. ","Absorption":"When a single oral dose of ospemifene 60 mg is given to postmenopausal women under fasted conditions, the pharmacokinetic parameters are as follows:\r\nTmax = 2 hours (range of 1 - 8 hours);\r\nCmax = 533 ng/mL;\r\nAUC (0-inf) = 4165 ng•hr/mL. \r\nWhen the same aforementioned dose is given to postmenopausal women under fed conditions, the pharmacokinetic parameters are as follows:\r\nTmax = 2.5 hours (1 - 6 hours); \r\nCmax = 1198 ng/mL;\r\nAUC (0-inf) = 7521 ng•hr/mL. \r\nAccumulation occurs following repeated doses. \r\nTime to steady state = 9 days. \r\nAlthough the bioavailability of ospemifene has not been formally evaluated, it is expected to have a low bioavailability because of its lipophilic nature. ","Interactions":[{"ID":"DB08866"},{"ID":"DB00196"},{"ID":"DB01026"},{"ID":"DB00338"},{"ID":"DB01045"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04940","Name":"E7389","DrugType":"small molecule","HalfLife":"","Description":"E7389 is being studied in the treatment of cancer. It belongs to the family of drugs called antitubulin agents. It is the synthetic form of Halichondrin B (NSC 609395), a macrocyclic polyether initially isolated from the sponge \u003ci\u003eHalichondria okadai\u003c/i\u003e.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer, cancer/tumors (unspecified), head and neck cancer, lung cancer, prostate cancer, and sarcoma.","Toxicity":"","MechanismOfAction":"E7389 can activate cellular apoptosis pathways under anchorage-independent and -dependent cell culture conditions. Prolonged mitotic blockage by E7389 can lead to apoptotic cell death of human cancer cells in vitro and can provide a mechanistic basis for the significant in vivo anticancer efficacy of E7389.","Pharmacodynamics":"E7389, like its parent natural compound Halichondrin B, is classified as a tubulin depolymerizer, and it shows activity at least equal to the naturally occurring chemical. It acts to disrupt the polymerization of the microtubules necessary in mitosis.2 This general characteristic places E7389 in the group of drugs that includes Vinca alkaloids, dolastatins, cryptophycin, and so forth, but its tubulin interactions appear to be unique, and it was found to have greater activity against lung and breast tumors in animal studies than either the parent halichondrin B or paclitaxel.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04941","Name":"Crofelemer","DrugType":"small molecule","HalfLife":"Since crofelemer is not significantly absorbed, the half life was not determined.","Description":"Crofelemer, previously known as the investigational drug SP-303, is a novel proanthocyanidin purified from the bark latex of the Amazonian Croton tree \u003ci\u003eCroton lechleri\u003c/i\u003e. It is marketed under the brand name Fulyzaq and indicated for the symptomatic treatment of non-infectious diarrhea in adult patients with HIV/AIDS who are taking antiretroviral therapy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the symptomatic treatment of non-infectious diarrhea in adult patients with HIV/AIDS who are taking antiretroviral therapy.","Toxicity":"The most common adverse effects are cough, flatulence, upper respiratory tract infection, bronchitis, and increased bilirubin.","MechanismOfAction":"Crofelemer is an inhibitor of the cystic fibrosis transmembrane regulator chloride channel (CFTR), as evidenced by its activity on cell cultures, single cell patch clamps, single CFTR channels, and elaboration of mouse intestinal fluid secretion. Crofelemer also inhibits calcium activated chloride channels (CaCC), which in combination with CFTR, are expressed on the luminal side of intestinal cells. Crofelemer inhibition of both of these channels prevents water loss from diarrhea by inhibiting chloride secretion.\r\n\r\n","Pharmacodynamics":"Crofelemer is an inhibitor of secretory diarrhea via inhibition of the CFTR chloride transporter. Crofelemer is not an antimicrobial, and therefore does not drive the emergence of resistance; it does not inhibit motility, and therefore does not cause constipation or rebound diarrhea; and it is not systemically absorbed, reducing the potential for adverse drug interactions and toxicity.","Absorption":"The absorption of crofelemer is minimal and crofelemer concentrations in plasma are below the level of quantitation (50 ng/mL). ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04942","Name":"Tamibarotene","DrugType":"small molecule","HalfLife":"","Description":"Tamibarotene is a novel synthetic retinoid for acute promyelocytic leukaemia (APL). Tamibarotene is currently approved in Japan for treatment of recurrent APL, and is undergoing clinical trials in the United States.","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"Investigated for use/treatment in leukemia (unspecified).","Toxicity":"","MechanismOfAction":"Tamibarotene is a specific agonist for retinoic acid receptor alpha/beta with possible binding to retinoid X receptors (RXR).","Pharmacodynamics":"Tamibarotene is a new synthetic retinoid drug recently approved for relapsed or refractory acute promyelocytic leukemia (APL) in Japan. It is a specific agonist for retinoic acid receptor alpha/beta. Compared to all-trans retinoic acid (ATRA), a natural retinoid indicated for a first-line treatment of APL, tamibarotene is chemically more stable and several times more potent as an inducer of differentiation in promyelocytic leukemia cells. In contrast to ATRA, whose plasma concentration declines considerably during daily administration, tamibarotene sustains plasma level probably due to a lower affinity for cellular retinoic acid binding protein. Furthermore, adverse side effects were milder than those of ATRA in clinical trials.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04943","Name":"LX201","DrugType":"small molecule","HalfLife":"","Description":"LX201 is a silicone matrix ocular implant that provides sustained release of cyclosporine A (CsA) locally to the eye over the course of one year. LX201 is implanted subconjunctivally (beneath the transparent membrane covering the white of the eye) in a minimally invasive procedure. The implant is being developed clinically for the prevention of rejection in corneal transplantation. It is being developed by Lux Biosciences, Inc.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in eye disorders/infections and transplant (rejection).","Toxicity":"","MechanismOfAction":"LX201 provides a delivery mechanism for cyclosporine. Cyclosporine binds to cyclophillin. The complex then inhibits calcineurin which is normally responsible for activating transcription of interleukin 2. Cyclosporine also inhibits lymphokine production and interleukin release.\r\n","Pharmacodynamics":"LX201 is a sustained release silicone implant containing 30% cyclosporine A (CsA) by weight. The LX201 implant releases the cyclosporine at steady doses over the course of a year. Local delivery of CsA through LX201 potentially offers significant benefits in the treatment of corneal transplantation due to: (i) increased safety resulting from the absence of systemic toxicity of CsA, in particular of renal toxicity as, based on animal studies, LX201 does not produce measurable systemic levels; (ii) increased efficacy as, based on animal studies, LX201 can establish continuous and relatively high therapeutic levels of CsA – higher than could be established by tolerable oral doses - at or near the transplanted cornea; and (iii) increased patient compliance as the implant is hardly perceptible by the patient and dosing cannot be missed throughout the first year after transplantation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04944","Name":"Acadesine","DrugType":"small molecule","HalfLife":"1 week","Description":"Acadesine (AICA-riboside) is a purine nucleoside analog with anti-ischemic properties that is currently being studied (Phase 3) for the prevention of adverse cardiovascular outcomes in patients undergoing coronary artery bypass graft (CABG) surgery. It is being developed jointly by PeriCor and Schering-Plough. Acadesine has been granted Orphan Drug Designation for B-CLL in the EU.","Classification":{"Description":"This compound belongs to the 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond.","DirectParent":"1-Ribosyl-imidazolecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Investigated for use/treatment in cardiac reperfusion injury, cardiovascular disorders, and coronary artery disease.","Toxicity":"","MechanismOfAction":"The mechanism by which acadesine selectively kills B-cells is not yet fully elucidated. The action of acadesine does not require the tumour suppressor protein p53 like other treatments. This is important, as p53 is often missing or defective in cancerous B-cells. Studies have shown acadesine activates AMPK and induces apoptosis in B-cell chronic lymphocytic leukemia cells but not in T lymphocytes.","Pharmacodynamics":"Acadesine has been shown to induce cell death apoptosis selectively in B-cells taken from healthy subjects and patients with B-CLL, with little effect on T-cells. As T-cells have an important role in fighting infection, it is anticipated that patients treated with acadesine will have a reduced risk of serious infections compared to those on current chemotherapies.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04946","Name":"Iloperidone","DrugType":"small molecule","HalfLife":"The observed mean elimination half-lives for iloperidone, P88 and P95 in CYP2D6 extensive metabolizers (EM) are 18, 26 and 23 hours, respectively, and in poor metabolizers (PM) are 33, 37 and 31 hours, respectively. ","Description":"Iloperidone is an atypical antipsychotic for the treatment of schizophrenia symptoms. Hoechst Marion Roussel Inc. made initial inquiries into the drug; however, in May 1996, they discontinued research, and in June 1997 gave research rights to Titan Pharmaceuticals. Titan then handed over worldwide development, manufacturing and marketing rights to Novartis in August 1998. On June 9, 2004, Titan Pharmaceuticals announced that the Phase III development rights have been acquired by Vanda Pharmaceuticals. FDA approved on May 9, 2009. ","Classification":{"Description":"This compound belongs to the benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring.","DirectParent":"Benzisoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzisoxazoles","SubClass":""},"Indication":"Treatment of acute schizophrenia. ","Toxicity":"Commonly observed adverse reactions (incidence ≥5% and two-fold greater than placebo) were: dizziness, dry mouth, fatigue, nasal congestion, orthostatic hypotension, somnolence, tachycardia, and weight increased.","MechanismOfAction":"Iloperidone is a dopamine D2 and 5-HT2A receptor antagonist and acts as a neuroleptic agent. \r\n\r\n","Pharmacodynamics":"Iloperidone shows high affinity and maximal receptor occupancy for dopamine D2 receptors in the caudate nucleus and putamen of the brains of schizophrenic patients. The improvement in cognition is attributed to iloperidone's high affinity for α adrenergic receptors. Iloperidone also binds with high affinity to serotonin 5-HT2a and dopamine 3 receptors. Iloperidone binds with moderate affinity to dopamine D4, serotonin 5-HT6 and 5-HT7, and norepinephrine NEα1 receptors. Furthermore, iloperidone binds with weak affinity to serotonin 5-HT1A, dopamine D1, and histamine H1 receptors. ","Absorption":"Well absorbed from the GI tract and Cmax is reached within 2-4 hours.\r\nSteady-state concentration is achieved in 3-4 days post-administration of iloperidone. Relative bioavailability of the tablet formulation compared to oral solution is 96%. Accumulation occurs in a predictable fashion. ","Interactions":[{"ID":"DB06697"},{"ID":"DB01211"},{"ID":"DB00907"},{"ID":"DB00872"},{"ID":"DB00472"},{"ID":"DB01026"},{"ID":"DB06708"},{"ID":"DB00715"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04947","Name":"Altropane","DrugType":"small molecule","HalfLife":"","Description":"Boston Life Sciences (BLS) is developing Altropane as a potential radio-imaging agent to be used with single photon emission tomography (SPECT), for the early diagnosis of Parkinson's disease (PD) and attention deficit hyperactivity disorder (ADHD).","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"Investigated for use/treatment in attention deficit/hyperactivity disorder (ADHD), parkinson's disease, and pediatric indications.","Toxicity":"","MechanismOfAction":"Positron emission tomography (PET) cameras are expensive and scarce, and the tests are non-reimbursable. A less costly and more available test such as a single photon emission computed tomography (SPECT) may be helpful in the diagnosis of early or atypical Parkinson's disease (PD) if its sensitivity is comparable to a PET scan. Altropane is an iodinated form of the N-allyl analog of WIN 35,428 which acts as a dopamine transport inhibitor. When radiolabeled with the gamma emitting isotope [123I], altropane serves as a SPECT ligand with high affinity and selectivity for the dopamine transporter. It is a good marker for dopamine neurons and is useful in detecting PD.","Pharmacodynamics":"Altropane is a molecular-imaging agent that specifically binds to the dopamine transporter (DAT) protein found on the surface of dopamine-producing neurons, making it visible during SPECT imaging. Since most forms of Parkinsonian Syndromes result in a decreased number of dopamine-producing cells, it would be expected that these patients also have fewer DATs than do patients without PS. Thus, it is believed that altropane used in conjunction with SPECT imaging could be a useful test to distinguish Parkinsonian Syndrome tremors from non-Parkinsonian tremor: non-Parkinsonian patients would have more altropane-binding visible in the SPECT image, while Parkinsonian patients would have less.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04948","Name":"Lofexidine","DrugType":"small molecule","HalfLife":"11 hours","Description":"Lofexidine is an alpha2-adrenergic receptor agonist. It can be used as a short acting anti-hypertensive, but is mostly used to help relieve symptoms of heroin or opiate withdrawal in opiate dependency. It is approved in the United Kingdom, but is still undergoing clinical trials in the United States.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Investigated for use/treatment in addictions and substance abuse.","Toxicity":"Lofexidine was tolerated at high dosage in singe dose toxicity studies in animals, the LD\u003csub\u003e50\u003c/sub\u003e being \u0026gt;77 mg/kg. With repeat dosing in mice, rats and dogs symptoms related to the pharmacology of the drug (ataxia, sedation, tremor, unkempt appearance and exhaustion) appeared. Overdosage may cause hypotension, bradycardia and sedation.\r\n\r\n","MechanismOfAction":"Lofexidine is an alpha2-adrenergic receptor agonist.","Pharmacodynamics":"Lofexidine is an orally active imidazoline adrenergic alpha-2-receptor agonist; and is believed to have a high affinity for 2A receptor subtypes resulting in less anti-hypertensive activity than clonidine, a non-selective alpha-2-receptor agonist. Hypotension may occur in susceptible subjects, accompanied by a decrease in heart rate. Abrupt discontinuation of lofexidine has been, in some cases, associated with a transient increase in blood pressure to higher than pre-treatment levels. It selectively stimulates receptors in the brain that monitor catecholamine levels in the blood. These receptors close a negative feedback loop that begins with descending sympathetic nerves from the brain that control the production of catecholamines (epinephrine, also known as adrenaline, and norepinephrine) in the adrenal medulla. By fooling the brain into believing that catecholamine levels are higher than they really are, lofexidine causes the brain to reduce its signals to the adrenal medulla, which in turn lowers catecholamine production and blood levels. The result is a lowered heart rate and blood pressure. This central action is responsible for the suppression of opiate withdrawal symptoms.\r\n","Absorption":"Lofexidine is extensively absorbed and achieves peak plasma concentration at \r\n3 hours after administration of a single dose. Bioavailability is over 90% following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000829","Name":"Lofexidine hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04949","Name":"Pexelizumab","DrugType":"biotech","HalfLife":"7.0 hours to 14.5 hours.","Description":"Pexelizumab is a humanized monoclonal antibody used as an immunosuppressive drug. It is being investigated by Alexion Pharmaceuticals.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of inflammation during cardiac surgery.","Toxicity":"","MechanismOfAction":"Although inflammation is a normal response, continued exposure to foreign surfaces, toxic antigens, and tissue injury results in pathologic local and systemic inflammation (SIRS). This response involves multiple humoral and cellular components, including the coagulation (Factor XII, thrombin, Proteins C and S, platelets) and complement systems, cytokines (TNF-alpha, interleukins), leukocytes, monocytes, adhesion molecules (ICAM-1), and endothelial cells, among others. The complement system is a group of glycoproteins, which, when activated, results in the formation of C3-convertase, which converts C3 to C3a and C3b. C3a cleaves C5 to C5a and C5b. C5b, in conjunction with C6, C7, C8, and C9, forms the membrane attack or terminal complement complex (TCC) C5b-9. Both C5a and C5b-9 activate, promote, and amplify inflammatory components, and likely play central roles in the development of SIRS, tissue injury, reperfusion injury, and apoptosis. Pexelizumab, a recombinant humanized single chain monoclonal antibody to C5, blocks the conversion of C5 to C5a and C5b-9.","Pharmacodynamics":"Myocardial injury and dysfunction in acute infarction and during cardiac surgery with cardiopulmonary bypass (CPB) are associated with an undesirable systemic inflammatory response, in which the complement cascade plays a major role. In animal models C5 inhibition has been found to significantly reduce myocardial infarct size and decrease cellular necrosis and apoptosis. Pexelizumab is a humanized, monoclonal, single-chain antibody fragment that inhibits C5, thereby blocking its cleavage into active forms. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04950","Name":"Ranpirnase","DrugType":"biotech","HalfLife":"","Description":"Ranpirnase is a ribonuclease enzyme found in \u003ci\u003eRana pipiens\u003c/i\u003e oocytes. It is being studied in the treatment of cancer. It is manufactured by Alfacell Corporation. It is the first ribonuclease to enter cancer clinical trials.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"Ranpirnase controls tumour growth by degrading RNA within cancer cells, resulting in inhibition of protein synthesis and arresting mitosis in G(1)phase.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04951","Name":"Pirfenidone","DrugType":"small molecule","HalfLife":"2-2.5 hours","Description":"Pirfenidone is an orally active small molecule drug that may inhibit collagen synthesis, down regulate production of multiple cytokines and block fibroblast proliferation and stimulation in response to cytokines. Pirfenidone has demonstrated activity in multiple fibrotic conditions, including those of the lung, kidney and liver. It is being investigated by InterMune.","Classification":{"Description":"This compound belongs to the pyridinones. These are compounds containing a pyridine ring, which bears a ketone.","DirectParent":"Pyridinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"For the treatment of idiopathic pulmonary fibrosis (IPF).","Toxicity":"Generally well tolerated with the most frequent side effects reported being photosensitivity rash and gastrointestinal symptoms. ","MechanismOfAction":"Pirfenidone is an orally active, small molecule that shows a wide range of biologic activity. In vitro evidence has shown that pirfenidone inhibits collagen synthesis, down-regulates profibrotic cytokines and decreases fibroblast proliferation. Pirfenidone leads to a reduction of TGF-beta2 mRNA levels and of the mature TGF-beta2 protein due to decreased expression and direct inhibition of the TGF-beta pro-protein convertase furin. In addition, pirfenidone reduces the protein levels of the matrix metalloproteinase (MMP)-11, a TGF-beta target gene and furin substrate involved in carcinogenesis.","Pharmacodynamics":"Pirfenidone is a novel agent with anti-inflammatory, antioxidant, and antifibrotic properties. It may improve lung function and reduce the number of acute exacerbations in patients with idiopathic pulmonary fibrosis (IPF).","Absorption":"Rapidly absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04952","Name":"Ramoplanin","DrugType":"small molecule","HalfLife":"","Description":"Ramoplanin is a novel glycolipodepsipeptide antibiotic under development for the treatment of CDAD.","Classification":{"Description":"This compound belongs to the cyclic glycodepsipeptides. These are peptidomimetic containing a glycodepisipeptide backbone that lies in a cyclic moiety.","DirectParent":"Cyclic Glycodepsipeptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of bacterial infections.","Toxicity":"","MechanismOfAction":"Ramoplanin is the first in a new class of antimicrobials to reach clinical trials. It is a glycolipodepsipeptide produced by the fermentation of \u003ci\u003eActinoplanes spp.\u003c/i\u003e. Ramoplanin blocks bacterial cell wall biosynthesis by interfering with peptidoglycan production. Ramoplanin inhibits the N-acetylglucosaminyltransferase-catalysed conversion of lipid intermediate I to lipid intermediate II, a step that occurs before the transglycosylation and transpeptidation reactions. Ramoplanin’s mechanism of action is distinct from that of glycopeptides. Unlike glycopeptides, ramoplanin does not complex with the D-Ala–D-Ala sequence of cell wall precursors.","Pharmacodynamics":"Ramoplanin represents a new class of antibiotics with a novel mechanism of action that is highly effective against \u003ci\u003eStaphylococci\u003c/i\u003e.\r\n","Absorption":"No/limited absorption.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04953","Name":"Ezogabine","DrugType":"small molecule","HalfLife":"Terminal half-life = 7.5 hours ","Description":"Ezogabine (D23129) is a close structural analog of the centrally acting analgesic flupitrine. It is a neuronal potassium channel opener being developed as a first-in-class antiepileptic drug (AED) and is currently being studied in Phase 3 trials as an adjunctive treatment for partial-onset seizures in adult patients with refractory epilepsy. FDA approved in June 10, 2011 under the name of ezogabine. ","Classification":{"Description":"This compound belongs to the phenylcarbamates. These are compounds containing a phenylazide moiety, which consists of a carbamic acid substituent attacthed to a phenyl group.","DirectParent":"Phenylcarbamates","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylcarbamates"},"Indication":"Adjuvant treatment of partial-onset seizures. ","Toxicity":"Lethal Dose, acute, oral, rat = 100 mg/kg;\r\nLethal Dose, chronic, oral, rat = 5.1 mg/kg/day, 90-day;\r\nMost common adverse effects that lead to discontinuation of therapy include dizziness and somnolence. ","MechanismOfAction":"Ezogabine has a novel mechanism of action that involves opening of neuronal Kv7.2-7.5 (formerly KCNQ2-5) voltage activated potassium channels. These channels (primarily Kv7.2/7.3) enable generation of the M-current, a sub-threshold potassium current that serves to stabilize the membrane potential and control neuronal excitability. In addition to acting on potassium ion channels, retigabine also affects GABA neurotransmission in the GABA-A receptor, which is a key inhibitory receptor in the central nervous system and is implicated in epilepsy. Malfunctioning of the GABA-A receptor leads to hyperexcitability in the brain, which causes seizures, making this receptor an important target for antiepileptic therapeutics. Apart from increasing the concentration of GABA in the brain (by either enhancing GABA synthesis or blocking GABA metabolism), retigabine allosterically potentiates GABA-induced current in rat cortical neurons in a concentration-dependent manner. Numerous studies have demonstrated that retigabine is effective in a broad spectrum of in vivo epilepsy and seizure models.","Pharmacodynamics":"As compared to other antiepileptic agents, ezogabine is unique in that it selectively activates potassium ion channels Kv 7.2-Kv7.5 and not cardiac Kv 7.1, thereby avoiding cardiac side effects. The antiepileptics, as a drug class, are routinely used in the treatment of a number of disease states in addition to epilepsy. Ezogabine is highly efficacious in a broad-spectrum of in vivo epilepsy and seizure models. A comparison of antiepileptic form activity of ezogabine with that of conventional anticonvulsants in in vitro models suggests that retigabine is especially likely to be useful in the treatment of pharmacoresistant epilepsy. Retigabine clearly attenuates pain-like behaviors in various animal models of neuropathic pain; it may also prove to be useful in treatment of clinical anxiety disorders. Clinical data obtained thus far indicate that retigabine is well tolerated in humans when titrated up to its therapeutic dose range. No tolerance, drug dependence, or withdrawal liability has been reported. Thus, retigabine may prove to be useful in the treatment of a diverse range of disease states in which neuronal hyperexcitability is a common underlying factor.","Absorption":"Rapidly absorbed and distributed, with an absolute oral bioavailability of 60%. Pharmacokinetics of ezogabine suggest first-order kinetics. \r\nTmax, single oral dose = 30-120 minutes; \r\nTime to steady state = 3 days ","Interactions":[{"ID":"DB00564"},{"ID":"DB00555"},{"ID":"DB00904"},{"ID":"DB00252"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB04954","Name":"Tecadenoson","DrugType":"small molecule","HalfLife":"","Description":"Tecadenoson is a novel selective A1 adenosine receptor agonist that is currently being evaluated for the conversion of paroxysmal supraventricular tachycardia (PSVT) to sinus rhythm. It is being developed by CV Therapeutics, Inc.","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Investigated for use/treatment in arrhythmia and atrial fibrillation.","Toxicity":"","MechanismOfAction":"Tecadenoson selectively stimulates the A1 adenosine receptor. Stimulation of the A1 adenosine receptor slows the conduction of electrical impulses in the AV node of the heart, a region that controls the transmission of electrical impulses from the atria to the ventricles.","Pharmacodynamics":"Tecadenoson is a novel A1 adenosine receptor stimulator. Adenosine is a naturally occurring compound that stimulates all adenosine receptor subtypes in the body, including the A2 adenosine receptor which lowers blood pressure. In non-clinical trials, tecadenoson selectively stimulated the A1 adenosine receptor in the AV node and slowed the speed of electrical conduction across the AV node, reducing the number of electrical impulses that reached the ventricle, without affecting blood pressure. Clinical studies to date with intravenous tecadenoson suggest that it may slow the speed of AV nodal conduction by selectively stimulating the A1 adenosine receptor, and may avoid blood pressure lowering by not stimulating the A2 adenosine receptor. Thus, it may be possible to use intravenous tecadenoson to convert patients from PSVT to normal sinus rhythm without lowering blood pressure or causing adverse events related to vasodilitation such as flushing, palpitations or headache.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04955","Name":"Pumactant","DrugType":"small molecule","HalfLife":"","Description":"Pumactant is a synthetic surfactant used for treating respiratory distress syndrome in neonates. It is a unique formulation of the naturally occurring phospholipids Dipalmitoylphosphatidycholine (DPPC) and Phosphatidyl Glycerol (PG).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma, lung injury, and surgical adhesions.","Toxicity":"","MechanismOfAction":"Pumactant is known as a lung (pulmonary) surfactant. Surfactants are wetting agents which coat the surface of the air sacs (alveoli) and reduce surface tension in the lungs. This helps to inflate and expand the air sacs during breathing and prevents their collapse. Surfactants are normally produced naturally in the lungs. A failure by the lungs to do this results in a life threatening disorder known as respiratory distress syndrome, where the lungs become stiff, uninflatable and make breathing extremely difficult. This commonly occurs in premature babies, where their under-developed lungs are incapable of producing surfactants. Pumactant is given directly into the lung through a tube (endotracheal administration), to replace the natural surfactant and therefore aids breathing in premature babies.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04956","Name":"Afelimomab","DrugType":"biotech","HalfLife":"44.7 hours","Description":"Afelimomab (also known as Fab 2 or MAK 195F) is an anti-TNF-α monoclonal antibody. Administration of 195F reduces the concentration of interleukin-6 in patients with sepsis.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in sepsis and septicemia.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Afelimomab is the F(ab')2 fragment of a murine anti-TNF-alpha antibody, and has been evaluated in clinical trials in septic patients. The results suggest that the drug is well tolerated, and may be of benefit in certain groups of patients with sepsis. Afelimomab is safe, biologically active, and well tolerated in patients with severe sepsis, reduces 28-day all-cause mortality, and attenuates the severity of organ dysfunction in patients with elevated interleukin-6 levels.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04957","Name":"Azimilide","DrugType":"small molecule","HalfLife":"","Description":"Azimilide is an investigational class III anti-arrhythmic drug that blocks fast and slow components of the delayed rectifier cardiac potassium channels. It is not approved for use in any country, but is currently in clinical trials in the United States.","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"Investigated for use/treatment in arrhythmia and atrial fibrillation.","Toxicity":"","MechanismOfAction":"The mechanism of action of azimilide is to block both the slowly conducting (I(Ks)) and rapidly conducting (I(Kr)) rectifier potassium currents in cardiac cells. This differs from other class III agents that block I(Kr) exclusively or in combination with sodium, calcium, or transient outward (I(to)) potassium current channels. It also has blocking effects on sodium (I(Na)) and calcium currents (I(CaL)). Its effects on reentrant circuits in infarct border zones causing ventricular tachyarrhythmias are unknown. ","Pharmacodynamics":"Azimilide is a new class III anti-arrhythmic agent. It is distinguished by a relative lack of reverse use-dependence, excellent oral absorption, no need for dose titration, an option for out-patient initiation, no need for adjustment associated with renal or liver failure and a lack of interaction with warfarin or digoxin. It carries some risk of torsade de pointes and rarely, neutropoenia.","Absorption":"Excellent oral absorption.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04958","Name":"Epratuzumab","DrugType":"biotech","HalfLife":"","Description":"Epratuzumab is a humanized monoclonal antibody derived from the murine IG2a monotclonal antibody, LL2 (EPB-2). Potential uses may be found in oncology and in treatment of inflammatory autoimmune disorders, such as lupus (SLE).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in leukemia (lymphoid), lymphoma (non-hodgkin's), and systemic lupus erythematosus.","Toxicity":"","MechanismOfAction":"Epratuzumab is a recombinant, humanized monoclonal antibody directed against CD22, a cell surface glycoprotein present on mature B-cells and on many types of malignant B-cells. It binds with high specificity to normal B-cells and B-cell tumors at the third Ig-like domain of CD22. After binding to CD22, epratuzumab's predominant antitumor activity appears to be mediated through antibody-dependent cellular cytotoxicity (ADCC). ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04959","Name":"HspE7","DrugType":"biotech","HalfLife":"","Description":"HspE7 is a recombinant chimeric protein composed of the heat shock protein 65 (Hsp65) from \u003ci\u003eMycobacterium bovis\u003c/i\u003e, and the human papilloma viral (HPV) protein E7. Hsp65, similar to other members of its family of proteins, elicits a strong immune response and may be used to design vaccines against a number of different cancers. E7 protein is involved in carcinogenesis of anal and cervical tumors, and represents a tumor antigen that may be specifically targeted by lymphocytes. It is being developed by StressGen Biotechnologies Corp.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in anal dysplasia, cervical dysplasia/cancer, genital warts, HIV infection, infectious and parasitic disease (unspecified), pediatric indications, warts, and viral infection.","Toxicity":"","MechanismOfAction":"HspE7 works by efficiently delivering the E7 antigen to dendritic cells, which have a natural affinity for Hsp. Dendritic cells are known to be the most potent cells in the body for triggering immune responses. Coupling E7 to Hsp takes advantage of the Hsp receptors that dendritic cells express on their surface to introduce E7, as part of a larger fusion protein, into the dendritic cells. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04960","Name":"R115777","DrugType":"small molecule","HalfLife":"","Description":"R115777 is a substance that is being studied in the treatment of acute myeloid leukemia (AML) and other types of cancer. It belongs to the family of drugs called farnesyltransferase inhibitors. It is also called tipifarnib and Zarnestra.","Classification":{"Description":"This compound belongs to the linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.","DirectParent":"Linear Diarylheptanoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Diarylheptanoids","SubClass":"Linear Diarylheptanoids"},"Indication":"Investigated for use/treatment in colorectal cancer, leukemia (myeloid), pancreatic cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"The farnesyltransferase inhibitors (FTIs) are a class of experimental cancer drugs that target protein farnesyltransferase with the downstream effect of preventing the proper functioning of the Ras protein, which is commonly abnormally active in cancer. After translation, RAS goes through four steps of modification: isoprenylation, proteolysis, methylation and palmitoylation. Isoprenylation involves the enzyme farnesyltransferase (FTase) transferring a farnesyl group from farnesyl pyrophosphate (FPP) to the pre-RAS protein. Also, a related enzyme geranylgeranyltransferase I (GGTase I) has the ability to transfer a geranylgeranyl group to K and N-RAS. Farnesyl is necessary to attach RAS to the cell membrane. Without attachment to the cell membrane, RAS is not able to transfer signals from membrane receptors (Reuter et al., 2000).","Pharmacodynamics":"R115777, a nonpeptidomimetic farnesyl transferase inhibitor, suppresses the growth of human pancreatic adenocarcinoma cell lines. This growth inhibition is associated with modulation in the phosphorylation levels of signal transducers and activators of transcription 3 (STAT3) and extracellular signal-regulated kinases (ERK).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04961","Name":"Troxacitabine","DrugType":"small molecule","HalfLife":"","Description":"Troxacitabine (brand name Troxatyl) is a nucleoside analogue with anticancer activity. Its use is being studied in patients with refractory lymphoproliferative diseases.","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Investigated for use/treatment in leukemia (myeloid).","Toxicity":"","MechanismOfAction":"Troxacitabine is activated by cellular kinases and incorporated into DNA, inhibiting its replication. In contrast to other cytosine nucleoside analogs, troxacitabine is resistant to inactivation by cytidine deaminase (CD).","Pharmacodynamics":"Troxacitabine is a beta-L-nucleoside analog, which has shown preclinical antitumor activity in human xenograft tumor models and antileukemic response in patients with relapsed myeloid leukemia.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04962","Name":"Bectumomab","DrugType":"biotech","HalfLife":"","Description":"Bectumomab (marketed under the trade name LymphoScan®) is a mouse monoclonal antibody and which it's used to treat non-Hodgkin's lymphoma. It has a radioisotope, technetium (99m TC) which it's added.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in lymphoma (non-hodgkin's).","Toxicity":"","MechanismOfAction":"Using bectumomab, a mouse-derived monoclonal antibody labeled with technetium-99m (Tc-99m), a widely available, inexpensive radioisotope, medical professionals can determine through nuclear imaging the extent of CD22-expressing lymphomas.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04963","Name":"rhGAD65","DrugType":"biotech","HalfLife":"","Description":"rhGAD65 (recombinant human glutamic acid decarboxylase) is a vaccine being developed to treat insulin dependent type 1 diabetes.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in diabetes mellitus type 1.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"The immune system of patients treated with rhGAD65 demonstrate an increase in the secretion of several immunomodulatory substances, dominated by regulatory cytokines, including IL5, IL13, IL10, IL17, IFN-a and TNF-a. Additionally, the activity of T-cells in response to GAD65 is increased with rhGAD65 therapy and subjects receiving rhGAD65 show an up regulation of cytokines in response to GAD65.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04964","Name":"Oregovomab","DrugType":"biotech","HalfLife":"","Description":"Oregovomab is a murine monoclonal antibody that attaches to the tumor-associated antigen CA125.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in ovarian cancer.","Toxicity":"","MechanismOfAction":"Oregovomab targets the circulating tumour-associated antigen CA 125, which is shed from the surface of human ovarian cancer cells; the antibodies induce broad cellular and humoral immune responses against CA 125 via complex formation. Unlike free CA 125, CA 125-oregovomab complexes can prime dendritic cells, leading to downstream activation of T cells.\r\n","Pharmacodynamics":"Oregovomab is well tolerated and induces multiple antigen-specific immune responses, maintained during concomitant chemotherapy. A significant survival benefit has been observed in patients mounting a T-cell response to CA125 and/or autologous tumor. Vaccination with oregovomab may stimulate a host cytotoxic immune response against tumor cells that express CA125.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04967","Name":"Lucanthone","DrugType":"small molecule","HalfLife":"","Description":"One of the schistosomicides, it has been replaced largely by hycanthone and more recently praziquantel. (From Martindale The Extrapharmacopoeia, 30th ed., p46). It is currently being tested as a radiation sensitizer.","Classification":{"Description":"This compound belongs to the thiochromenes.","DirectParent":"Thiochromenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiochromenes","SubClass":""},"Indication":"Intended for use as a radiation sensitizer in the treatment of brain cancer.","Toxicity":"","MechanismOfAction":"Recent data suggests that lucanthone inhibits post-radiation DNA repair in tumor cells. The ability of lucanthone to inhibit AP endonuclease and topoisomerase II probably account for the specific DNA repair inhibition in irradiated cells.\r\n\r\n","Pharmacodynamics":"Although lucanthone has structural and biochemical similarities to Actinomycin D, it has no hematological or gastro-intestinal toxicity at clinically tolerated doses. In trials, Lucanthone was found to be safe, practical and effective and was proposed for use in clinical protocols for the treatment of cancer. The specificity of lucanthone in combination with radiation for the treatment of brain tumors arises from the fact that lucanthone acts preferentially on cycling cells (most of the normal brain cells are non-cycling) and the fact that lucanthone crosses the blood brain barrier efficiently.","Absorption":"Orally available","Interactions":null,"Salts":[{"ID":"DBSALT000826","Name":"Lucanthone hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB04968","Name":"PH94B","DrugType":"small molecule","HalfLife":"","Description":"PH94B is being developed by Pherin Pharmaceuticals, Inc. for the treatment of social phobias (generalized anxiety disorder). It is a member of a new family of pharmaceutical compounds called vomeropherins.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Intended for the acute treatment of social phobia.","Toxicity":"","MechanismOfAction":"There is little information available on the mechanism of action of vomeropherins. These compounds are delivered to the nasal passages and bind to chemoreceptors that in turn affect the hypothalamus and the limbic system.","Pharmacodynamics":"Vomeropherin compounds are directly delivered to the nasal passages using either a metered nasal spray or a metered nasal aerosol. By virtue of the chemoreceptor’s location in the nasal passages, direct connections to the hypothalamus and limbic system and the ability of our compounds to act locally, vomeropherins do not need to achieve systemic absorption and distribution. This provides a significant therapeutic advantage over traditional therapeutics targeted at the hypothalamus and limbic system that require access to systemic circulation and must cross the blood-brain barrier followed by uptake into the brain to exert effects.","Absorption":"Absorbed following nasal administration.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04969","Name":"NV1020","DrugType":"biotech","HalfLife":"","Description":"NV1020, a genetically engineered herpes simplex virus, is a novel anticancer therapeutic.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"Cancer-killing viruses, so-called oncolytic viruses are specific herpes simplex viruses, or HSVs, generally known as the cause of cold sores. These viruses are used, however, in a modified and \"disarmed\" form in order to make them utilizable as a therapeutic agent in humans. This is achieved by switching off certain genes that normally enable the virus to multiply in healthy cells, which would destroy these cells. As a result of this genetic modification, the HSVs are able to reproduce in tumor cells solely, since only these offer an environment that compensates for the loss of the removed viral genes. Consequently, the virus is able to replicate in the tumor cells, selectively destroying them without harming healthy tissue.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04970","Name":"Lesopitron","DrugType":"small molecule","HalfLife":"1.1 to 5.6 hours","Description":"Lesopitron is an anxiolytic with pre- and post-synaptic 5-HT1A agonist activity, which is under development by Esteve.","Classification":{"Description":"This compound belongs to the diazinanes. These are organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen atoms.","DirectParent":"Diazinanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazinanes","SubClass":""},"Indication":"Intended for the treatment of anxiety disorders.","Toxicity":"The most commonly reported adverse events in all the panels in one study were headache, dizziness, and nausea [PMID: 8959472].","MechanismOfAction":"Lesopitron acts as a ligand for central serotonin 5-HT1A receptors. Lesopitron inhibits haloperidol-induced catalepsy that is the consequence of its action on 5-HT1A autoreceptors. The ability of lesopitron to induce 5-HT syndrome reflects post-synaptic 5-HT1A receptor activation and the reversion of 8-OHDPAT-induced 5-HT syndrome by lesopitron suggests a partial agonist effect on this receptor-type. Lesopitron induced a hypothermic effect due to the enhanced activation of post-synaptic 5-HT1A receptors. The agonist effect of lesopitron on 5-HT1A receptors and its marked hypothermic effect is an added value for this drug and a stimulus to the study of its possible neuroprotective action.","Pharmacodynamics":"In phase I trials in healthy volunteers, lesopitron was well tolerated in single doses up to 50 mg, and up to 45 mg/day in repeated doses. Lesopitron has negligible effects on alpha-adrenergic and dopaminergic receptors, and was more potent than structurally-related 5-HT1A agonists in rat social interaction and marmoset anxiety models. It also countered benzodiazepine withdrawal-induced anxiety in rodents. The acute toxicity of lesopitron is low and it does not potentiate the effects of alcohol or barbiturates. Long-term usage led to reductions in plasma glucose, triglycerides, phospholipids and cholesterol.","Absorption":"Rapidly absorbed in patients, having a time to maximum concentration (Tmax) ranging from 0.5 to 1 hour. The absolute bioavailability of lesopitron in rats was about 10%, suggesting an important first-pass effect.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04971","Name":"Reglixane","DrugType":"small molecule","HalfLife":"","Description":"Reglixane, an isoxazolidine-3,5-dione derivative, is being developed by Pfizer for the treatment of diabetes. It is the first non-thiazolidenedione to enter clinical trials.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of diabetes mellitus type 1 and 2.","Toxicity":"","MechanismOfAction":"Reglixane is an agonist of peroxisome proliferator-activated receptor (PPAR) gamma and alpha.","Pharmacodynamics":"Reglixane shows a hypoglycemic effect and also a stronger triglyceride-lowering effect than the thiazolidine-2,4-diones. In preclinical studies, reglixane has been shown to prevent several diabetic complications, such as cataract, nephropathy, and neuropathy.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04972","Name":"Canfosfamide","DrugType":"small molecule","HalfLife":"18 min","Description":"Canfosfamide is an active agent in chemotherapy-resistant ovarian cancer.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"Canfosfamide-related toxicities included grade 1-2 nausea, vomiting, fatigue, transient microscopic hematuria, and anemia.","MechanismOfAction":"S-transferase P1-1 (GST P1-1) is an enzyme overexpressed in many human cancer cells. High levels of GST P1-1 are associated with a poor prognosis and resistance to certain chemotherapeutics. The activation of canfosfamide occurs when GST P1-1 splits canfosfamide into two active fragments: a glutathione analog fragment and an active cytotoxic fragment. The cytotoxic fragment reacts with important cell components, including RNA, DNA and proteins, leading to cell death. The glutathione analog fragment of canfosfamide may remain bound to GST P1-1, which may limit the ability of GST P1-1 to inactivate other cancer drugs. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000827","Name":"Canfosfamide Hydrochloride"}],"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04973","Name":"LErafAON","DrugType":"biotech","HalfLife":"In monkeys, the terminal plasma half-life of 30.36 +/- 23.87 hours was observed at an i.v. dose of 6.25 mg/kg.","Description":"NeoPharm is developing liposome-encapsulated, c-Raf antisense oligodeoxynucleotides (LErafAON) for the potential treatment of various solid tumors, including those that have become resistant to radiation or chemotherapy. Phase I/II trials commenced in March 2001 and were ongoing as of June 2003.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"Raf-1 protein serine threonine kinase plays an important role in cell survival and proliferation. Antisense inhibition of Raf-1 expression by drugs such as LErafAON has been shown to enhance the cytotoxic effects of radiation and anticancer drugs.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04974","Name":"AP1903","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bone marrow transplant and graft versus host disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04975","Name":"Banoxantrone","DrugType":"small molecule","HalfLife":"0.64 to 0.83 hours","Description":"Banoxantrone is a highly selective bioreductive drug that is activated in, and is preferentially toxic to, hypoxic cells in tumours. It has been shown to work synergistically with fractionated radiation to significantly delay growth of tumours compared to administration of either banoxantrone or radiation alone. Banoxantrone was also efficacious in tumour models when administered in combination with either cisplatin or chemoradiation. (PMID: 10864207)","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"Banoxantrone (formally known as AQ4N) is preferentially and irreversibly converted to AQ4, its cytotoxic form, in hypoxic tumour cells where it remains localised. When the surrounding oxygenated cells are killed by radiotherapy or chemotherapy bringing these AQ4-containing quiescent cells closer to the oxygen source, they become reoxygenated, attempt to resume replication and, in this state, are killed by AQ4 through potent DNA intercalation and topoisomerase II inhibition.","Pharmacodynamics":"AQ4N was rationally designed to have anti-tumor activity following bioreduction by tissue cytochrome P450 to AQ4, an active DNA topoisomerase II inhibitor. Preclinical studies demonstrated AQ4N selectively targets lymphoid tissues and hypoxic tumor tissues.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04976","Name":"M40403","DrugType":"biotech","HalfLife":"","Description":"M40403 is a low molecular weight, synthetic manganese containing superoxide dismutase mimetic (SODm) that selectively removes superoxide anion.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of pain and possibly various forms of cancer.","Toxicity":"","MechanismOfAction":"M40403 is the lead candidate in a unique class of compounds known as\r\nsuperoxide dismutase (SOD) mimetics. These stable, low molecular weight\r\ncompounds mimic the effect of superoxide dismutase, a naturally occurring\r\nenzyme designed to destroy superoxide free radicals present in various\r\ndiseases associated with pain and inflammation.","Pharmacodynamics":"M40403 treatment exerts a protective effect against ischaemia-reperfusion-induced myocardial injury, supporting a key role for superoxide anion in reperfusion injuries.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04977","Name":"Aplidine","DrugType":"small molecule","HalfLife":"","Description":"Aplidine is a compound found in tunicates which shows promise in shrinking tumors in pancreatic, stomach, bladder, and prostate cancers. The specific marine organism is \u003ci\u003eAplidium albicans\u003c/i\u003e. Aplidine consists of peptide molecules. In addition to the cancers mentioned above it is also under consideration as a treatment for some types of leukemia. [Wikipedia]","Classification":{"Description":"This compound belongs to the cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.","DirectParent":"Cyclic Depsipeptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"Aplidine inhibits the growth and induces apoptosis in MOLT-4 cells through the indirect inhibition of VEGF secretion which blocks the VEGF/VEGFR-1 autocrine loop necessary for the growth of these cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04978","Name":"SP1049C","DrugType":"small molecule","HalfLife":"","Description":"SP1049C is a novel anthracycline chemotherapeutic agent designed to overcome drug resistance in a number of cancers. It has successfully completed Phase 1 trials. Phase 2 results are currently under final review. Preliminary data, in its first clinically tested indication, shows that SP1049C is active in Stage IV non-resectable adenocarcinoma of the oesophagus. Median survival is encouraging and correlates strongly with dose levels.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Intended for the treatment of carcinoma of the oesophagus.","Toxicity":"","MechanismOfAction":"SP1049C is a novel anticancer agent containing doxorubicin and two nonionic pluronic block copolymers. Doxorubicin has antimitotic and cytotoxic activity through a number of proposed mechanisms of action: Doxorubicin forms complexes with DNA by intercalation between base pairs, and it inhibits topoisomerase II activity by stabilizing the DNA-topoisomerase II complex, preventing the religation portion of the ligation-religation reaction that topoisomerase II catalyzes.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04979","Name":"AVR118","DrugType":"biotech","HalfLife":"","Description":"AVR118 represents a new type of biopolymer chemistry that also possesses novel immunomodulator activity. This non-toxic peptide-nucleic acid, which to date has shown no indication of human toxicity, appears to stimulate the proinflammatory responses required to combat viral infections such as AIDS and human papilloma virus and to dampen aberrant autoimmune-type inflammatory responses. AVR118 is being studied for the promise shown in its ability to mitigate the toxic side effects of other drugs (including those used to treat HIV infection and chemotherapeutic drugs employed in the treatment of cancers); for its ability to stimulate the immune system to attack tumor cells (especially those cancer cells that have been damaged by chemotherapeutic agents) and for its ability to treat cachexia (wasting) in patients with AIDS or cancer.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"AVR118 stimulates the peripheral blood mononuclear cell (PBMC) production of the proinflammatory cytokines IFN-y, IL-1b, IL-6 and TNF-a. This agent may reduce HIV-1 p24 antigen; viral reverse transcriptase activity; syncitial cell formation; and viral mRNA in infected PBMCs and human CD4+ lymphocyte H9 cells, and may decrease viral loads and increase CD4+ and CD8+ T-cell counts in HIV patients. In vitro, AVR118 has been shown to induce the maturation of HL60 leukemic cells and to inhibit the invasive and metastatic properties of a highly malignant breast cancer cell line.","Pharmacodynamics":"AVR118 is a peptide-nucleic acid immunomodulator with proinflammatory, broad-spectrum antiviral, and potential antineoplastic activities.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04980","Name":"Lemuteporfin","DrugType":"small molecule","HalfLife":"","Description":"Lemuteporfin, under development by QLT Incorporated, is a benzoporphyrin-derived chlorin-like photosensitizer. It is intended for the treatment of beign prostatic hyperplasia.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Intended for the treatment of benign prostatic hyperplasia and prostrate disorders.","Toxicity":"","MechanismOfAction":"Lemuteporfin is transported in the plasma primarily by lipoproteins. Once lemuteporfin is activated by light in the presence of oxygen, highly reactive, short-lived singlet oxygen and reactive oxygen radicals are generated. Light activation of lemuteporfin results in local damage to neovascular endothelium, resulting in vessel occlusion. Damaged endothelium is known to release procoagulant and vasoactive factors through the lipo-oxygenase (leukotriene) and cyclo-oxygenase (eicosanoids such as thromboxane) pathways, resulting in platelet aggregation, fibrin clot formation and vasoconstriction.","Pharmacodynamics":"Trial data accumulated thus far indicate a generally positive tollerability profile and preliminary efficacy.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04981","Name":"CG7870","DrugType":"biotech","HalfLife":"","Description":"CG7870 is an oncolytic virus therapy for prostate cancer. It is a replication-selective, prostate-specific antigen-targeted oncolytic adenovirus, for the treatment of hormone-refractory, metastatic prostate cancer.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"CG7870 is genetically engineered to replicate preferentially in prostate tissue, ignoring healthy cells. In this manner, the virus is able to selectively attack and kill tumorous cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04982","Name":"Talampanel","DrugType":"small molecule","HalfLife":"3-6 hours","Description":"Talampanel is a substance that is being studied in the treatment of brain tumors and other brain disorders, such as epilepsy and Parkinson disease. It is a type of AMPA receptor antagonist.","Classification":{"Description":"This compound belongs to the benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole.","DirectParent":"Benzodioxoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxoles","SubClass":""},"Indication":"For the treatment of epilepsy.","Toxicity":"","MechanismOfAction":"Talampanel is a potent noncompetitive and selective antagonist of the glutamine AMPA receptors. Studies in primates have shown that the administration of talampanel to parkinsonian monkeys significantly decreased levodopa-induced dyskinesias by 40%. When given alone, talampanel did not modify the severity of parkinsonian symptoms. However, in combination with levodopa, talampanel potentiated the antiparkinsonian action of levodopa by increasing motor activity.","Pharmacodynamics":"Talampanel, a potent and selective alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionate (AMPA)-receptor antagonist, is a potential new antiepileptic drug (AED). Talampanel dosing strategies may be reliant on concomitant AED medication, as enzyme-inducing AEDs enhance, whereas VPA inhibits its metabolism. Talampanel was well tolerated, although adverse events occurred at lower doses compared with those in healthy subjects, probably because of the additive effect of concomitant AEDs.","Absorption":"Rapidly absorbed, with maximal plasma concentrations achieved within 1-3 hours.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04983","Name":"Denufosol","DrugType":"small molecule","HalfLife":"","Description":"Denufosol (INN) is an inhaled drug for the treatment of cystic fibrosis, being developed by Inspire Pharmaceuticals and sponsored by the Cystic Fibrosis Foundation. It was tested in two Phase III clinical trials, TIGER-1 and TIGER-2. Initially, in the first Phase III trial, TIGER-1, the compound showed significant results as compared with placebo. In the second Phase III trial, TIGER-2, the compound did not meet the primary endpoint, a significant change in baseline FEV1 (forced expiratory volume in one second) at the week 48 endpoint as compared to placebo. As of 2011, no additional clinical studies are being conducted with the compound. The drug was also investigated for the treatment of retinal detachment and other retinal diseases, but trials were terminated in 2006. [Wikipedia]","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside polyphosphates. These are pyrimidine ribobucleotides with polyphosphate (with 4 or more phosphate) group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Polyphosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"For use as an inhaled treatment for cystic fibrosis.","Toxicity":"","MechanismOfAction":"Denufosol tetrasodium is a selective P2Y2 agonist designed to enhance the lung's innate mucosal hydration and mucociliary clearance mechanisms by activating an alternative ion channel that acts in the same way as the defective ion channel in moving salt and water to the surface of the airways. Based on pre-clinical and clinical work, denufosol has several pharmacological actions contributing to its mechanism of action: hydration of the airways by stimulating chloride and liquid secretions on the epithelial cell surface; inhibition of epithelial sodium absorption; enhancement of ciliary beat frequency; and stimulation of mucin secretion. This unique mechanism of action represents a differentiated approach relative to other approved CF products and may be important in intervening in the early clinical course of CF lung disease.","Pharmacodynamics":"Denufosol is designed to enhance the lung's innate mucosal hydration and mucociliary clearance through stimulation of the P2Y2 receptor. The pharmacologic profile of denufosol parallels that of UTP, leading to increased chloride and water secretion, increased cilia beat frequency, and increased mucin release. ","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000847","Name":"Denufosol tetrasodium"}],"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04985","Name":"PCK3145","DrugType":"biotech","HalfLife":"0.35 hours to 1.45 hours","Description":"PCK3145 is a synthetic 15-mer peptide that is derived from the natural sequence of amino acids of the prostate secretory protein (PSP94), one of three predominant proteins found in human seminal fluid.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of late stage Hormone Refractory Prostate Cancer (HRPC) for which no effective therapy currently exists.\r\n\r\n","Toxicity":"Non-clinical toxicology studies in mice and primates indicated that a treatment for 28 consecutive days by intravenous administration of PCK3145 up to 450 mg/kg/day in mice and 25 mg/kg/day in primates resulted in no clear evidence of toxicity.","MechanismOfAction":"The mechanism of action and receptor for PCK3145 suggests PCK3145 to be a signal transduction inhibitor with multiple ways (apoptosis, anti-angiogenesis and anti-metastasis) to restrict disease development.","Pharmacodynamics":"PCK3145 is a synthetic 15-mer peptide that is derived from the natural sequence of amino acids of the prostate secretory protein (PSP94), one of three predominant proteins found in human seminal fluid. PSP94 expression in the prostate is down regulated in patients with advanced prostate cancer, and believed to be a survival mechanism for the cancer cells. Results from an earlier trial conducted in the U.K. showed PCK3145 to be safe and well tolerated at all doses tested and further suggest that it also plays a role in preventing the metastatic process as measured by its effect on MMP-9 levels, a Gelatinase B enzyme involved in angiogenesis, tumor invasion and metastasis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04986","Name":"ZYC300","DrugType":"biotech","HalfLife":"","Description":"ZYC300 is a plasmid DNA of CYP1B1 encapsulated in biodegradable poly-DL-lactide-coglycolide microparticles. It is designed as a vaccine, intended to increase immune system sensitivity to CYP1B1, an enzyme highly prevalent in tumor cells.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"CYP1B1 is a unique extra-hepatic member of the cytochrome P450 family of monooxygenases. The CYP1B1 protein is over-expressed in all primary human tumors with minimal expression in critical normal tissues making this an attractive target for immunotherapy. CYP1B1-specific human T lymphocytes lyse tumor cells but not normal cells. To explore the potential clinical utility of elevated CYP1B1 immune responses, a pDNA-based immunogen was developed (ZYC300). The ZYC300 formulation is comprised of PLG microparticles containing a plasmid DNA with a CMV promoter that drives expression of mutated CYP1B1 protein.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04987","Name":"P113D","DrugType":"biotech","HalfLife":"","Description":"P113D is a novel 12 amino-acid antimicrobial peptide drug derived from histatins, which are compounds found naturally in human saliva. It is being pursued as a potential treatment for cystic fibrosis by Demegen, Inc.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the potential treatment of cystic fibrosis and bacterial infections.","Toxicity":"","MechanismOfAction":"For both bacteria and fungi such as \u003ci\u003eCandida albicans\u003c/i\u003e, P113D has been shown to kill cells as opposed to simply inhibiting their growth. It has been demonstrated that P113D acts by binding to the cell surface and increasing the permeability of both the outer and inner membranes of the cells of Gram negative bacteria, killing them within seconds. ","Pharmacodynamics":"P113D has demonstrated activity against CF patient clinical isolates of bacteria that are resistant to traditional antibiotics. The compound is stable and maintains activity in sputum of CF patients. P113 was determined to be the smallest histatin fragment which retained antimicrobial activity equivalent to that of the parent compound. Interestingly, synthesizing P113 with D-amino acids gave rise P113D, a compound that was impervious to enzymatic degradation and maintained the antimicrobial activity of the parent compound. P113D also has very potent in vitro activity against a variety of Gram negative and positive bacteria including \u003ci\u003eP. aeruginosa\u003c/i\u003e, \u003ci\u003eS. aureus\u003c/i\u003e, \u003ci\u003eH. influenzae\u003c/i\u003e, \u003ci\u003eS. typhimurium\u003c/i\u003e, \u003ci\u003eE. coli\u003c/i\u003e, \u003ci\u003eS. epidermidis\u003c/i\u003e, \u003ci\u003eS. mutans\u003c/i\u003e and \u003ci\u003eS. sobrinus\u003c/i\u003e. In the case of \u003ci\u003eP. aeruginosa\u003c/i\u003e and \u003ci\u003eS. aureus\u003c/i\u003e, antibacterial activity has been demonstrated against a variety of CF patient clinical isolates which are resistant to traditional antibiotics. \u003ci\u003eP. aeruginosa\u003c/i\u003e isolates that produce thick alginate secretions (mucoid phenotype) are also susceptible to killing by P113D.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04988","Name":"IGN311","DrugType":"biotech","HalfLife":"","Description":"IGN311 is a humanized monoclonal antibody (mab) against the Lewis Y carbohydrate antigen, a blood-group-related oligosaccharide.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"IGN311 is a humanized monoclonal antibody against the Lewis Y carbohydrate antigen, a blood-group-related oligosaccharide. Lewis Y is over-expressed in up to 90% of all epithelial cancers and its expression on adult normal tissues is very restricted; hence IGN311 has the potential to target a broad range of carcinomas. IGN311 is designed to exert clinical effects by destruction of tumor cells by activation of effector functions and by selective growth inhibition via functional receptors.","Pharmacodynamics":"IGN311 is a fully humanized IgG1 variant 1 of the parent murine IgG3 mab ABL 364. It is an antibody against the Lewis-Y carbohydrate antigen and Igeneon's next-generation antibody, IGN312.\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04989","Name":"Ty800","DrugType":"biotech","HalfLife":"","Description":"Ty800 is a vaccine designed to offer rapid, oral, single-dose protection against \u003ci\u003eSalmonella typhi\u003c/i\u003e, the cause of typhoid fever. The Ty800 vaccine was developed using genetic techniques to delete specific genes known to be essential to the virulence of \u003ci\u003eS. typhi\u003c/i\u003e. It is being developed by AVANT Immunotherapeutics, Inc.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the production of immunity to \u003ci\u003eSalmonella typhi\u003c/i\u003e, the cause of typhoid fever.","Toxicity":"","MechanismOfAction":"Ty800 is a vaccine developed via the deletion of the phoP/phoQ virulence regulatory genes of \u003ci\u003eSalmonella typhi Ty2\u003c/i\u003e. This enables the immune system to detect the applicable antibodies present on the natural virus without risking the patient.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04991","Name":"XL784","DrugType":"small molecule","HalfLife":"Approximately 8 hours","Description":"XL784 is a potent inhibitor of the ADAM-10 metalloprotease enzyme, a target of significant interest because of its important role in blood vessel formation and cell proliferation. XL784 was specifically optimized to be MMP-1 sparing, thus potentially enhancing its safety profile and enabling higher dosing compared with other previously studied metalloprotease inhibitors. Results of single dose Phase I clinical trials of XL784 administered orally to 96 healthy volunteers have demonstrated that XL784 has attractive safety and pharmacokinetic profiles. It is being developed by Exelixis, Inc.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For treatment in patients with diabetes who have clinically significant proteinuria.","Toxicity":"","MechanismOfAction":"XL784 is a potent small molecule inhibitor of the ADAM-10 metalloprotease enzyme, which plays a role in blood vessel formation and cell proliferation that can cause renal fibrosis and impairment.","Pharmacodynamics":"XL784 is a potent inhibitor of the ADAM-10 metalloprotease (MP) enzyme, a target of significant interest because of its important role in blood vessel formation and cell proliferation. XL784 was specifically optimized to spare matrix metalloprotease 1 (MMP1), thus potentially significantly enhancing its safety profile and enabling higher dosing in comparison to other MMP inhibitors. Data from a Phase 1 clinical trial of orally administered XL784 in 70 healthy volunteers showed single doses of the compound to be free of side effects and to have an attractive pharmacokinetic profile. XL784 has been reformulated for chronic administration and has demonstrated dose-proportional absorption, was orally bioavailable and was well tolerated.","Absorption":"Orally bioavailable","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04992","Name":"AP5346","DrugType":"small molecule","HalfLife":"","Description":"AP5346 is designed to target a diaminocyclohexane platinum (Pt) moiety to tumors through pH-sensitive linkage to a 25 kDa hydroxypropylmethacrylamide polymer. It is being pursued by Access Pharmaceuticals, Inc.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"Utilizing the biocompatible water-soluble polymer HPMA as a drug carrier, AP5346 links DACH platinum to the polymer in a manner which permits the selective release of platinum in tumors. The polymer capitalizes on the biological differences in the permeability of blood vessels at tumor sites versus normal tissue. In this way, tumor selective delivery and platinum release is achieved. Once delivered to the tumor, platinum binds preferentially to the guanine and cytosine moieties of DNA, leading to cross-linking of DNA, thus inhibiting DNA synthesis and function.","Pharmacodynamics":"Preclinical studies of the delivery of platinum to tumors in an animal model has shown that, compared with oxaliplatin at equitoxic doses, AP5346 delivers in excess of 16 times more platinum to the tumor. An analysis of tumor DNA, which is the main target for anti-cancer platinum agents, has shown that in excess of 13 times more platinum tumor DNA complexes were formed from AP5346 than oxaliplatin in these studies. Results from preclinical efficacy studies conducted in the B16 and other tumor models have also shown that AP5346 is superior to oxaliplatin in inhibiting the growth of tumors.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04995","Name":"AT1022","DrugType":"small molecule","HalfLife":"","Description":"AT1022 is a hydromorphone skin patch designed to provide rapid and sustained delivery of a potent opiate for the management of severe pain.\r\nAT1022 incorporates PassPort(TM) system, developed to deliver protein and peptide drugs, small-molecule drugs, genes and vaccines across the skin for local and systemic effect.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04996","Name":"Satraplatin","DrugType":"small molecule","HalfLife":"","Description":"Satraplatin is a platinum compound that is currently under investigation as one treatment of patients with advanced prostate cancer who have failed previous chemotherapy. As an investigation drug, it has not yet received U.S. Food and Drug Administration (FDA) approval and is not available in retail pharmacies.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in lung cancer, prostate cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"The drug has also been used in the treatment of lung and ovarian cancers. The mode of action is that the compound binds to the DNA of cancer cells rendering them incapable of dividing.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04997","Name":"ATL1102","DrugType":"small molecule","HalfLife":"","Description":"ATL1102 is a second-generation antisense inhibitor of CD49d, an immunesystem protein known as VLA-4, an immune cell molecule. It works by entering cells and targeting genes.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma and multiple sclerosis.","Toxicity":"","MechanismOfAction":"With Multiple Sclerosis, excessive amounts of VLA-4 are believed to mediate the inappropriate migration of lymphocytes into the central nervous system, contributing to the pathogenesis of the disease. The inhibition of VLA-4 may prevent white blood cells from entering sites of inflammation, thereby halting progression of the disease. The mechanism of action of ATL1102 in blocking VLA-4 isdifferent to other drugs in development that target this same protein,including the monoclonal antibody Tysabri(R).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04998","Name":"AGRO100","DrugType":"small molecule","HalfLife":"","Description":"AGRO100 is an oligonucleotide that functions as an aptamer and binds to nucleolin, a protein found intranuclear in all cells, but uniquely expressed on the surface of tumor cells. Such binding leads to internalization of the complex, and a strong anti-proliferative response in the tumor cell.\r\nPre-clinical testing demonstrates that the AGRO100 inhibition of nucleolin function produces anti-cancer effects against multiple types of the disease, including lung, prostate, breast, cervical, and colon cancer, as well as malignant melanoma and leukemia.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), kidney cancer, leukemia (myeloid), and pancreatic cancer.","Toxicity":"","MechanismOfAction":"AGRO100, an experimental anticancer drug that recently entered human clinical trials, is a member of a novel class of antiproliferative agents known as G-rich oligonucleotides (GRO), which are non-antisense, guanosine-rich phosphodiester oligodeoxynucleotides that form stable G-quadruplex structures. The biological activity of GROs results from their binding to specific cellular proteins as aptamers. One important target protein of GROs has been previously identified as nucleolin, a multifunctional protein expressed at high levels by cancer cells. AGRO100 also associates with nuclear factor-{kappa}B (NF-{kappa}B) essential modulator (NEMO), which is a regulatory subunit of the inhibitor of {kappa}B (I{kappa}B) kinase (IKK) complex, and also called IKK{gamma}. In the classic NF-{kappa}B pathway, the IKK complex is required for phosphorylation of I{kappa}B{alpha} and subsequent activation of the transcription factor NF-{kappa}B. Research shows that treatment of cancer cells with AGRO100 inhibits IKK activity and reduces phosphorylation of I{kappa}B{alpha} in response to tumor necrosis factor-{alpha} stimulation. It also shows that AGRO100 blocks both tumor necrosis factor-{alpha}-induced and constitutive NF-{kappa}B activity in human cancer cell lines derived from cervical, prostate, breast, and lung carcinomas. In addition, in AGRO100-treated cancer cells, NEMO is coprecipitated by nucleolin, indicating that both proteins are present in the same complex. Studies suggest that abrogation of NF-{kappa}B activity may contribute to the anticancer effects of AGRO100 and that nucleolin may play a previously unknown role in regulating the NF-{kappa}B pathway. [PubMed: 16891465]","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB04999","Name":"MBO7133","DrugType":"small molecule","HalfLife":"","Description":"MB07133 is a HepDirect prodrug of an activated form of cytarabine (araC), an anti-cancer drug that is used to treat leukemia but is ineffective against primary liver cancer. AraC's anti-cancer activity is associated with its ability to be converted to its biologically active form, araCTP. However, araC is only slowly converted to araCTP in the liver or in primary liver tumors due to low levels of an enzyme in the liver that is required for the conversion of araC to araCMP, the first step in the activation pathway of the drug. Higher doses of araC cannot be used to overcome this limitation due to bone marrow toxicity resulting from rapid activation in that tissue. MB07133 uses our HepDirect technology to target a prodrug form of araCMP specifically to the liver. Once in the liver cell, the prodrug is rapidly cleaved, producing araCMP, bypassing the rate-limiting enzyme. Once generated in the target tissue, araCMP is rapidly converted to araCTP, the cancer-killing active form. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in liver cancer.","Toxicity":"","MechanismOfAction":"MB07133 is a novel HepDirect prodrug of cytarabine monophosphate designed to produce the oncolytically active form, cytarabine triphosphate, in the liver tumor where it acts to inhibit cell proliferation and induce apoptosis or cell death.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05000","Name":"AeroLEF","DrugType":"biotech","HalfLife":"","Description":"AeroLEF™ (aerosolized liposome-encapsulated fentanyl) is a novel, proprietary inhalation formulation of free and liposome-encapsulated fentanyl intended to provide rapid, extended and personalized analgesia for patients experiencing acute pain episodes. AeroLEF™ is in development for the treatment of moderate to severe pain, including cancer pain.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"AeroLEF is developed to offer a simple and non-invasive route of administration, rapid onset of action, sustained effect and self-titratable dosing for the treatment of acute and breakthrough pain, conditions that are common in cancer patients and underserved by existing fixed-dose delivery technologies. Using AeroLEF, patients can identify and select a personalized dose for each pain episode, achieving both rapid onset and extended duration of analgesia.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05001","Name":"PSN9301","DrugType":"small molecule","HalfLife":"","Description":"PSN9301 is an oral small molecule inhibitor of Dipeptidyl Peptidase IV (DP-IV), being developed for the treatment of type 2 diabetes. PSN9301 has a very rapid onset and a relatively short duration of action, and available pre-clinical and clinical data indicate that it may be an ideal product candidate for meal-related dosing.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 1 and 2.","Toxicity":"","MechanismOfAction":"PSN9301 is an oral small molecule inhibitor of Dipeptidyl Peptidase IV (DP-IV), an enzyme involved in the inactivation of the gut hormone glucagon-like peptide-1 (GLP-1). GLP-1 plays an important role in regulating meal-related blood glucose by increasing the amount of insulin secreted in response to meals. PSN9301 increases GLP-1 activity and causes significant lowering of blood glucose levels. The increase in insulin secretion in response to GLP-1 is glucose-dependent, providing a built in safety mechanism against low blood glucose levels (hypoglycaemia) in response to treatment with DP-IV inhibitors.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05003","Name":"Imexon","DrugType":"small molecule","HalfLife":"","Description":"Imexon is a substance that is being studied in the treatment of some types of cancer, including pancreatic, lung, breast, prostate, melanoma, and multiple myeloma. It belongs to the family of drugs called cyanoaziridine derivatives. Also called Amplimexon. Imexon is a cyanoaziridine derivative.\r\nImexon is a thiol-binding small molecule which induces mitochondrial oxidation, a loss of membrane potential and cytochrome C, leading to apoptosis.","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Investigated for use/treatment in melanoma, multiple myeloma, ovarian cancer, pancreatic cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"Imexon enters the cell and binds to glutathione and other sulfhydryl compounds, effectively preventing them from scavenging the toxic free radicals. So, particularly in the rapidly dividing cancer cell, free radical build-up in the presence of imexon leads to changes in mitochondrial membrane potential and ultimately to the mitochondria swelling and bursting. Mitochondrial proteins, in particular cytochrome c, are released into the cytoplasm and this activates caspase-mediated apoptosis resulting in cancer cell death. This sequence of events has been well characterized and published in several papers in leading cancer journals. Imexon is probably the only cancer drug under development at this time which exploits this mechanism of action.\r\nImexon is an inhibitor of ribonucleotide reductase, a key enzyme in DNA synthesis that is also a target for gemcitabine. Imexon is also a cell cycle inhibitor and in the presence of the drug cells accumulate in S phase.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05004","Name":"AC162352","DrugType":"small molecule","HalfLife":"","Description":"AC162352, a synthetic human PYY 3-36, is a compound being evaluated for the treatment of obesity. It reduces appetite and increases satiety in obese patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in metabolic disease and obesity.","Toxicity":"","MechanismOfAction":"PYY 3-36 acts via the presynaptic Y2 receptor in the ARC. It decreases neuropeptide Y (NPY) release from static hypothalamic explants and thus acts to decrease food intake.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05005","Name":"CCX282","DrugType":"small molecule","HalfLife":"","Description":"CCX282, is a novel, orally active anti-inflammatory agent that targets a chemokine receptor protein implicated in both Crohn's disease and ulcerative colitis, the two principal forms of IBD.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in crohn's disease, inflammatory bowel disease, and ulcerative colitis.","Toxicity":"","MechanismOfAction":"CCX282, a small molecule, orally-available drug, is intended to control the inappropriate immune system response underlying IBD by blocking the activity of the CCR9 chemokine receptor. In adults, CCR9 is a highly specific receptor expressed by T cells that migrate selectively to the digestive tract. The trafficking of T cells to the small and large intestine causes persistent inflammation that may result in Crohn's disease or ulcerative colitis - the two principal forms of IBD.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05006","Name":"MT201","DrugType":"small molecule","HalfLife":"","Description":"MT201 is a recombinant human monoclonal antibody of the IgG1 subclass with a binding specificity to epithelial cell adhesion molecule (EpCAM). EpCAM (CD326) is a cell surface protein that is frequently expressed at high level on most solid tumor types, including prostate, breast, colon, gastric, ovarian, pancreatic and lung cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer and prostate cancer.","Toxicity":"","MechanismOfAction":"Adecatumumab (MT201) is a recombinant human monoclonal antibody of the IgG1 subclass with a binding specificity to epithelial cell adhesion molecule (EpCAM). EpCAM (CD326) is a cell surface protein that is frequently expressed at high level on most solid tumor types, including prostate, breast, colon, gastric, ovarian, pancreatic and lung cancer. Overexpression of EpCAM has been shown to promote the proliferation, migration and invasiveness of breast cancer cells. Moreover, expression of EpCAM is associated with decreased survival in a number of cancer indications, including breast, gall bladder, bile duct, ovarian and ampullary pancreatic cancer. EpCAM has recently been shown to be expressed on cancer stem cells from breast, prostate, colon and pancreatic cancer. Clinical studies have shown a favorable safety profile and that clinical activity depends on the EpCAM target expression.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05007","Name":"XL647","DrugType":"small molecule","HalfLife":"50-70 hours","Description":"XL647 is a potent inhibitor of multiple RTKs implicated in driving tumor cell proliferation and tumor vascularization (blood vessel formation). XL647 inhibits the EGF, HER2, and VEGF RTKs, each of which is a target of currently approved cancer therapies. In addition, XL647 inhibits EphB4, an RTK that is highly expressed in many human tumors and plays a role in promoting angiogenesis. In a broad array of preclinical tumor models including breast, lung, colon and prostate cancer, XL647 demonstrated potent inhibition of tumor growth and causes tumor regression. In cell culture models, XL647 retains significant potency against mutant EGFRs that are resistant to current EGFR inhibitors.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), lung cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"XL647 inhibits the EGF, HER2, and VEGF RTKs, each of which is a target of currently approved cancer therapies. In addition, XL647 inhibits EphB4, an RTK that is highly expressed in many human tumors and plays a role in promoting angiogenesis. In a broad array of preclinical tumor models including breast, lung, colon and prostate cancer, XL647 demonstrated potent inhibition of tumor growth and caused tumor regression. In cell culture models, XL647 retained significant potency against mutant EGFRs that cause resistance to current EGFR inhibitors.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05008","Name":"NB001","DrugType":"small molecule","HalfLife":"","Description":"NB001 is the first antimicrobial product in phase II clinical trials for the topical treatment of herpes labialis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in herpes labialis infections (cold sores).","Toxicity":"","MechanismOfAction":"NB001 is developed by NanoBio with an additional pharmaceutical treatments utilizing the NanoStat antimicrobial technology for fungal, viral and bacterial infections of the skin and mucous membranes. In addition to Herpes labialis, clinical trials has begun with NanoTxt, which is a topical treatment for nail fungus (onychomycosis). NanoBio's product has the potential to be the first topical treatment for nail fungus with efficacy similar to systemic medications.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05009","Name":"BMS068645","DrugType":"small molecule","HalfLife":"","Description":"BMS068645 is a selective A2a adenosine receptor agonist designed for use as a pharmacologic stress agent in cardiac perfusion imaging studies. It is developed by Bristol-Myers Squibb and is in phase II of clinical trials.","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Investigated for use/treatment in cardiovascular disorders and inflammatory disorders (unspecified).","Toxicity":"","MechanismOfAction":"BMS068645 is designed to selectively stimulate the A2a adenosine receptor responsible for coronary vasodilation. Research to date suggests that this compound could potentially reduce or eliminate side effects associated with currently available pharmacologic stress agents that are not selective for the A2a adenosine receptor.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05010","Name":"SGS742","DrugType":"small molecule","HalfLife":"4 hours","Description":"SGS742 is a selective GABAB receptor antagonist that has shown improvement in attention and memory in prior clinical studies. SGS742 has consistently shown positive benefits on the ability to improve attention, learning and memory.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease, attention deficit/hyperactivity disorder (ADHD), memory loss, and schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"SGS742 blocks the late inhibitory postsynaptic potential and the paired-pulse inhibition of population spikes recorded from CA1 pyramidal neurons of the hippocampus of rats in vitro and in vivo. SGS742 significantly enhances the release of glutamate, aspartate, glycine and somatostatin in vivo. Chronic administration of SGS742 causes an up-regulation of GABA(B) receptors in the frontal cortex of rats. Single doses cause a significant enhancement of the mRNA and protein levels of NGF and BDNF in the cortex and hippocampus of rats.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05011","Name":"EG004","DrugType":"small molecule","HalfLife":"","Description":"EG004 is a novel product consisting of a local delivery device and a gene-based medicine, being developed to prevent the blocking of veins and arteries that frequently occurs after vascular surgery. The initial target market is haemodialysis graft access surgery, a procedure in which patients whose kidneys have failed have a plastic tube grafted between blood vessels generally in their forearm so that their blood can be regularly filtered using a dialysis machine. EG004 has completed a Phase II trial, this being the first part of the Phase II/III study for which it has received approval from the US Recombinant DNA Advisory Committee (RAC).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders and kidney disease.","Toxicity":"","MechanismOfAction":"EG004 is a combination of a vascular endothelial growth factor (VEGF-D) gene packaged in an adenoviral vector (Ad 5) and a bio-degradable local drug delivery device made from collagen and invented by Ark. At the end of access graft surgery, the delivery device is fitted around the outside of the patient's vein where it has been joined to the access graft. The adenoviral vector carrying the VEGF gene is then injected into a space between the device and the blood vessel. This unique administration of the gene to the outside of the blood vessel rather than into the blood supply localises delivery of the gene to the target tissue site (smooth muscle cells) and reduces the risk of unwanted systemic effects. Once the VEGF gene is transfected locally, muscle cells in the vessel wall produce the VEGF protein which triggers the release of beneficial nitric oxide and prostacyclin. Ark has made a novel discovery by showing that the VEGF protein working via these two agents has a protective effect in vivo, keeping blood vessel walls in a healthy state and regulating muscle cell growth to prevent blocking of the vessel.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05012","Name":"XEN2174","DrugType":"small molecule","HalfLife":"","Description":"Xen2174 is a synthetic drug modeled on a peptide from the venom of a cone shell found on Australia's Great Barrier Reef. Xen2174 represents a new class of molecules, called the chi conopeptides that selectively inhibit the Norepinephrine Transporter (NET). NET is the primary mechanism regulating the biological effects of norepinephrine (NE) on the body. In episodes of pain, inhibition of NET by Xen2174 elevates the levels of NE leading to the activation of inhibitory pathways preventing pain signals from reaching the brain. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of chronic cancer pain.\r\n\r\n","Toxicity":"","MechanismOfAction":"Xen2174 targets the Norepinephrine Transporter (NET). Inhibition of this transporter elevates the levels of norepinephrine (NE) in the spinal cord preventing pain signals from reaching the brain. Xen2174 acts to restore the balance by promoting the activation of inhibitory pain pathways to relieve the sensation of pain.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05013","Name":"Ingenol Mebutate","DrugType":"small molecule","HalfLife":"There is no half-life quantity since ingenol mebutate is a topical treatment.","Description":"Ingenol mebutate was approved by the FDA in January 2012, and it is marketed under the name Picato®. Picato gel is indicated for the topical treatment of actinic keratosis. Before approval, ingenol mebutate was called PEP005 as an investigational drug. PEP005 is a selective small molecule activator of protein kinase C (PKC) extracted from the plant Euphorbia peplus, whose sap has been used as a traditional medicine for the treatment of skin conditions including warts and cancer. PEP005 also has potent anti-leukemic effects, inducing apoptosis in myeloid leukemia cell lines and primary AML cells at nanomolar concentrations. ","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"For the topical treatment of actinic keratosis.","Toxicity":"The most common adverse reactions are local skin reactions at the application site, headache, periorbital edema,and nasopharyngitis.","MechanismOfAction":"The exact mechanism of action of ingenol mebutate in actinic keratosis is unknown. It is presumed to involve primary necrosis then neutrophil-mediated inflammation and antibody-dependent cell death of residual disease cells. Additionally in early studies, PEP005 was shown to be an effective activator of PKC-delta and PKC-delta translocation into nucleus and membranes. PEP005 also downregulates the expression and activity of PKC-alpha. PEP005 induced modulation of PKCs leads to Ras/Raf/MAPK and p38 activation and AKT/PKB inhibition.\r\n\r\n","Pharmacodynamics":"The pharmacodynamics of ingenol mebutate in producing cell death in actinic keratosis is unknown.","Absorption":"Since ingenol mebutate is a topical treatment, the systemic absorption is less than 0.1 ng/mL.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB05014","Name":"XL999","DrugType":"small molecule","HalfLife":"","Description":"XL999 has the potential to provide benefit to patients with lung cancer and acute myelogenous leukemia. XL999 is a new chemical entity that inhibits a spectrum of receptor tyrosine kinases (RTKs) with growth promoting and angiogenic properties, including FGFR 1/3, PDGFRα/β, VEGFR2/KDR, KIT, and FLT3. XL999 also inhibits FLT4 and SRC. XL999 has the potential to prevent tumor growth — both directly by a novel effect on tumor cell proliferation and indirectly through inhibition of the host angiogenic response. XL999 induces a cell-cycle block by a mechanism distinct from those previously identified and exhibits broad antitumor activity in xenograft models.\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), lung cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"XL999 is a potent inhibitor of key receptor tyrosine kinases implicated in the development and maintenance of tumor vasculature and in the proliferation of some tumor cells. It inhibits FGFR1, FGFR3, RET, VEGFR2 and PDGFR, and is also a potent inhibitor of FLT3, an important driver of leukemia cell proliferation in some patients with acute myelogenous leukemia (AML). XL999 exhibited excellent activity in target-specific cellular functional assays.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05016","Name":"PTC124","DrugType":"small molecule","HalfLife":"3-6 hours","Description":"PTC124 is a novel, orally administered drug that targets nonsense mutations and is being investigated initially as a treatment for Duchenne muscular dystrophy (DMD) and cystic fibrosis (CF), with the potential to treat a number of other genetic disorders caused by nonsense mutations.","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Investigated for use/treatment in cystic fibrosis and muscular dystrophy.","Toxicity":"","MechanismOfAction":"PTC124 allowed the cellular machinery to bypass the nonsense mutation, continue the translation process, and thereby restore the production of a full-length, functional protein. \r\nThe research on the effects of PTC124 on the translation and stability of nonsense-containing mRNA in vitor show that PTC124 promoted readthrough at each of the nonsense codons, showing maximal activity with UGA, while having no effect on mRNA levels. Unlike the stable cell line assays, PTC124 did not discriminate significantly between the UAG and UAA mRNAs. PTC124 was a more potent nonsense-suppressing agent than gentamicin, and exhibited 4- to 15-fold stimulation of in vitro readthrough relative to the controls at levels similar to those in the stable cell reporter assays. These results indicate that PTC124 modulates termination efficiency at premature nonsense codons.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05017","Name":"YSIL6","DrugType":"small molecule","HalfLife":"","Description":"YSIL6 is a small-molecule drug in development for the treatment of inflammatory diseases, including rheumatoid arthritis and psoriasis. The molecule works by inhibiting TNF-alpha and IL-6 production in T-cells and macrophages, and by inhibiting T-cell proliferation and migration.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in crohn's disease, psoriasis and psoriatic disorders, and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"The molecule works by inhibiting TNF-alpha and IL-6 production in T-cells and macrophages, and by inhibiting T-cell proliferation and migration.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05018","Name":"Migalastat","DrugType":"small molecule","HalfLife":"","Description":"Amigal (migalastat hydrochloride) is an experimental, oral therapy for the treatment of Fabry disease and belongs to a class of molecules known as pharmacological chaperones.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in fabry disease.","Toxicity":"","MechanismOfAction":"Amigal acts by selectively binding to the misfolded enzyme responsible for Fabry disease, α-GAL. This may increase the enzyme’s stability and promote the proper folding, processing, and trafficking of the enzyme from the endoplasmic reticulum to its final destination, the lysosome, the area of the cell where the enzyme does its work. Once it reaches the lysosome, the pharmacological chaperone is displaced and the enzyme can perform its normal biological function, which is the breakdown of its natural substrate, GL-3.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000828","Name":"Migalastat hydrochloride"}],"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05019","Name":"LC16M8","DrugType":"biotech","HalfLife":"","Description":"LC16m8 is a next-generation, attenuated smallpox vaccine that is designed to have a better safety profile, yet be equally effective, compared to conventional smallpox vaccines. It is the only attenuated vaccine to be licensed for use in humans to prevent smallpox infection. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in viral infection.","Toxicity":"","MechanismOfAction":"LC16m8 is produced in cell culture from vaccinia\r\nvirus that has been attenuated, or modified, so that it can initiate an immune response without causing serious adverse side effects. \r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05020","Name":"ANA380","DrugType":"small molecule","HalfLife":"","Description":"ANA380 is a small-molecule orally available inhibitor of the HBV polymerase. The HBV polymerase is the enzyme that catalyzes the production of new RNA from the existing strand of RNA. ANA380 is believed to inhibit viral proliferation by interrupting the replicating machinery of the virus.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, B).","Toxicity":"","MechanismOfAction":"ANA380 is an inhibitor of the HBV polymerase. It is believed to inhibit viral proliferation by interrupting the replicating machinery of the virus.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05021","Name":"EMZ702","DrugType":"small molecule","HalfLife":"","Description":"EMZ702, a non-toxic agent that has strong anti-viral synergy with interferon, is an ideal candidate for combination with current standard hepatitis C treatments. EMZ702 has an excellent safety profile and the combination of EMZ702 with interferon and ribavirin in surrogate models for hepatitis C has demonstrated a two to three fold increase in anti-viral potency compared to interferon and ribavirin alone.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05022","Name":"Amonafide","DrugType":"small molecule","HalfLife":"","Description":"Amonafide is a substance that is being studied in the treatment of cancer. It belongs to the families of drugs called topoisomerase inhibitors and intercalating agents.","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"Investigated for use/treatment in breast cancer, ovarian cancer, and prostate cancer.","Toxicity":"","MechanismOfAction":"Amonafide is a DNA intercalating agent and inhibitor of topoisomerase II that has been extensively studied in patients with malignant solid tumors. Amonafide has also been studied in patients with AML.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05023","Name":"ATL1101","DrugType":"small molecule","HalfLife":"","Description":"ATL1101 is a second-generation antisense drug designed to block the synthesis of the IGF-1 receptor, a protein involved in the regulation of cell overgrowth in psoriasis. ATL1101 is being developed as a cream for the topical treatment of mild to moderate cases of psoriasis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"ATL1101 is an antisense compound targeting Insulin-like Growth Factor-I Receptor, or IGF-1R. Researchers believe that IGF-1R plays a pivotal role in the regulation of cell growth in psoriasis. Study shows that antisense molecules successfully inhibit production of IGF-1R and normalize the skin architecture in human psoriasis skin samples grafted onto mice.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05024","Name":"CTA018","DrugType":"small molecule","HalfLife":"","Description":"CTA018 is a member of a new class of vitamin D analogues with a dual mechanism of action, called Vitamin D Signal Amplifiers. This proprietary new drug is both a potent inhibitor of CYP24 (the enzyme responsible for the breakdown of vitamin D) and a potent activator of vitamin D signaling pathways. CTA018 will be the first drug with this novel dual mechanism of action to enter clinical development. Preclinical studies have shown that CTA018 inhibits the proliferation of rapidly dividing cells such as human epidermal keratinocytes (skin cells) and is also effective in inhibiting pro-inflammatory cytokine secretion which may be involved in the etiology of psoriasis. Cytochroma anticipates that CTA018 will be more potent than currently marketed vitamin D analogues such as calcitriol and calcipotriol and it is expected to have a greater safety index.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in kidney disease and psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"CTA018 is a rationally designed Vitamin D hormone analog that acts as both a potent VDR agonist and CYP24 inhibitor. The Company believes this dual mechanism of action will provide efficacy and safety advantages over existing Vitamin D hormone replacement therapies for SHPT. CTA018 binds to the VDR located in parathyroid cells and triggers a genomic cascade of events resulting in suppression of PTH secretion. It also binds to the substrate binding pocket of CYP24, a cytochrome P450 enzyme that specifically and efficiently catabolizes Vitamin D hormones. By binding to CYP24 and blocking its activity, CTA018 levels in cells are more readily raised to therapeutic levels. Unlike common cytochrome P450 inhibitors (such as ketoconazole) which act non-specifically on all cytochromes, CTA018 specifically targets CYP24, making drug-drug interactions far less likely. The Company believes the novel dual activity of CTA018 will reduce the incidence of clinically-acquired resistance to Vitamin D hormone replacement therapy, allowing greatly improved efficacy at well tolerated dosages.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05025","Name":"Arimoclomol","DrugType":"small molecule","HalfLife":"","Description":"Arimoclomol is an experimental drug compound developed by CytRx Corporation, a biopharmaceutical company based in Los Angeles, California. The orally administered drug is intended to treat amyotrophic lateral sclerosis (ALS), also known as Lou Gehrig's disease, a neurodegenerative disease with no effective treatment.","Classification":{"Description":"This compound belongs to the pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.","DirectParent":"Pyridinium Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinium Derivatives"},"Indication":"Investigated for use/treatment in amyotrophic lateral sclerosis (ALS), diabetes mellitus type 2, neurologic disorders, and neuropathy (diabetic).","Toxicity":"R Upregulation of heat shock proteins rescues motoneurones from axotomy-induced cell death in neonatal rats. Exp Neurol","MechanismOfAction":"Arimoclomol is designed to stimulate a natural cellular repair pathway by activating compounds called “molecular chaperones.” Arimoclomol uses a unique 'molecular chaperone' co-induction mechanism. The small molecule drug candidate is believed to function by stimulating a normal cellular protein repair pathway through the activation of \"molecular chaperones.\" Since damaged proteins called aggregates are thought to play a role in many diseases, CytRx believes that activation of molecular chaperones could have therapeutic efficacy for a broad range of diseases.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05026","Name":"APD125","DrugType":"small molecule","HalfLife":"","Description":"APD125, an orally active compound, is developed for the treatment of insomnia. It is a highly selective antagonist at the 5-HT2A serotonin receptor. It increases non-REM sleep, the most restorative phase of the sleep cycle, without sacrificing REM or dream sleep.\r\nAPD125 works through a mechanism of action that is different from currently marketed drugs.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in insomnia and sleep disorders.","Toxicity":"","MechanismOfAction":"APD125 potently and selectively targets the 5-HT2A serotonin receptor, blocking a stimulatory pathway of the central nervous system. This mechanism is not expected to have the side effects of the GABA-A treatments.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05027","Name":"DG041","DrugType":"small molecule","HalfLife":"","Description":"DG041 is a novel, first-in-class, orally-administered small molecule developmented for the prevention of arterial thrombosis and its complications. \r\nDG041, an anti-platelet compound, has shown to be a selective and potent antagonist of the EP3 receptor for prostaglandins E2. EP3 is a target that associates with increased risk of various vascular diseases. It block the formation of blood clots mediated through inflammation in atherosclerotic plaques but without increasing bleeding risk.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in peripheral vascular disease.","Toxicity":"","MechanismOfAction":"DG041 is an antagonist of the EP3 receptor for prostaglandins E2 - a receptor involved in peripheral artery disease (PAD). DG041 produces concentration-dependent inhibition of one of the platelet activation pathways and reduces platelet aggregation without increasing bleeding time.\r\nStudies have shown that DG041 dramatically inhibits platelet activation mediated through VASP as well as platelet aggregation. DG041 also reduced levels of another indicator of platelet activation, p-selectin, and several markers of inflammation -- c-reactive protein (CRP), monocyte chemotactic protein 1 (MCP1), and soluble intracellular adhesion molecule (sICAM) -- in a dose-dependent manner.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05028","Name":"Microplasmin","DrugType":"small molecule","HalfLife":"4 seconds","Description":"Microplasmin is a truncated form of plasmin bound by alpha-2-antiplasmin. It is an enzyme that dissolves protein formations that are crucial to blood clot (thrombus) formation; similar protein formations are seen linking the vitreous to the retina in the eye. Microplasmin is a novel neuroprotective thrombolytic agent for the treatment of ischemic stroke.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in eye disorders/infections and strokes.","Toxicity":"","MechanismOfAction":"Microplasmin is a direct acting thrombolytic as compared to most other thrombolytics which dissolve clots indirectly by activating the plasmin precursor, plasminogen (plasminogen activators - PAs). Microplasmin dissolves blood clots without the need for free plasminogen in the circulation. It dissolves blood clots by digesting fibrins. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05029","Name":"Duramycin","DrugType":"small molecule","HalfLife":"","Description":"Duramycin, a peptide antibiotic, is in clinical development for the treatment of cystic fibrosis. Duramycin is a 19-amino-acid tetracyclic peptide produced by Streptoverticillium cinnamoneus and is closely related to cinnamycin (Ro09-0198). It belongs to the lantibiotics. Lantibiotics are bacteriocins that are characterized by the presence of a high proportion of unusual amino acids.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cystic fibrosis and eye disorders/infections.","Toxicity":"","MechanismOfAction":"Duramycin becomes deposited in cellular membranes where it binds to phosphatidylethanolamine. It may thereby change biophysical membrane properties and perturb ion channel function.\r\nDuramycin stimulates secretion of electrically charged atoms (ions) of chloride from epithelial cells in the lungs. Increased chloride secretion is accompanied by obligatory increase in water secretion from same cells. This may prevent the thickening of lung secretions and prevent further mucus build up and its progressive contribution to lung tissue damage.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05030","Name":"XL880","DrugType":"small molecule","HalfLife":"","Description":"XL880 is an orally available small molecule compound designed to target multiple RTKs implicated in the development, progression and spread of cancer. It inhibits the activation of MET, RON, ERK and AKT, decreased proliferation and increased apoptosis. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in gastric cancer, renal cell carcinoma, and solid tumors.","Toxicity":"","MechanismOfAction":"Activation of MET by mutation is the causative factor in an inherited kidney cancer syndrome, hereditary papilliary renal cell carcinaoma. Mutational activation of MET has also been found in sporadic kidney cancer, lung carcinomas and head and neck carcinomas. MET is a key driver of tumor cell growth, motility, invasion, metastasis and angiogenesis. XL880 has attractive pharmaceutical properties with high solubility and oral bioavailability and demonstrates nanomolar potency against its targets, VEGFR, MET, which translates to potent activity in cellular assays. In preclinical studies, XL880, deveopled as a balanced inhibitor of these receptor tyrosine kinases, potently inhibited both MET and VEGFR, including mutant activated forms of MET found in hereditary papillary renal carcinomas. The compound also demonstrated dose-dependent growth inhibition in tumor models of breast, colorectal, non-small cell lung cancer and glioblastoma and has been shown to cause substantial tumor regression in all models tested.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05031","Name":"XP19986","DrugType":"small molecule","HalfLife":"","Description":"XP19986 is in clinical development for the potential treatment of GERD, and is also a potential treatment for the symptoms of spasticity. XP19986 is a Transported Prodrug of the R-isomer of baclofen. Baclofen is a generic drug that is currently approved to treat spasticity and has been shown in investigator-led studies to be effective in the treatment of GERD. XP19986 is designed to overcome the deficiencies of baclofen by targeting high-capacity nutrient transporter mechanisms expressed throughout the length of the entire GI tract, including the colon.\r\nXP19986 is well absorbed and rapidly converted to the R-isomer of baclofen.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in gastroesophageal reflux disease (GERD).","Toxicity":"","MechanismOfAction":"XP19986 is new chemical entity that is a Transported Prodrug of R-baclofen with a covalently attached nutrient-mimic moiety that results in high-capacity absorption through GI tract and enables a sustained-release formation. XP19986 is designed to engage natural transport mechanisms found on intestinal cell membranes, thereby gaining efficient entrance into the bloodstream. XP19986 is then rapidly converted to R-baclofen by high capacity enzymes. In addition to R-baclofen, the metabolic breakdown products of XP19986 are natural substances with favorable safety characteristics. By targeting high-capacity nutrient transporter mechanisms that exist throughout the length of the entire gastrointestinal tract, XenoPort believes that XP19986 can be formulated in a sustained-release pill to provide improved therapy.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05032","Name":"REV131","DrugType":"small molecule","HalfLife":"Approximately 8 hours","Description":"rEV131 is in development for allergic rhinitis, asthma and several inflammatory eye diseases. It is a topically delivered small protein that acts as an anti-inflammatory agent.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in allergic reaction, allergic rhinitis, and cataracts.","Toxicity":"","MechanismOfAction":"rEV131 is smaller than therapeutic antibodies and its compact structure gives good bioavailablity by a number of routes including: injected, inhaled, intraperitoneal, topical (ocular and nasal). The molecule is thermo-stable and can be stored in solution for more than 18 months at room temperature without significant loss of activity. This is an attractive feature for a protein drug candidate.\r\n\r\nrEV131 is a novel histamine binding protein that modulates the immediate inflammatory response largely caused by the release of pre-formed histamine from mast cells in the skin. This molecule binds histamine at two active sites, one of which has an affinity for histamine 10 - 100 times higher than any known histamine receptor. This enables rEV131 to out compete the body's natural receptors and prevent histamine from reaching and activating them.\r\n\r\nThere are at least four different natural histamine receptors. The most recently discovered H4 receptor, was described in 2001, and appears to be involved in the late phase inflammatory process. rEV131 is understood to be the only drug candidate in clinical development, which prevents activation of the H4 receptor.\r\n\r\nrEV131 has demonstrated activity against both early and late phase inflammation in clinical and preclinical studies. This differentiates it from approved treatments: anti-histamines used in early phase inflammation and corticosteroid therapies, which are used predominantly in late phase inflammation. A favourable safety profile and a variety of delivery routes provide additional potential advantages for rEV131 over existing therapies.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05033","Name":"INCB7839","DrugType":"small molecule","HalfLife":"","Description":"INCB7839 is a novel, orally available ADAM metalloprotease inhibitor that is designed to block activation of the epidermal growth factor (EGFR) pathways. It represents a potentially important new class of targeted breast cancer therapy. It has shown promising clinical activity in heavily pretreated, refractory breast cancer patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer.","Toxicity":"","MechanismOfAction":"INCB7839 is a novel, orally available ADAM metalloprotease inhibitor that is designed to block activation of the epidermal growth factor (EGFR) pathways. Currently approved therapies that target the EGFR pathways have shown promising efficacy in metastatic disease, validating these pathways as targets; however, efficacy may be limited due to the fact that these drugs inhibit only one or two of the four HER receptor pathways. In contrast, the sheddase inhibitor, INCB7839, has the potential to inhibit activation through all four of the HER receptors, resulting in more complete inhibition of these pathways.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05034","Name":"Ularitide","DrugType":"small molecule","HalfLife":"","Description":"Ularitide is a synthetic form of urodilatin, a naturally occurring human natriuretic peptide that is involved in regulating blood pressure and the excretion of water and sodium from the kidneys. Urodilatin is produced in the kidney and excreted into the urine, and thus exists in low levels naturally in the systemic blood circulation. When injected into the blood, ularitide appears to cause diuresis (urine output) and natriuresis (sodium excretion), as well as vasodilation. \r\nUlaritide is currently in Phase 2 development as a potential treatment for patients with acute decompensated heart failure (ADHF).","Classification":{"Description":"This compound belongs to the peptidomimetics. These are compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide.","DirectParent":"Peptidomimetics","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in congestive heart failure.","Toxicity":"","MechanismOfAction":"Ularitide, a synthetic form of urodilatin, belongs to the family of natriuretic peptides. Urodilatin stimulates the intracellular guanylyl cyclase as the intracellular domain of the natriuretic peptide receptor A (NPR-A), the enzyme that catalyzes the conversion of GTP to cGMP [7]. Activation of cGMP-dependent protein kinase inhibits sodium reabsorption via an amiloride-sensitive channel and furthermore results in smooth muscle relaxation via a decrease in intracellular Ca2+ concentration. Thus, ularitide is an intrarenal paracrine regulator of sodium and water homeostasis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05035","Name":"KB2115","DrugType":"small molecule","HalfLife":"","Description":"KB2115 which is a compound with promising properties for treatment of obesity and dyslipidemia. KB2115 increases the body’s energy consumption and reduces body weight and markedly reduces blood lipids and blood glucose.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hyperlipidemia, metabolic disease, and obesity.","Toxicity":"","MechanismOfAction":"KB2115 works by selectively stimulating the thyroid hormone\r\nreceptor which is the protein in the body that mediates the effects of thyroid hormone. KB2115 has receptor and tissue selective properties and thereby negative effects on the heart can be avoided.","Pharmacodynamics":"KB2115 is liver selectuve TR agonist that can induce pharmacological effects in the liver. It increases energy consumption, reduces body weight and also markedly reduces blood lipids and blood glucose levels at doses not affecting heart rate, bone density or TSH levels.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05036","Name":"Grn163l","DrugType":"small molecule","HalfLife":"","Description":"GRN163L is a novel anti-cancer drug. It has been characterized preclinically and shown to inhibit telomerase in human tumor cells of many cancer types (including lung, breast, prostate, liver, and early stage of human breast cancer), in both cell culture systems and animal models. Study of this drug shows the its potential utility in the treatment of patients with hematologic and solid tumor malignancies.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in leukemia (lymphoid) and solid tumors.","Toxicity":"","MechanismOfAction":"GRN163L has been characterized preclinically and shown to inhibit telomerase in human tumor cells of many cancer types. It targets the template region, or active site, of telomerase. GRN163L does not exhibit antisense activity (binding to messenger RNA), but rather directly bind to the RNA component of telomerase at the active site of the enzyme, thereby acting like a conventional pharmaceutical drug. Inhibiting telomerase activity should result in telomere shortening and therefore cause aging and death of cancer cells. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05037","Name":"AT7519","DrugType":"small molecule","HalfLife":"","Description":"AT7519 is a selective inhibitor of certain Cyclin Dependent Kinases (CDKs) leading to tumour regression. It is developed by Astex for the treatment of solid tumours and haematological malignancies.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in leukemia (unspecified), lymphoma (unspecified), myelodysplastic syndrome, and solid tumors.","Toxicity":"","MechanismOfAction":"AT7519 is a selective inhibitor of certain Cyclin Dependent Kinases (CDKs) leading to tumour regression.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05038","Name":"Anatibant","DrugType":"small molecule","HalfLife":"","Description":"Anatibant is a selective, very potent, small-molecule Bradykinin B2 receptor antagonist. It is developed for the for the treatment of traumatic brain injury (TBI).","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in traumatic brain injuries.","Toxicity":"","MechanismOfAction":"Anatibant is a new potent and selective non-peptide antagonist of the bradyknin B2 receptor. Anatibant crosses the blood brain barrier, reduces brain edema formation and brain damage, and improves neurological function following experimental traumatic brain injury. The underlying mechanisms are still not well understood. So far bradykinin B2 receptor-mediated neuroprotection was mainly explained by the reduction of vascular permeability and subsequent reduction of post-ischemic or post-traumatic brain edema. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05039","Name":"Indacaterol","DrugType":"small molecule","HalfLife":"Indacaterol serum concentrations declined in a multi-phasic manner with an average terminal half-life ranging from 45.5 to 126 hours. The effective half-life, calculated from the accumulation of indacaterol after repeated dosing with once daily doses between 75 mcg and 600 mcg ranged from 40 to 56 hours which is consistent with the observed time-to-steady state of approximately 12-15 days.","Description":"Indacaterol is a novel, ultra-long-acting, rapid onset β(2)-adrenoceptor agonist developed for Novartis for the once-daily management of asthma and chronic obstructive pulmonary disease. It was approved by the European Medicines Agency (EMA) under the trade name Onbrez on November 30, 2009, and by the United States Food and Drug Administration (FDA), under the trade name Arcapta Neohaler, on July 1, 2011. Indacaterol is provided as its maleate salt form. Indacaterol is also a chiral molecule but only the pure R-enantiomer is dispensed. ","Classification":{"Description":"This compound belongs to the hydroxyquinolones. These are compounds containing a quinoline moiety bearing an hydroxyl group and a ketone.","DirectParent":"Hydroxyquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"For the long term, once-daily-dosing maintenance of airflow obstruction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and/or emphysema.\r\n","Toxicity":"The expected signs and symptoms associated with overdosage of indacaterol are those of excessive beta-adrenergic stimulation and occurrence or exaggeration of any of the signs and symptoms, e.g., angina, hypertension or hypotension, tachycardia, with rates up to 200 bpm, arrhythmias, nervousness, headache, tremor, dry mouth, palpitation, muscle cramps, nausea, dizziness, fatigue, malaise, hypokalemia, hyperglycemia, metabolic acidosis and insomnia. As with all inhaled sympathomimetic medications, cardiac arrest and even death may be associated with an overdose of indacaterol.\r\n","MechanismOfAction":"Indacaterol works by stimulating adrenergic beta-2 receptors in the smooth muscle of the airways. This causes relaxation of the muscle, thereby increasing the diameter of the airways, which become constricted in asthma and COPD. It is also long acting due to its high affinity to the lipid raft domains in the airway membrane so it slowly dissociates from the receptors. Indacaterol also has a high intrinsic efficacy so it is also very rapid acting - onset of action occurs within 5 minutes. \r\n\r\nThe pharmacological effects of beta2-adrenoceptor agonist drugs, including indacaterol, are at least in part attributable to stimulation of intracellular adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic-3’, 5’-adenosine monophosphate (cyclic monophosphate). Increased cyclic AMP levels cause relaxation of bronchial smooth muscle. In vitro studies have shown that indacaterol has more than 24-fold greater agonist activity at beta2-receptors compared to beta1-receptors and 20-fold greater agonist activity compared to beta3-receptors. This selectivity profile is similar to formoterol. The clinical significance of these findings is unknown.","Pharmacodynamics":"Bronchodilator drugs are the foundation for the treatment of chronic obstructive pulmonary disease. The principal inhaled bronchodilator treatments used are β(2) -agonists and anticholinergics, either alone or in combination. Currently available β(2) -agonists are of either short duration and used multiple times/day, or of long duration, which requires twice-daily administration. Indacaterol is considered an ultra-long-acting β(2) -agonist and was recently approved for use in the United States. Its duration of action is approximately 24 hours, allowing for once-daily administration. Furthermore, this chiral compound it is given as the R-enantiomer and acts as a full agonist. Cough was the most commonly reported adverse effect with use of indacaterol. Compared to salmeterol, it has 35% more agonist activity. Cough usually occurred within 15 seconds of inhalation of the drug, lasted around 6 seconds, was not associated with bronchospasm, and did not cause discontinuation of the drug. Otherwise, the drug's safety profile was similar to that of other bronchodilators. [PMID: 22499359]","Absorption":"The median time to reach peak serum concentrations of indacaterol was approximately 15 minutes after single or repeated inhaled doses. Absolute bioavailability of indacaterol after an inhaled dose was on average 43-45%.","Interactions":[{"ID":"DB01193"},{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB06216"},{"ID":"DB00335"},{"ID":"DB01408"},{"ID":"DB00443"},{"ID":"DB00612"},{"ID":"DB00310"},{"ID":"DB00924"},{"ID":"DB01151"},{"ID":"DB00199"},{"ID":"DB00903"},{"ID":"DB00983"},{"ID":"DB00695"},{"ID":"DB00502"},{"ID":"DB00999"},{"ID":"DB00741"},{"ID":"DB01026"},{"ID":"DB00904"},{"ID":"DB00635"},{"ID":"DB00571"},{"ID":"DB00503"},{"ID":"DB00938"},{"ID":"DB00661"}],"Salts":[{"ID":"DBSALT000101","Name":"Indacaterol Maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB05040","Name":"MVA3000","DrugType":"biotech","HalfLife":"","Description":"MVA3000 is an attenuated smallpox vaccine that is being developed for use in people for whom the traditional smallpox vaccine is contraindicated, such as patients with disorders of the immune system or skin conditions such as eczema.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in viral infection.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05041","Name":"RP101","DrugType":"small molecule","HalfLife":"","Description":"RP101 is targeted at preventing tumor cells from developing resistance to chemotherapy, one of the most challenging areas facing oncologists. RP101 would be used as a co-treatment with cytostatic drugs to give a broader range of chemotherapy treatment options, thereby extending survival periods and improving quality of life for the cancer patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy), chemotherapy, and pancreatic cancer.","Toxicity":"","MechanismOfAction":"RP101 down-regulated uridine phosphorylase, a marker of poor prognosis, and APEX1, which is involved in DNA repair, and repressed Stat-3 and its target VEGF. Furthermore, RP101 activated antitumor immunity.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05042","Name":"SGS518","DrugType":"small molecule","HalfLife":"","Description":"SGS518, a novel antagonist for the 5HT6 subtype of the serotonin receptor, is being developed as a treatment for Cognitive Impairment Associated with Schizophrenia (CIAS).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in neurologic disorders and schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"SGS518 is a selective antagonist of the 5-Hydroxytryptamine-6 (5-HT6) serotonin receptor believed to act by enhancing transmission of chemicals in the brain. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05043","Name":"GSK159797","DrugType":"small molecule","HalfLife":"","Description":"GSK159797 ('797) is an inhaled, longer-acting Beta2 agonist developed for the treatment of respiratory disease such as asthma and COPD.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma and chronic obstructive pulmonary disease (COPD).","Toxicity":"","MechanismOfAction":"GSK159797 is a longer-acting beta-2 adrenoceptor agonist. It acts on the beta2-adrenergic receptor, thereby causing smooth muscle relaxation resulting in dilation of bronchial passages.","Pharmacodynamics":"GSK159797 is a Beta2 agonist. It works by relaxing the muscles that line the bronchial airways, allowing the capacity of the airways to expand (known as bronchodilation), leading to the relief and/or prevention of many of the symptoms of asthma and COPD.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05044","Name":"PSN357","DrugType":"small molecule","HalfLife":"","Description":"PSN357 is a glycogen phosphorylase inhibitor (GPI), which is designed to rapidly lower blood glucose levels by preventing glycogen breakdown to glucose in the liver.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"Psn357 is a novel glycogen phosphorylase inhibitor. It reduces night-time systemic glucose levels by reducing the hepatic glucose output that is thought to play a major role in the pathophysiology of type 2 diabetics.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05045","Name":"TM30338","DrugType":"small molecule","HalfLife":"","Description":"TM30338 is a synthetic analogue of two natural human hormones, PYY and Pancreatic Polypeptide, which normally are released during a meal. These hormones are known to play a role in the regulation of food intake and appetite in man as satiety signal from the GI-tract to the CNS. In TM30338, the properties of both of these hormones have been implanted into a single molecule.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in obesity.","Toxicity":"","MechanismOfAction":"TM30338 is a first-in-class compound, which in a single\r\ndrug targets both the Y2 and the Y4 receptor with similar and very high potency. The Y2 and the Y4 receptors have both previously been validated in man as independent appetite suppressive drug targets through the use of the natural hormones. In pre-clinical studies in diet-induced obese animals the dual active TM30338 has demonstrated clear superiority in respect of long term reduction in body weight\r\nreduction as compared, for example, to the natural hormone PYY3-36, which only targets the Y2 receptor. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05046","Name":"V1003","DrugType":"small molecule","HalfLife":"","Description":"V1003 is an intranasal formulation of buprenorphine, an opiate analgesic, for the management of post-operative pain in hospital and home settings. Buprenorphine is a well-known analgesic and the intranasal formulation has the potential to provide a convenient alternative to other treatments, allowing patients to manage their post-operative pain both prior to discharge from hospital and at home during their recovery period.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"V1003 is an intranasal formulation of buprenorphine. Buprenorphine's analgesic effect is due to partial agonist activity at mu-opioid receptors. Buprenorphine is also a kappa-opioid receptor antagonist. The partial agonist activity means that opioid receptor antagonists (e.g., an antidote such as naloxone) only partially reverse the effects of buprenorphine. The binding to the mu and kappa receptors results in hyperpolarization and reduced neuronal excitability.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05047","Name":"CX717","DrugType":"small molecule","HalfLife":"","Description":"CX717 is an ampakine compound created by Dr. Gary Lynch at UCI in 1993 and further developed by Cortex Pharmaceuticals, an Irvine company created to explore possible applications. It is one of a class of synthetic compounds that amplify the signal of glutamate, a neurotransmitter important for learning and memory.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"April 18 2007 Cortex Pharmaceuticals submitted two large data packages to the FDA regarding CX717. One data set went to the FDA's Division of Neurology Drug Products for the treatment of Alzheimer's disease, while the other went to the Division of Psychiatry Products where the company intends to file a second CX717 IND for the treatment of ADHD. The submitted data package provides clear evidence that the specific histopathological changes seen in animal toxicology studies, which previously caused the FDA to put CX717 on clinical hold, is a postmortem fixation artifact and is not found in the tissue of the animal when it is still living.","Toxicity":"","MechanismOfAction":"CX717 is an ampakine compound. It is a positive allosteric modulator of AMPA receptors. It's action is theorized to be due to facilitation of transmission at cortical synapses that use glutamate as neurotransmitter. This in turn may promote plasticity at the synapse, which could translate into better cognitive performance.\r\nCX717 works by allosterically binding to particular receptors in the brain, called AMPA-type glutamate receptors. This boosts the activity of glutamate, a neurotransmitter, and makes it easier to encode memory and to learn. In addition, CX717 could potentially strongly impact the up-regulation of BDNF (brain-derived neurotrophic factor) or NGF (nerve growth factor), two growth factors known to stimulate formation of new circuitry in the brain associated with forming memory and cognition.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"illicit":true,"investigational":true},"Pathways":null},{"ID":"DB05048","Name":"Cannabinor","DrugType":"small molecule","HalfLife":"","Description":"Cannabinor a synthetic CB2-selective agonist, is in Phase 2 clinical testing as an analgesic.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"CB2 agonists bind to CB2 receptors, which are located on immune and inflammatory cells. By activating CB2 receptors, CB2 agonists inhibit autoimmune and inflammatory processes and are likely to be useful for treating pain, autoimmune and inflammatory disorders. Pharmos is developing its CB2 agonists as treatments for chronic pain and autoimmune diseases such as multiple sclerosis and rheumatoid arthritis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05049","Name":"DDP733","DrugType":"small molecule","HalfLife":"","Description":"DDP733 is an oral prokinetic drug which Dynogen is developing as a treatment for both Irritable Bowel Syndrome with constipation (IBS-c) and nocturnal gastroesophageal reflux disease (NGERD). It is a partial agonist of the serotonin type 3 receptor (5-HT3). Serotonin is a neurotransmitter that is known to be involved in the control of the gastrointestinal (GI) system. Preclinical studies of DDP733 established the compound’s prokinetic properties (the ability to promote the motility of the GI tract).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in constipation, gastroesophageal reflux disease (GERD), gastrointestinal diseases and disorders (miscellaneous), and irritable bowel syndrome (IBS).","Toxicity":"","MechanismOfAction":"DDP733 is an agonist of 5-HT3 receptors, a specific sub-type of serotonin receptor. Serotonin, a neurotransmitter, is believed to play an important role in the regulation of gastrointestinal motility.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05050","Name":"ADL5859","DrugType":"small molecule","HalfLife":"","Description":"ADL5859 is a novel, oral compound that targets the Delta opioid receptor. Delta receptor agonists are thought to offer benefits over other approaches to the management of pain.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"ADL5859 is a novel, oral compound that targets the Delta opioid receptor. Delta receptor agonists are thought to offer benefits over other approaches to the management of pain.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05051","Name":"BZL101","DrugType":"small molecule","HalfLife":"","Description":"BZL101 is an oral drug designed for the treatment of advanced breast cancer with a novel mechanism of action. BZL101 targets diseased cells while leaving normal cells healthy and intact.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer.","Toxicity":"","MechanismOfAction":"BZL101 works by eliciting a cancer cell’s innate mechanism of self-suicide or apoptosis. The drug selectively releases Apoptosis Inducing Factor-1 (AIF1) from a cancer cell’s mitochondrial membrane. AIF then moves to the cell’s nucleus, disintegrating the DNA structure, and fragmenting and killing the cancer cell.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05052","Name":"MF101","DrugType":"small molecule","HalfLife":"","Description":"MF101 is a novel estrogen receptor beta (ERβ) selective agonist and unlike currently available hormone therapies, does not activate the estrogen receptor alpha (ERα), known to be implicated in tumor formation. MF101 is an oral drug designed for the treatment of hot flashes and night sweats in peri-menopausal and menopausal women.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hormone replacement therapy: menopause and menopause.","Toxicity":"","MechanismOfAction":"MF101 promoted ERbeta, but not ERalpha, activation of an estrogen response element (ERE) upstream of the luciferase reporter gene. MF101 also selectively regulates transcription of endogenous genes through ERbeta. The ERbeta-selectivity was not due to differential binding, since MF101 binds equally to ERalpha and ERbeta. Fluorescence resonance energy transfer and protease digestion studies showed that MF101 produces a different conformation in ERalpha from ERbeta, when compared with the conformations produced by estradiol. The specific conformational change induced by MF101 allows ERbeta to bind to an ERE and recruit coregulatory proteins that are required for gene activation. MF101 did not activate the ERalpha-regulated proliferative genes, c-myc and cyclin D1, or stimulate MCF-7 breast cancer cell proliferation or tumor formation in a mouse xenograft model.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05053","Name":"MB07803","DrugType":"small molecule","HalfLife":"","Description":"MB07803 is a second generation gluconeogenesis inhibitor for the treatment of type 2 diabetes. It is designed to block the metabolic pathway in the liver that is responsible for producing glucose.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"MB07803 is a selective inhibitor of fructose-1, 6-bisphosphatase (FBPase), a regulatory enzyme in the pathway responsible for the production of glucose in the liver, known as the gluconeogenesis pathway. By specifically inhibiting this pathway, liver glucose production should be reduced and blood sugar levels decreased in patients with diabetes, independent of insulin levels and body weight. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05054","Name":"AN0128","DrugType":"small molecule","HalfLife":"","Description":"AN0128 is a novel compound that contains a boron atom within a borinic acid complex. AN0128 has broad spectrum activity against a wide variety of Gram positive\r\nbacteria, including many that are known skin colonizers. Of particular importance is P. acnes and its causal role in acne vulgaris. The rise in antibiotic\r\nresistance of P. acnes to standard antibiotics necessitates the development of new treatment agents. AN0128 is a good candidate for a topical antibiotic and is currently being developed by Anacor as a novel therapeutic for acne and atopic dermatitis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in acne, atopic dermatitis, pediatric indications, and psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"AN0128 inhibits the release of pro-inflammatory cytokines, including TNF- alpha, without affecting the normal immune response.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05055","Name":"RG2417","DrugType":"small molecule","HalfLife":"","Description":"RG2417 is a proprietary formulation of uridine, a biological compound essential for the synthesis of DNA and RNA, the basic hereditary material found in all cells, and numerous other factors essential for cell metabolism. Uridine is synthesized by the mitochondria, the power plant of the human cell responsible for energy metabolism. The rationale for uridine therapy in neuropsychiatric disorders is supported by preclinical and clinical research. Recent reports indicate that certain genes that encode for mitochondrial proteins are significantly down regulated in the brains of bipolar patients. This new insight suggests that the symptoms of bipolar disorder may be linked to dysregulation of energy metabolism of the brain. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bipolar disorders and manic disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05056","Name":"EGS21","DrugType":"small molecule","HalfLife":"","Description":"EGS21(TM) is a beta-D-glucosylceramide (GC) compound. It is a potential therapeutic for treating immune mediated disorders. GC is a glycolipid that has been shown by Enzo scientists and collaborators to act as an anti-inflammatory agent in animal model systems, and therefore is being evaluated as an important candidate drug in the treatment of various immune mediated diseases, such as Crohn's disease, hepatitis, non-alcoholic steatohepatitis (NASH) or fatty liver and HIV.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in crohn's disease, hepatitis (unspecified), and liver disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05057","Name":"Erdosteine","DrugType":"small molecule","HalfLife":"","Description":"Erdosteine is a mucolytic. Erdosteine is a thiol derivative developed for the treatment of chronic obstructive bronchitis, including acute infective exacerbation of chronic bronchitis. Erdosteine contains 2 blocked sulfhydryl groups which are released following first-pass metabolism. The 3 active metabolites exhibit mucolytic and free radical scavenging activity. Erdosteine modulates mucus production and viscosity and increases mucociliary transport, thereby improving expectoration. It also exhibits inhibitory activity against the effects of free radicals produced by cigarette smoke. Clinical studies in patients with chronic obstructive lung disease have demonstrated the efficacy and tolerability of erdosteine. Erdosteine 300mg twice daily reduced cough (both frequency and severity) and sputum viscosity more quickly and more effectively than placebo and reduced the adhesivity of sputum more effectively than ambroxol 30mg twice daily. Co-administration of erdosteine and amoxicillin in patients with acute infective exacerbation of chronic bronchitis resulted in higher concentrations of the antibiotic in the sputum, leading to earlier and more pronounced amelioration of clinical symptoms compared with placebo. Erdosteine is associated with a low incidence of adverse events, most of which are gastrointestinal and generally mild.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Fro the treatment of chronic bronchitis in adults.","Toxicity":"","MechanismOfAction":"Erdosteine, an orally mucolytic agent. Erdosteine is a thiol derivative developed for the treatment of chronic obstructive bronchitis, including acute infective exacerbation of chronic bronchitis. Erdosteine contains 2 blocked sulfhydryl groups which are released following first-pass metabolism. The 3 active metabolites exhibit mucolytic and free radical scavenging activity. Erdosteine modulates mucus production and viscosity and increases mucociliary transport, thereby improving expectoration. It also exhibits inhibitory activity against the effects of free radicals produced by cigarette smoke. Clinical studies in patients with chronic obstructive lung disease have demonstrated the efficacy and tolerability of erdosteine. Erdosteine 300mg twice daily reduced cough (both frequency and severity) and sputum viscosity more quickly and more effectively than placebo and reduced the adhesivity of sputum more effectively than ambroxol 30mg twice daily. Co-administration of erdosteine and amoxicillin in patients with acute infective exacerbation of chronic bronchitis resulted in higher concentrations of the antibiotic in the sputum, leading to earlier and more pronounced amelioration of clinical symptoms compared with placebo. Erdosteine is associated with a low incidence of adverse events, most of which are gastrointestinal and generally mild.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05058","Name":"AN2690","DrugType":"small molecule","HalfLife":"","Description":"AN2690, a potent antifungal, is developed for the topical treatment of onychomycosis, a fungal infection of the nail and nail bed.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of onychomycosis, a fungal infection of the nail and nail bed.","Toxicity":"","MechanismOfAction":"AN2690 has a novel mechanism of action that targets an essential protein synthesis enzyme, leucyl-transfer RNA synthetase, or LeuRS. This enzyme plays a pivotal role in fungal protein synthesis. The inhibition of protein synthesis leads to termination of cell growth or cell death, eliminating the fungal infection.","Pharmacodynamics":"","Absorption":"7.5%","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05059","Name":"ILY101","DrugType":"small molecule","HalfLife":"","Description":"ILY101 is a metal-free, non-absorbed polymeric drug designed for the selective binding and removal of phosphate anions from the gastrointestinal tract. ILY101 is being developed for the treatment of hyperphosphatemia in CKD patients on dialysis and works by reducing the systemic absorption of dietary phosphate. ILY101 is designed to allow for lower daily doses and improved patient acceptance and tolerability in comparison to other products in this class of drugs.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in kidney disease.","Toxicity":"","MechanismOfAction":"ILY101 binds dietary phosphate in the gastrointestinal tract, facilitating excretion of phosphorus into feces. It is therefore anticipated to ameliorate hyperphosphatemia\r\nby reducing the absorption of dietary phosphate. Due to its low swelling rate after fluid absorption, less gastrointestinal adverse events, including constipation, flatulence and upper abdominal pain, are expected. Strong phosphorus binding capacity may result in the reduced number of tablets and improved compliance.\r\n\r\n\r\n","Pharmacodynamics":"","Absorption":"Nonabsorbable","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05060","Name":"R1626","DrugType":"small molecule","HalfLife":"","Description":"R1626 is one of a new class of hepatitis C therapies called polymerase inhibitors. It achieves significant reductions in viral load in chronic hepatitis C patients infected with the difficult to treat genotype 1 virus. R1626 is very effective in inhibiting viral replication","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05061","Name":"GFT14","DrugType":"small molecule","HalfLife":"","Description":"GFT14 is a new class of medicaction for treatment of cardiometabolic disease. GFT14 aims to target mixed dyslipidemia of type IIb (high levels of triglycerides and LDL-C) as one of the major indications of cardiometabolic disease.\r\nGFT14 is destined to improve the condition of patients at risk from cardiovascular disease by a simultaneous and favorable action on the plasmatic lipids (rise of HDL- cholesterol et lowering of triglycerides) and on other risk factors such as hypertension or diabetes. Orally absorbed GFT14 has absolutely no structural link with current treatments for dyslipidemia (statin or fibrate based). The risks of medical interaction are weak and GFT14 may be easily combined with statins or other antidiabetic molecules (glitazones). ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders and hyperlipidemia.","Toxicity":"","MechanismOfAction":"GFT14 is a synthetic modified triglyceride that agonizes PPAP alpha. It raises HDL-C and lowers triglycerides.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05062","Name":"INCB9471","DrugType":"small molecule","HalfLife":"60 hours","Description":"INCB9471 is a novel, orally available CCR5 antagonist that is part of a new class of drugs to treat HIV/AIDS. It is a potent, selective inhibitor of the HIV-1 virus.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in HIV infection and viral infection.","Toxicity":"","MechanismOfAction":"INCB9471 is an antagonist of CCR5. It works through a different mechanism of action than currently marketed oral antiviral drugs. Rather than fighting HIV inside a patient's white blood cells, it prevents the virus from entering uninfected cells by blocking its predominant entry route, the CCR5 co-receptor.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05063","Name":"Mitoquinone","DrugType":"small molecule","HalfLife":"","Description":"Mitoquinone is based on a novel technology, targeted lipophilic cations, that transport and concentrate antioxidants into the mitochondria -- organelles inside cells that provide energy for life processes -- where they accumulate up to a thousand fold. In 2004, a genomic study of hereditary early-onset Parkinson's disease demonstrated a direct molecular link between mitochondrial dysfunction and the pathogenesis of Parkinson's disease. Mitochondrial dysfunction also has been shown to represent an early critical event in the pathogenesis of the sporadic form of Parkinson's disease. Clinical studies by the Parkinson's Study Group show that very high doses of an antioxidant called Coenzyme Q (which Mitoquinone effectively targets into mitochondria) appear to slow the progression of Parkinson's disease symptoms.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C) and parkinson's disease.","Toxicity":"","MechanismOfAction":"Mitoquinone is targeted to mitochondria by covalent attachment to a lipophilic triphenylphosphonium cation. Because of the large mitochondria membrane potential, the cations accumulate within cellular mitochondria up to 1,000 fold, compared to non-targeted antioxidants such as Coenzyme Q or its analogues, enabling the antioxidant moiety to block lipid peroxidation and protect mitochondria from oxidative damage. By selectively blocking mitochondrial oxidative damage, it prevents cell death.","Pharmacodynamics":"Mitoquinone may help to prevent the nerve cell damage that leads to Parkinson's disease. It aims to slow or halt Parkinson's disease at its cause by tackling cell damage caused when mitochondria cease to function normally. It is anticipated that MitoQ will slow or arrest the progression of Parkinson's disease symptoms.\r\nHepatits C virus can directly alter mitochondrial function, leading to increased reactive oxygen species (free-radical) production that can lead to scarring of the liver and cirrhosis. Mitoquinone could be used to halt or decrease liver inflammation and fibrosis progression, even in the absence of sustained virologic response.\r\nMitoquinone directly affects the mitochondria in two steps: a targeting component directs the drug to the mitochondria; and an antioxidant component helps to prevent cell damage. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05064","Name":"INCB13739","DrugType":"small molecule","HalfLife":"","Description":"INCB13739 is developed as a new treatment for type 2 diabetes. \r\nIt is an orally available small molecule inhibitor of 11beta-HSD1 (11-beta hydroxysteroid dehydrogenase type 1). 11beta-HSD1 is an enzyme that appears to be critical to the development of type 2 diabetes.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2 and diabetes prevention.","Toxicity":"","MechanismOfAction":"INCB13739 is an inhibitor of 11beta-HSD1 (11-beta hydroxysteroid dehydrogenase type 1). 11beta-HSD1 is an enzyme that appears to be critical to the development of type 2 diabetes. INCB13739 completely inhibits the production of intra-adipose and intra-hepatic cortisol by 11beta-HSD1, while maintaining normal systemic cortisol levels, which are essential for immune function and response to stress.","Pharmacodynamics":"11beta-HSD1 is an enzyme that converts cortisone into the potent biologically active hormone cortisol. This conversion occurs intra-cellularly within several key metabolic tissues including the liver, adipose, muscle and pancreas. Cortisol acts as an antagonist of insulin action, and 11beta-HSD1 mediated production of cortisol has been hypothesized to contribute to human insulin resistance and type 2 diabetes. INCB13739 inhibits 11beta-HSD1 and has the potential to provide a broad spectrum impact on the multiple components seen in patients with type 2 diabetes.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05065","Name":"PHX1149","DrugType":"small molecule","HalfLife":"10-13 hours","Description":"PHX1149 is a novel orally administered inhibitor of DPP4 for the treatment of type 2 diabetes.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"PHX1149 is a potent and selective inhibitor of DPP4, a serine protease that has emerged as an important target for the treatment of type 2 diabetes. Inhibiting DPP4 increases the physiological levels of regulatory peptides, such as GLP-1, an important modulator of insulin response and digestion.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05066","Name":"AV411","DrugType":"small molecule","HalfLife":"","Description":"AV411 is an orally bioavailable, centrally acting molecule that Avigen has identified as having potential utility for the treatment of neuropathic pain and other neurological indications, including opiate withdrawal. The active pharmaceutical ingredient in AV411 is ibudilast.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in neuropathy (diabetic) and pain (acute or chronic).","Toxicity":"","MechanismOfAction":"AV411 suppresses the production of pro-inflammatory cytokines (IL-1beta, TNF-alpha , IL-6), and may enhance the production of the anti-inflammatory cytokine IL-10, and upregulate release of neurotrophic factors (NGF, GDNF, NT-4).","Pharmacodynamics":"Release of factors such as substance P, chemokines such as fractalkine, and cytokines including IL-1 and TNFα play a role in amplifying afferent sensory input and causing or exacerbating painful sensations. AV411 has been found to suppress the production of pro-inflammatory cytokines (IL-1beta, TNF-alpha , IL-6), and may enhance the production of the anti-inflammatory cytokine IL-10, and upregulate release of neurotrophic factors (NGF, GDNF, NT-4).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05068","Name":"ATG002","DrugType":"small molecule","HalfLife":"","Description":"ATG002 is a completely new approach to treating chronic wounds such as diabetic foot ulcers, which is based upon stimulation of angiogenesis in the wound bed to help drive the wound-healing process. Unlike protein-derived growth factors, ATG002 is a small molecule that, applied topically, effectively penetrates through the wound and into surrounding tissues.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetic foot ulcers and wounds.","Toxicity":"","MechanismOfAction":"ATG002 is an agonist of the nicotinic acetylcholine (nACh) receptor pathway (pro-angiogenic drugs). It stimulates the nACh receptor pathway and could be useful in promoting angiogenesis in disease conditions where there is an insufficient supply of blood.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05069","Name":"ATG003","DrugType":"small molecule","HalfLife":"","Description":"ATG003, a novel anti-angiogenic drug candidate and a formulation of mecamylamine, is currently in clinical development for neovascular age-related macular degeneration.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in macular degeneration.","Toxicity":"","MechanismOfAction":"ATG003 acts by inhibiting the angiogenic pathway mediated by the nicotinic acetylcholine receptors found on endothelial cells (EC-NAChR). Inhibiting this pathway also inhibits the synthesis and cellular responses mediated by growth factors such as VEGF and bFGF.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05070","Name":"ADX10059","DrugType":"small molecule","HalfLife":"","Description":"ADX10059 is a metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator (NAM). The orally available small molecule drug candidate, which is highly specific for mGluR5, was discovered at Addex in 2003. It is developed for the treatment of GERD, migraine and anxiety.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in anxiety disorders, gastroesophageal reflux disease (GERD), and migraine and cluster headaches.","Toxicity":"","MechanismOfAction":"ADX10059 is a selective mGluR5 negative allosteric modulator, it may have the possibility to reduce inappropriate esophageal sphincter relaxations and prevent reflux in man.\r\nGlutamate is largely responsible for signal transmission in the neural circuit involved in migraine, and mGluR5 receptors are found at strategic points along the pathway. Inhibition of mGluR5 might therefore prevent the initiation of the migraine circuit, or interrupt it once established. mGluR5 are also found in brain regions implicated in anxiety.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05071","Name":"ACE393","DrugType":"small molecule","HalfLife":"","Description":"ACE393 is an injectable vaccine designed to combat the bacterium Campylobacter jejuni, one of the greatest causes of bacterial diarrhoeal infections in the developed world.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diarrhea and infectious and parasitic disease (unspecified).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05072","Name":"AV608","DrugType":"small molecule","HalfLife":"","Description":"AV608 is a NK-1 antagonist. It is developed for the treatment of Social anxiety disorder (SAD), irritable bowel syndrome (IBS) and overactive bladder (OAB).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in anxiety disorders, irritable bowel syndrome (IBS), and urinary incontinence.","Toxicity":"","MechanismOfAction":" An extensive body of scientific literature supports the potential therapeutic application of NK-1 antagonists to the treatment of anxiety disorders. At a biological level, there is a close anatomical association between Substance P, NK-1 receptors and monoamines. More specifically, ~50% of ascending serotonin neurons in the brain also co-express substance P, and norepinephrine cell bodies in the locus coeruleus express NK-1 receptors. In addition, it has been demonstrated that NK-1 receptor blockade can alter the firing pattern of both serotonin and norepinephrine neurons and increase hippocampal neurogenesis. At a functional level, NK-1 antagonists (including AV608) have broadly demonstrated activity in nearly all of the traditionally used preclinical assays to identify anxiolytic agents, including those assays that are predictive for both benzodiazepines and selective serotonin reuptake inhibitors (SSRIs). Clinically, anxiety remains a high priority target for Industry, as evidenced by recent development activity in this area.\r\n It is known that the human intestinal mucosa expresses NK-1 receptors. These receptors are also found in the smooth muscle, arterioles, venules and cells associated with lymph nodules and co-localized with substance P, which is found throughout the gastrointestinal tract. Nerve fibers, including sensory fibers, come into close contact with mast cells, which also express NK-1 receptors. Furthermore, approximately 80% of visceral sensory afferents in the gut express substance P, and it is known that NK-1 receptors in the spinal cord mediate visceral hyperalgesia. Tachykinins are potent secretagogues at the small and large intestinal mucosa in several animal models as well as in the human colon, where there is a direct NK-1 receptor mediated response. Perhaps most important with respect to IBS is the observation that stimulation of sensory fibers or mast cells in the human intestinal tract causes the release of substance P and a consequent increase in epithelial ion transport through the activation of NK-1 receptors. The response to colorectal distension has often been used as a proxy for IBS. In this model, colorectal distension increases abdominal flinching, which is an indicator of pain. This procedure also activates a rectocolonic inhibitory reflex characterized by a decrease in colonic pressure and an increase in fluid transport. Several authors have now observed that NK-1 receptors mediate this rectocolonic inhibitory reflex. Decreased colonic pressure is related to increased colonic transit and these findings are therefore consistent with reports that stress increases intestinal transit, an effect blocked by NK-1 receptor antagonists.\r\nOveractive bladder is a common and distressing condition that has a profound effect on the daily living of affected individuals. This common cause of urinary incontinence describes a cluster of symptoms typified by urinary urgency, frequency, and urge urinary incontinence. Whereas the currently available anticholinergic drugs used to treat overactive bladder act on efferent nerves to counteract overactive bladder, essentially after it occurs, NK-1 antagonists appear to have promising therapeutic potential in their ability to affect the afferent nerves that modulate bladder contraction. A key potential advantage of NK-1 antagonists is that there may be essentially no decrement of detrusor contractility and no urinary retention risk, as is seen with current anticholinergic agents. This is because NK-1 antagonists inhibit sensory afferent nerves but not efferent nerves, which are important for normal and complete voiding of urine. Furthermore, NK-1 antagonists have a more favorable tolerability profile than observed with anticholinergic medications.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05073","Name":"SRT501","DrugType":"small molecule","HalfLife":"","Description":"SRT501 is a small molecule develped for the treatment of metabolic diseases like diabetes and obesity. It is the first small molecule, designed to target SIRT1, to enter the clinic.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2 and neurologic disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"SRT501 is the first small molecule, designed to target SIRT1, to enter the clinic. SIRT1 is the founding member of the human sirtuin family of enzymes. Specifically, SRT501 acts by increasing mitochondrial activity and is thus therapeutically targeted to address metabolic diseases like diabetes and obesity.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05075","Name":"TG100801","DrugType":"small molecule","HalfLife":"","Description":"TG100801 is a topically applied kinase inhibitor in macular degeneration patients. It is administered noninvasively\r\nas an eye drop and is designed to suppress VEGF mediated leakage and additional kinase targets associated with inflammation, edema, and angiogenesis which are the pathological hallmarks of AMD and other back of the eye diseases including diabetic macular edema and proliferative diabetic retinopathy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in macular degeneration.","Toxicity":"","MechanismOfAction":"TG100801 is the first topically applied, multitargeted vascular endothelial growth factor receptor (VEGFR)/Src kinase inhibitor to advance into the clinic. TG100801 significantly reduced VEGF mediated retinal leakage and choroidal neovascularization in relevant pre-clinical models of macular degeneration. In cell based assays, following topical instillation, TG100572, the active drug produced by conversion of TG100801 as it penetrates the eye, was shown to induce apoptosis in proliferating endothelial cells responsible for neovasculariztion and to inhibit inflammatory-mediated processes as measured by endotoxin-induced nitric oxide release in vitro.","Pharmacodynamics":"In cell based assays, following topical instillation, TG100572, the active drug produced by conversion of TG100801 as it penetrates the eye, was shown to induce apoptosis in proliferating endothelial cells responsible for neovasculariztion and to inhibit inflammatory-mediated processes as measured by endotoxin-induced nitric oxide release in vitro.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05076","Name":"Fenretinide","DrugType":"small molecule","HalfLife":"","Description":"A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"Investigated for use/treatment in macular degeneration.","Toxicity":"\"Mechanism of fenretinide (4-HPR)-induced cell death\"","MechanismOfAction":"Fenretinide inhibits the growth of several human cancer cell lines, acting through both retinoid-receptor-dependent and retinoid-receptor-independent mechanisms.1In vivo, fenretinide selectively accumulates in breast tissue and is particularly active in inhibiting rat mammary carcinogenesis.1 An important feature of fenretinide is its ability to inhibit cell growth through the induction of apoptosis rather than through differentiation, an effect that is strikingly different from that of vitamin A.1 In contrast to tamoxifen, which inhibits only estrogen receptor (ER)-positive tumors, fenretinide induces apoptosis in both ER-positive and ER-negative breast cancer cell lines.2 All of these properties render fenretinide an attractive candidate for breast cancer chemoprevention.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05077","Name":"SLV319","DrugType":"small molecule","HalfLife":"","Description":"SLV319 belongs to a novel class of agents called CB1 antagonists, which work by blocking the cannabinoid type 1 (CB1) receptor. It is developed for the treatment of obesity and other metabolic disorders.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in obesity.","Toxicity":"","MechanismOfAction":"SLV319 belongs to a novel class of agents called CB1 antagonists, which work by blocking the cannabinoid type 1 (CB1) receptor. Clinical and preclinical studies involving this class of drug have shown that blocking the cannabinoid type 1 (CB1) receptor results in reduced food intake..","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05078","Name":"AER001","DrugType":"small molecule","HalfLife":"","Description":"AER001, an IL4/13 receptor antagonist for severe asthma and eczema currently in Phase 2 studies.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05079","Name":"HY10275","DrugType":"small molecule","HalfLife":"","Description":"HY10275 is a novel compound specifically designed to modulate two key neurobiological mechanisms that interfere with the sleeping process. HY10275 is highly selective for histamine H1 and serotonin 5HT2a, two chemical receptors that are known to impact the ability to fall asleep and stay asleep. HY10275 was rationally designed to \"let you sleep\" rather than depress the entire brain to \"make you sleep.\" This dual-acting receptor activity and the lack of affinity for undesired off- target receptors are thought to account for the compounds excellent efficacy and tolerability profile.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in insomnia.","Toxicity":"","MechanismOfAction":"HY10275 is specifically designed to modulate two key neurobiological mechanisms that interfere with the sleeping process. The drug is highly selective for histamine H1 and serotonin 5HT2a, two chemical receptors that are known to impact the ability to fall asleep and stay asleep. This dual-acting receptor activity and the lack of affinity for undesired off-target receptors are thought to account for the compounds excellent efficacy and tolerability profile.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05080","Name":"OBE101","DrugType":"small molecule","HalfLife":"","Description":"OBE101 is a new weight loss drug developed by Obecure Ltd. It is a new formulation that is based on the vertigo medication, Betahistine. Obecure is repurposing betahistine, which is an H1 receptor agonist and partial H3 receptor antagonist for the treatment of obese individuals and for other weight management indications. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in adverse effects (drug), hyperlipidemia, and obesity.","Toxicity":"","MechanismOfAction":"OBE101 is a H1 receptor agonist and partial H3 receptor antagonist. Because inhibition of H1 receptors increases feeding, agonism of H1 receptors by OBE101 should reduce feeding. By also partially antagonizing H3, OBE101 impedes a negative feedback loop that essentially prolongs stimulation of the H1 receptors.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05081","Name":"JB991","DrugType":"small molecule","HalfLife":"","Description":"JB991 is a cyclopentenone prostaglandin analogue intended for treatment of psoriasis. The drug exerts marked antiproliferative and pro-apoptotic effect in human keratinocytes and fibroblasts in vitro. In addition a closely related cyclopentenone prostaglandin analogue has been shown to exert marked anti-inflammatory effect in vivo in an animal model. The drug will be applied topically on the skin. \r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in psoriasis and psoriatic disorders and skin infections/disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05082","Name":"ARX201","DrugType":"small molecule","HalfLife":"","Description":"ARX201 (PEG-ahGH) is a recombinant form of human growth hormone that has been modified using Ambrx’s patented ReCODE™ technology to achieve precise spatial positioning of the site of polyethylene glycol (PEG) attachment to human growth hormone, by biosynthetic incorporation of a chemically unique amino acid (ahGH). ARX201 has improved pharmacological properties, which should allow less frequent administration than the daily dosing regimen of currently available growth hormones.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in growth hormone deficiencies/abnormalities.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05083","Name":"TMC278","DrugType":"small molecule","HalfLife":"38 hours","Description":"TMC278 is an investigational non-nucleoside reverse transcriptase inhibitor (NNRTI) under development. TMC278 is a diarylpyrimidine derivative, a new series of NNRTIs which show high intrinsic activity against both wild-type HIV-1 and against HIV strains harboring resistance inducing mutations.","Classification":{"Description":"This compound belongs to the benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.","DirectParent":"Benzonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzonitriles"},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05084","Name":"BA058","DrugType":"small molecule","HalfLife":"","Description":"BA058 is an analog of PTHrP (parathyroid hormone-related protein) and is currently in Phase I clinical trials for the treatment of osteoporosis. BA058 is related to hPTHrP and has demonstrated in preclinical testing the potential to widen the anabolic window for bone therapeutics, stimulating bone formation with a limited effect on bone resorption. This could enable improved convenience over currently available anabolic therapies, resulting in greater compliance and, ultimately, greater benefit to patients.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in osteoporosis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"BA058, a proprietary analog of human parathyroid hormone-related protein, or hPTHrP, is currently in Phase II development by the company for the treatment of osteoporosis in postmenopausal women. PTHrP is a critical peptide for promoting new bone formation, with a distinct role from parathyroid hormone, or PTH, which primarily regulates calcium homeostasis and bone resorption.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05087","Name":"Ganaxolone","DrugType":"small molecule","HalfLife":"1.3-1.9 hours","Description":"Ganaxolone is the 3β-methylated synthetic analog of allopregnanolone; it belongs to a class of compounds referred to as neurosteroids. Ganaxolone is an allosteric modulator of GABAA receptors acting through binding sites which are distinct from the benzodiazepine binding site. It has activity in a broad range of animal models of epilepsy. Ganaxolone has been shown to be well tolerated in adults and children. In early phase II studies, Ganaxolone has been shown to have activity in adult patients with partial-onset seizures and epileptic children with history of infantile spasms. It is currently undergoing further development in infants with newly diagnosed infantile spasms, in women with catamenial epilepsy, and in adults with refractory partial-onset seizures.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"Investigated for use/treatment in pediatric indications and seizure disorders.","Toxicity":"","MechanismOfAction":"Ganaxolone belongs to a novel class of neuroactive steroids called epalons, which specifically modulate the γ-aminobutyric acid type A (GABAA) receptor in the central nervous system (CNS). Chemically related to progesterone but devoid of any hormonal activity, the epalons have potent antiepileptic, anxiolytic, sedative, and hypnotic activities in animals.","Pharmacodynamics":"Ganaxolone is a powerful positive allosteric modulator of GABAA receptors with potency and efficacy comparable to its endogenous analog 3a,5a-P (Carter et al., 1997). As with 3a,5a-P, Ganaxolone potentiation of the GABAA receptor occurs at a site distinct from the benzodiazepine site. Ganaxolone has protective activity in diverse rodent seizure models, including clonic seizures induced by pentylenetetrazol (PTZ) and bicuculline (BIC), limbic seizures in the 6 Hz model, and amygdala kindled seizures (Carter et al., 1997; Rogawski and Reddy, 2004; Kaminski et al., 2004).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05088","Name":"Tetrathiomolybdate","DrugType":"small molecule","HalfLife":"","Description":"Tetrathiomolybdate is an oral, small-molecule, anticopper agent that is highly specific for lowering the levels of free copper in serum. COPREXA has completed pivotal clinical trials for the treatment of neurologic Wilson's disease. It is also developed for fibrotic disorders based upon the rationale that the fibrotic disease process is dependent upon the availability of free copper in the body.","Classification":{"Description":"This compound belongs to the transition metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.","DirectParent":"Transition Metal Sulfides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Transition Metal Organides","SubClass":"Transition Metal Sulfides"},"Indication":"Investigated for use/treatment in liver disease and pulmonary fibrosis.","Toxicity":"","MechanismOfAction":"Tetrathiomolybdate has demonstrated the ability to inhibit fibrosis in a number of well established animal models through the sequestration of available copper and inhibition of key fibrotric cytokines, including secreted protein acid rich in cysteine (SPARC), NFkappaB, TGF-beta, FGF-2, IL-1, IL-6, IL-8, and connective tissue growth factor (CTGF).","Pharmacodynamics":"Tetrathiomolybdate demonstrated the ability to reduce toxic free copper levels and substantially improve clinical neurologic outcomes in Wilson’s patients. Studies also showed it is capable of specifically inhibiting chronic fibrotic disease processes in the lung.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05089","Name":"VPM4001","DrugType":"biotech","HalfLife":"","Description":"VPM4001 is an allogeneic vaccine for treatment of prostate carcinoma. It consists of irradiated human LNCaP cells that have been genetically modified to permanently secrete interferon-γ and interleukin-2 (LNCaP/IL-2/IFN-γ). Interferon-γ enhances presentation of tumour antigens, whereas interleukin-2 stimulates T cells.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in prostate cancer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05090","Name":"FP0011","DrugType":"small molecule","HalfLife":"","Description":"FP0011 is a small molecule antiglutamatergic compound with symptomatic and disease modifying effects in a variety of neurological disorders (amyotrophic lateral sclerosis and Parkinson's disease). It acts on the presynaptic regulation of glutamate and shows strong neuroprotective properties.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in amyotrophic lateral sclerosis (ALS) and parkinson's disease.","Toxicity":"","MechanismOfAction":"FP0011 acts on glutamate receptors and protects nerves.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05091","Name":"M0002","DrugType":"small molecule","HalfLife":"","Description":"M0002 is an orally-active selective vasopressin antagonist that inhibits water re-absorption from the kidneys. It is a vasopressin 2 antagonist and represents a new class of compounds – aquaretics – that produce profound diuresis without loss of electrolytes. It will be of major benefit to those patients not responding satisfactorily to diuretics alone.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Vasopressin regulates renal water resorption through the V2 receptor. Inhibition of vasopressin’s effects on V2 receptors enhances water excretion and increases urinary output. M0002 is a Vasopressin 2 antagonis. It is an electrolyte-sparing aquaretic and causes much lower levels of salt excretion. ","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05092","Name":"CDP323","DrugType":"small molecule","HalfLife":"","Description":"CDP323 is a small-molecule prodrug antagonist of the vascular cell adhesion molecule 1 (VCAM-1) binding to alpha4-integrins. It was originally developed by the British biopharmaceutical company Celltech plc. (now UCB S.A.) and is a putative new drug for oral treatment of multiple sclerosis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in multiple sclerosis.","Toxicity":"","MechanismOfAction":"The mechanism of action of CDP323 is believed to rely on preventing immune cells to migrate from blood vessels through the vessel walls to reach various inflamed tissues, including the brain. This mechanism is thought to prevent overshooting immune reactions and subsequent tissue damage as seen during uncontrolled immune cell migration as in multiple sclerosis. CDP323 has the same mechanism of action as the monoclonal antibody natalizumab.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05093","Name":"AX200","DrugType":"small molecule","HalfLife":"","Description":"AX200, which has been developed for the treatment of stroke, is the most advanced drug candidate and is halfway through the process of gaining clinical approval. The expression of the endogenous AX200 protein in the brain is increased after brain damage. Thus, if this drug administered in the acute phase of stroke, the brain’s own protective action is supported. And this is where the double neurotherapeutic approach is most beneficial: AX200 stops neuronal cell death in the acute phase of stroke, while stimulating simultaneously the regeneration of nervous tissue through the induction of neuro- and arteriogenesis and supporting the reorganisation of the nervous system.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders and strokes.","Toxicity":"","MechanismOfAction":"The AX200 protein is produced at highly elevated levels in\r\nthe brain, as part of an endogenous protective mechanism after brain damage. Thus, if this drug administered in the acute phase of stroke, the brain’s own protective action is further boosted. This offers a highly beneficial, dual neurotherapeutic approach which has been discovered by SYGNIS. AX200 stops neuronal cell death in the acute phase of stroke, and in addition, it stimulates the regeneration of the already damaged nervous tissue through the induction of new nerve cells and blood vessels and the reorganisation of neuronal networks.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05094","Name":"MDV3100","DrugType":"small molecule","HalfLife":"","Description":"MDV3100 is a small molecule compound developed to treat hormone-refractory prostate cancer. MDV3100, which was rationally designed based on a breakthrough discovery, directly addresses a key mechanism that leads to prostate cancer cell death. MDV3100 may block both hormone-refractory and hormone-sensitive prostate cancer better than currently available therapies.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in prostate cancer.","Toxicity":"","MechanismOfAction":"MDV3100 is the lead development candidate from a library of approximately 170 small molecules licensed by Medivation. These molecules were rationally designed to treat hormone-refractory prostate cancer by inhibiting the androgen receptor (AR) in a different manner from currently approved AR antagonist drugs, which are ineffective in treating prostate cancers that have become hormone-refractory.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05095","Name":"Cimicoxib","DrugType":"small molecule","HalfLife":"","Description":"Cimicoxib is a selective COX-2 inhibitor being developed by Affectis as a treatment for depression and schizophrenia. If approved, Cimicoxib would be the first drug in decades to treat depression by a new mechanism of action.","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"Investigated for use/treatment in depression.","Toxicity":"","MechanismOfAction":"Depression and schizophrenia are inflammatory diseases. Increased levels of pro-inflammatory cytokines and prostaglandin E (PGE) have repeatedly been described in major depression. COX-2 inhibitors inhibit production of both. Cimicoxib is a selective COX-2 inhibitor. The mechanism by which some COX-2 inhibitors work in depression could be linked to their anti-inflammatory mechanisms.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05096","Name":"LY2140023","DrugType":"small molecule","HalfLife":"","Description":"LY2140023 is an investigational drug from Lilly, which is being developed as a new treatment option for schizophrenia. LY2140023 is an oral \"prodrug,\" meaning it is devoid of intrinsic biological activity and, once administered, is metabolized to provide the active mGlu2/3 receptor agonist called LY404039. Most currently approved antipsychotic medications work by affecting the neurotransmitters dopamine or serotonin. For LY2140023, the active substance, LY404039, is thought to work by reducing the presynaptic release of another neurotransmitter, glutamate, in brain regions where mGlu2/3 receptors are expressed. Further studies are planned or are ongoing to learn more about the safety and effectiveness, including determining an optimal therapeutic dose for LY2140023.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in psychosis and schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"LY2140023 is an antipsychotic agent that is a metabotropic glutamate 2/3 receptor agonist. This agent has a new mechanism of action that is efficacious in treating schizophrenia and potentially other neuropsychiatric conditions. Once absorbed, LY2140023 is efficiently hydrolyzed to produce the active mGlu2/3 receptor agonist LY404039. LY404039 and other mGlu2/3 agonists do not directly interact with dopamine or serotonin (5-HT2A) receptors. However, 'functional' 5-HT2A receptor antagonism in the prefrontal cortex may represent a common mechanism shared by clinically effective atypical antipsychotics and mGlu2/3 receptor agonists, and may contribute to the antipsychotic actions of LY2140023.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05097","Name":"Labetuzumab","DrugType":"biotech","HalfLife":"","Description":"Labetuzumab is a humanized monoclonal antibody to carcinoembryonic antigen that inhibits tumor growth. It is used in radioimmunotherapy.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Labetuzumab is a humanized monoclonal antibody used to treat cancer. Retrieved from \"http://en.wikipedia.org/wiki/Labetuzumab\"","Toxicity":"","MechanismOfAction":"labetuzumab could significantly increase the\r\nchemosensitivity of human colon and breast cancer cells in vitro to several anticancer drugs.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05098","Name":"Leptin","DrugType":"small molecule","HalfLife":"24.9+/-4.4 min","Description":"Although leptin is a circulating signal that reduces appetite, in general, obese people have an unusually high circulating concentration of leptin. These people are said to be resistant to the effects of leptin, in much the same way that people with type 2 diabetes are resistant to the effects of insulin. Thus, obesity develops when people take in more energy than they use over a prolonged period of time, and this excess food intake is not driven by hunger signals, occurring in spite of the anti-appetite signals from circulating leptin. The high sustained concentrations of leptin from the enlarged fat stores result in the cells that respond to leptin becoming desensitized.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in lipodystrophy and obesity.","Toxicity":"","MechanismOfAction":"It is unknown whether leptin can cross the blood-brain barrier to access receptor neurons, because the blood-brain barrier is somewhat absent in the area of the median eminence, close to where the NPY neurons of the arcuate nucleus are. If it does cross the blood-brain barrier, it is unknown whether this occurs via an active or passive process. It is generally thought that leptin might enter the brain at the choroid plexus, where there is intense expression of a form of leptin receptor molecule that might act as a transport mechanism.\r\n\r\nOnce leptin has bound to the Ob-Rb receptor, it activates the molecule stat3, which is phosphorylated and travels to the nucleus, it is presumed, to effect changes in gene expression. One of the main effects on gene expression is the down-regulation of the expression of endocannabinoids, responsible—among their many other functions—for increasing appetite. There are other intracellular pathways activated by leptin, but less is known about how they function in this system. In response to leptin, receptor neurons have been shown to remodel themselves, changing the number and types of synapses that fire onto them.\r\n\r\nAlthough leptin is a circulating signal that reduces appetite, in general, obese people have an unusually high circulating concentration of leptin.[3] These people are said to be resistant to the effects of leptin, in much the same way that people with type 2 diabetes are resistant to the effects of insulin. Thus, obesity develops when people take in more energy than they use over a prolonged period of time, and this excess food intake is not driven by hunger signals, occurring in spite of the anti-appetite signals from circulating leptin. The high sustained concentrations of leptin from the enlarged fat stores result in the cells that respond to leptin becoming desensitized.\r\n\r\nIn mice, leptin is also required for male and female fertility. In mammals generally, and in humans in particular, puberty in females is linked to a critical level of body fat. When fat levels fall below this threshold (as in anorexia), the ovarian cycle stops and females stop menstruating.\r\n\r\nLeptin is also strongly linked with angiogenesis, increasing VEGF levels.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05099","Name":"Ancrod","DrugType":"small molecule","HalfLife":"3 to 5 hours","Description":"Ancrod (current brand name: Viprinex) is a defibrinogenating agent derived from the venom of the Malayan pit viper. The defribrinogenation of blood results in an anticoagulant effect. Currently, Viprinex®/ancrod is not approved or marketed in any country, but is being investigated as a stroke treatment in worldwide clinical trials. In January 2005, the U.S. FDA granted a 'fast-track status' for investigation of ancrod use in patients suffering from acute ischemic stroke, a life threatening condition caused by the blockage of blood vessels supplying blood and oxygen to portions of the brain, for which phase III trials are currently being conducted.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of established deep vein thrombosis; central retinal and branch vein thrombosis; priapism; pulmonary hypertension of embolic origin; embolism after insertion of prosthetic cardiac valves; rethrombosis after thrombolytic therapy and rethrombosis after vascular surgery. It is also indicated for the prevention of deep venous thrombosis after repair of the fractured neck of a femur.","Toxicity":"Currently, a new dosing strategy is being investigated in two international phase III trials as part of the 'Ancrod Stroke Program (ASP).' Each of these studies will enroll 650 patients and assess whether a brief, relatively rapid ancrod infusion with no maintenance dosing will be both effective and safe. Contraindications and precautions Known bleeding disorders of any origin or any unexplained excessive bleedings in the past. Platelet counts of less than 100,000 (even if asymptomatic), exemption : HIT (Heparin- induced thrombocytopenia). Planned surgery or short before delivery. Active ulcerations of the GIT. Any kind of malignant disease. Renal stones (increased likelihood of significant urological bleeding). Severe and uncontrolled arterial hypertension. Active pulmonary tuberculosis. Impaired fibrinolysis. Severe liver disease. Manifest or impending shock. I.M.-Injection : Ancrod should not be injected i.m., because of rapid induction of neutralizing antibodies and therefore drug resistance. Pregnancy Category X : Ancrod was not found to be teratogenic in animal studies, but some fetal deaths occurred as a result of placental hemorrhages in animals given high doses; therefore, it should not be used during pregnancy as the defibrinogenation mechanism of ancrod might be expected to interfere with the normal implantation of the fertilized egg. Side effects Hypersensitivity reactions : Local or generalized skin reactions (rash and urticaria); appearance of neutralizing antibodies to ancrod with partial or total loss of ancrod activity (drug resistance). Sometimes pain at injection site (normally mild)","MechanismOfAction":"Ancrod's anticoagulant effects are through the rapid removal of fibrinogen from the blood within hours following ancrod administration. Ancrod specifically cleaves only the alpha chain of fibrinogen, producing the characteristic fibrinopeptides A, AP and AY, not the B-fibrinopeptide. The resulting fibrin polymers are imperfectly formed and much smaller in size (1 to 2 µm long) than the fibrin polymers produced by the action of thrombin. These ancrod-induced microthrombi are friable, unstable, urea-soluble and have significantly degraded a-chains. They do not cross-link to form thrombi. They are markedly susceptible to digestion by plasmin and are rapidly removed from circulation by either reticuloendothelial phagocytosis or normal fibrinolysis, or both. The blood viscosity in patients receiving ancrod is progressively reduced by 30 to 40%.\r\nAncrod does not activate plagminogen and does not degrade preformed, fully cross-linked thrombin fibrin. Consequently, unlike fibrinolytic agents, ancrod can be used postoperatively. \r\nUnlike thrombin, ancrod does not directly activate Factor XIII, nor does it produce platelet aggregation nor cause the release of ADP, ATP, potassium, nor serotonin from platelets.\r\n","Pharmacodynamics":"The decreased viscosity is directly attributable to lowered fibrinogen levels and leads to important improvements in blood flow and perfusion of the microcirculation.Ancrod decreases the blood viscosity in affected arteries, leads to less intense pain, improves physical limb mobility, and facilitates physical and ergo therapy. Finally, ancrod decreases the likelihood of local thrombotic events.","Absorption":"100% after i.v. dosing","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05100","Name":"AG3340","DrugType":"small molecule","HalfLife":"2-5 hours","Description":"AG3340 is a synthetic hydroxamic acid derivative with potential antineoplastic activity. AG3340 inhibits matrix metalloproteinases (MMPs) (specifically, MMP-2, 9, 13, and 14), thereby inducing extracellular matrix degradation, and inhibiting angiogenesis, tumor growth and invasion, and metastasis. As a lipophilic agent, AG3340 crosses the blood-brain barrier. ","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"Investigated for use/treatment in brain cancer, lung cancer, and prostate cancer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05101","Name":"Matuzumab","DrugType":"biotech","HalfLife":"196 hours","Description":"Matuzumab (formerly EMD 72000) is a humanized monoclonal antibody for the treatment of cancer. It binds to EGFR (epithelial growth factor receptor) with high affinity.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cervical dysplasia/cancer, colorectal cancer, gastric cancer, and lung cancer.","Toxicity":"","MechanismOfAction":"Matuzumab binds the epidermal growth factor receptor (EGFR) with high affinity, competitively blocking natural ligand binding and blocking receptor-mediated downstream signalling, resulting in impaired tumor cell proliferation. Matuzumab (EMD-72000) is a humanized IgG1 MAb that not only binds with high specificity and affinity to EGFR, but also modulates antibody-dependent cellular cytotoxicity (ADCC).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05102","Name":"AG7088","DrugType":"small molecule","HalfLife":"","Description":"AG7088 is a rhinovirus 3C protease inhibitor in development for use against human rhinoviral (HRV) infections. AG7088 was active against all 48 HRV serotypes tested in a cell protection assay in H1-HeLa cells. It is designed to combat colds caused by rhinovirus.","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Investigated for use/treatment in viral infection.","Toxicity":"","MechanismOfAction":"The 3C protease (3CP) enzyme is central to rhinovirus replication. By binding to and inhibiting this enzyme, AG7088 prevents rhinovirus replication in cells of the respiratory tract and stops cold symptoms developing.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05103","Name":"Pivaloyloxymethyl butyrate","DrugType":"small molecule","HalfLife":"","Description":"Pivaloyloxymethyl butyrate (AN-9), an acyloxyalkyl ester prodrug of butyric acid (BA), exhibited low toxicity and significant anticancer activity in vitro and in vivo. It shows greater potency than BA at inducing malignant cell differentiation and tumor growth inhibition and has demonstrated more favorable toxicological, pharmacological, and pharmaceutical properties than BA in preclinical studies.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in liver cancer, lung cancer, melanoma, and leukemia (lymphoid).","Toxicity":"","MechanismOfAction":"Pivaloyloxymethyl butyrate is a histone deacetylase inhibitor analog of butyric acid that causes apoptosis of cancer cells through signaling cellular differentiation. It is rapidly and extensively transported intracellularly because of its high lipophilicity, where it undergoes esterase-mediated hydrolysis to form pivalic acid, formaldehyde, and BA.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05104","Name":"Asimadoline","DrugType":"small molecule","HalfLife":"","Description":"Asimadoline is a proprietary small molecule therapeutic, originally discovered by Merck KGaA of Darmstadt, Germany. Asimadoline was originally developed to treat peripheral pain such as arthritis. Asimadoline is an orally administered agent that acts as a kappa opioid receptor agonist. It has shown encouraging clinical efficacy for the treatment of IBS in a barostat study in IBS patients and has the potential for treating other gastrointestinal diseases.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Investigated for use/treatment in irritable bowel syndrome (IBS).","Toxicity":"","MechanismOfAction":"Asimadoline is an orally administered agent that acts as a kappa opioid receptor agonist. Kappa opioid receptors are found mostly in the digestive tract and are believed to play an important role in control of visceral pain and bowel motility. As such, kappa opioid agonists are ideal candidates to relieve the pain, discomfort an impaired motility common to IBS and other gastrointestinal disorders.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05105","Name":"Pleconaril","DrugType":"small molecule","HalfLife":"","Description":"Pleconaril is an antiviral drug being developed by Schering-Plough for prevention of asthma exacerbations and common cold symptoms in asthmatic subjects exposed to picornavirus respiratory infections. Although the formulation used by Schering-Plough is a nasal spray, pleconaril is orally bioavailable, and is active against viruses in the Picornaviridae family, including Enterovirus and Rhinovirus.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Investigated for use/treatment in upper respiratory infection.","Toxicity":"","MechanismOfAction":"Pleconaril binds to a hydrophobic pocket in viral protein 1, the major protein which comprises the capsid (the outer \"shell\") of picornaviruses. In enteroviruses, this prevents the virus from exposing its RNA, and in rhinoviruses it also prevents the virus from attaching itself to the host cell.","Pharmacodynamics":"","Absorption":"70% (oral)","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05106","Name":"IR208","DrugType":"biotech","HalfLife":"","Description":"IR208 is a synthetic T-Cell receptor peptide\r\nvaccine developed by Immune Response Corporation.\r\nIt contains three peptides (BV5S2, BV6S5\r\nand BV13S1) expressed by T-Cells in over 90% of MS\r\npatients. IR208 is currently undergoing Phase II\r\nstudies in a 200-patient trial.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in multiple sclerosis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05107","Name":"HE2000","DrugType":"small molecule","HalfLife":"","Description":"HE2000 is an injectable formulation of a compound called alpha-epi-bromide. It is a chemical relative of DHEA which was selected for development after it showed antiretroviral activity in laboratory tests.","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"Investigated for use/treatment in cystic fibrosis, HIV infection, hepatitis (viral, B), and malaria.","Toxicity":"","MechanismOfAction":"HE2000 interacts with certain enzymes, including G6PDH (glucose 6 phosphate dehydrogenase); these enzymes could be involved in the mechanism. Also, the compound is in the steroid hormone series, and involved in control mechanisms in our cells that are much more complex, interacting with receptors and therefore changing the biochemistry of cells. This compound may have many modes of action; we are trying to understand what they may be.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05108","Name":"EHT899","DrugType":"small molecule","HalfLife":"","Description":"EHT899 is a proprietary formulation of an HBV viral protein designed to eliminate the undesirable immune response elicited by the HBV infection. It also apparently enhances a secondary immune response to clear the viral infection, resulting in reduction in liver damage and decrease in viral load.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, B).","Toxicity":"","MechanismOfAction":"Studies indicate that EHT899 may induce a secondary immune response against the virus, at the same time reducing the undesirable response associated with HBV infection. Oral intake of viral protein could, in some formulations, induce immunological suppression in chronic carriers.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05109","Name":"Trabectedin","DrugType":"small molecule","HalfLife":"33-50 hours","Description":"Trabectedin, also referred as ET-743 during its development, is a marine derived antitumoral agent discovered in the Carribean tunicate _Ecteinascidia turbinata_ and now produced synthetically. Trabectedin has a unique mechanism of action. It binds to the minor groove of DNA interfering with cell division and genetic transcription processes and DNA repair machinery.It is approved for use in Europe, Russia and South Korea for the treatment of advanced soft tissue sarcoma. It is also undergoing clinical trials for the treatment of breast, prostate, and paediatric sarcomas. The European Commission and the U.S. Food and Drug Administration (FDA) have granted orphan drug status to trabectedin for soft tissue sarcomas and ovarian cancer.","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"Indicated for treatment of advanced soft tissue sarcoma in patients refractory to or unsuitable to receive anthracycline or ifosfamide chemotherapy in Europe, Russia and South Korea. Approved for orphan drug status by the U.S. FDA for treatment of soft tissue sarcomas and ovarian cancer. Investigated for use/treatment in cancer/tumors (unspecified), gastric cancer, ovarian cancer, pediatric indications, sarcoma, and solid tumors.","Toxicity":"","MechanismOfAction":"Trabectedin interacts with the minor groove of DNA and alkylates guanine at the N2 position, which bends towards the major groove. In this manner, it is thought that the drug affects various transcription factors involved in cell proliferation, particularly via the transcription-coupled nucleotide excision repair system. Trabectedin blocks the cell cycle at the G2 phase, while cells at the G1 phase are most sensitive to the drug. It also inhibits overexpression of the multidrug resistance-1 gene (MDR-1) coding for the P-glycoprotein that is a major factor responsible for cells developing resistance to cancer drugs. The agent is also thought to interfere with the nucleotide excision repair pathways of cancer cells, suggesting that it could be effective in the treatment of many cancer types including melanoma and sarcoma, as well as lung, breast, ovarian, endometrial and prostate cancers; clinical evaluations are underway in these indications.\r\n","Pharmacodynamics":"Two of the rings in the drug's structure allows it to covalently bind to the minor groove of DNA. The third ring protrudes from the DNA which lets it interact with nearby nuclear proteins. This has the additive effect of blocking cell division at the G2 phase.","Absorption":"Administered intravenously. ","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05110","Name":"VIR201","DrugType":"biotech","HalfLife":"","Description":" is an experimental therapeutic vaccine currently in clinical trial. The aim of therapeutic vaccines is to augment the body's immune response to HIV and to delay or prevent progression to AIDS.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"VIR201 uses DNA vaccine technology called Co-X-Gene in which HIV and human genetic material have been grafted on to a harmless fowlpox virus. This fowlpox vector carries genetic material for HIV proteins gag and pol. The aim of this component of the vaccine is to stimulate HIV-specific immune responses in people who have very low levels of HIV in their blood due to antiretroviral therapy. The vaccine also carries genetic material to stimulate the cytokine or immune system messenger called interferon gamma which is associated with delayed disease progression. The aim of this second component of the vaccine is to boost levels of interferon gamma and improve immune functioning.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05111","Name":"Fontolizumab","DrugType":"biotech","HalfLife":"","Description":"Fontolizumab (marketed under the trade name HuZAF™) is a humanized monoclonal antibody which is used as an immunosuppressive drug to treat Crohn's disease.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in crohn's disease and psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"Fontolizumab is a humanised antibody directed against recombinant human IFN-{gamma}. The antibody binds to natural human IFN-{gamma} and inhibits expression of IFN-{gamma} regulated genes known to be upregulated in Crohn’s disease.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05112","Name":"AP5280","DrugType":"small molecule","HalfLife":"","Description":"AP5280 is a novel N-(2-hydroxypropyl)methacrylamide (HPMA) copolymer-bound platinum (Pt) therapeutic designed to increase the therapeutic index relative to conventional, small-molecule platinum agents.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"\r\nAP5280 was designed to take advantage of two independent mechanisms for attaining selectivity. The first of these is the enhanced permeability and retention effect by which high molecular weight polymers passively accumulate to high levels in tumors, and the second is the increased level of expression of proteases capable of cleaving the peptide linker between the polymer and the cytotoxic moiety that is characteristic of many tumors.\r\nAP5280 is a chemotherapeutic agent that we believe has the potential to have significantly superior effectiveness in treating numerous cancers compared to platinum compounds currently in use. AP5280 seeks to achieve this goal by attaching a large polymer to a small platinum molecule. This method exploits the usually leaky or hyperpermeable nature of the cells that line the walls of blood vessels that\r\nfeed tumors by allowing the large AP5280 molecule to enter the tumor in preference to other tissue, which do not have leaky or hyperpermeable blood vessels. In addition, the capillary/lymphatic drainage system of tumors is not well developed and limited, so the drug gets trapped in the\r\ntumor. This dual effect is called enhanced permeability and retention, or EPR. In addition, the polymer is designed to shield the platinum from interactions with normal cells while the drug circulates within the body, thereby reducing toxicity. The proposed mechanism of how AP5280 is taken up by tumor cells bypasses known membrane-associated mechanisms\r\nfor development of tumor resistance, a common cause of failure of chemo-therapeutic drugs over the course of treatment.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05113","Name":"105AD7","DrugType":"small molecule","HalfLife":"","Description":"105AD7 is a human monoclonal antibody that mimics the complement regulatory protein, CD55, overexpressed by many solid tumours including osteosarcoma. 105AD7 induced antitumour inflammatory responses in metastatic colorectal cancer patients. 105AD7 may be a suitable vaccine for treatment of this disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in colorectal cancer.","Toxicity":"","MechanismOfAction":"105AD7 vaccine is a human anti-idiotype which mimics the antigen 791Tgp72. The mechanism of action of the vaccine has recently been clarified. The anti-idiotype is rapidly internalized on antigen presenting cells by Fc mediated endocytosis as both Fab and Ab complexed to alum are processed 1,000 fold less efficiently than whole Ab. Sequencing of the Ab have revealed that the CDR-H3 is hypermutated and contains HLA A1, A3 and A24, and HLA-DR1, 3 and 7 MHC binding motifs.\r\n\r\n\r\n\r\n105AD7 is an antibody-based vaccine that mimics a target (CD55) which is over-expressed in numerous cancers including those of the prostate, colon and pancreas.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05114","Name":"EHC18","DrugType":"small molecule","HalfLife":"","Description":"EHC18 is an immune regulation medicine. It is a broad spectrum of specific HCV proteins.\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C) and hepatocellular carcinoma.","Toxicity":"","MechanismOfAction":"EHC18 is an oral compound thought to modulate immune responses to HCV by inducing tolerance, or non-responsiveness to viral antigens, thus potentially reducing inflammation.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05115","Name":"NN344","DrugType":"small molecule","HalfLife":"","Description":"NN344 is a neutral, soluble long-acting human insulin analogue with 24 hour coverage by once daily injection. NN344 has a very flat and predictable action profile. The product is intended for basal insulin treatment of diabetes mellitus.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 1 and 2.","Toxicity":"","MechanismOfAction":"NN344 binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of NN344 to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor is able to autophosphorylate and phosphorylate numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. These activated proteins, in turn, lead to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC) which play a critical role in metabolism and catabolism.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05116","Name":"NB1011","DrugType":"small molecule","HalfLife":"","Description":"NB1011, a phosphoramidate derivative of (E)-5-(2-bromovinyl)-2'-deoxyuridine, is a novel small molecule anticancer agent. NB1011 is selectively active against tumor cells expressing high levels of thymidylate synthase (TS), a critical enzyme in DNA biosynthesis. NB1011 was as efficacious as irinotecan, a drug recently approved for the treatment of 5-fluorouracil-resistant colon cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in colorectal cancer.","Toxicity":"","MechanismOfAction":"NB1011 targets thymidylate synthase (TS), which catalyzes the transformation of E-5-(2-bromovinyl)-2'-deoxyuridine-5'-monophosphate (BVdUMP) into cytotoxic reaction products. Due to the elevated levels of TS expression in tumor cells compared to normal cells, these cytotoxic products are preferentially generated inside tumor cells, and, as expected, NB1011 is more toxic to cells with higher levels of TS expression. Therefore, NB1011 therapy should kill tumor cells without severely damaging normal cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05117","Name":"IGN301","DrugType":"biotech","HalfLife":"","Description":"IGN301 is a cancer vaccine based on an anti-idiotypic antibody which provokes an immune response to Lewis Y. Lewis Y is a carbohydrate molecule expressed on the surface of tumor cells of epithelial origin (e.g. lung, intestinal, breast, prostate or ovarian cancers).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"IGN301 is based on an anti-idiotype antibody designed to trigger an immune response to Lewis Y, a carbohydrate\r\nmolecule frequently overexpressed in tumor cells of epithelial origin such as lung, colon, breast, prostate or\r\novarian cancer.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05118","Name":"R1204","DrugType":"small molecule","HalfLife":"","Description":"R1204 is G-protein-coupled receptor modulator. It is developed for the treatment of depression.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in depression.","Toxicity":"","MechanismOfAction":"R1204 is G-protein-coupled receptor modulator which is involved in the regulation of mood and behavior.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05119","Name":"Rilapladib","DrugType":"small molecule","HalfLife":"","Description":"Rilapladib is the third genomics-derived small molecule drug arising from the Human Genome Sciences-GlaxoSmithKline collaboration to enter clinical development. It is a lipoprotein-associated phospholipase A2 (Lp-PLA2) inhibitor. Lp-PLA2 is an enzyme associated with the formation of atherosclerotic plaques.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in atherosclerosis and cardiovascular disorders.","Toxicity":"","MechanismOfAction":"Rilapladib is a Lp-PLA2 inhibitor. Lp-PLA2 has been found to be enriched in the highly atherogenic lipoprotein subfraction of small dense LDL, which is susceptible to oxidative modification. Moreover, enzyme levels are increased in patients with hyperlipidaemia, stroke, Type 1 and Type 2 diabetes mellitus, as well as in post-menopausal women. As such, plasma Lp-PLA2 levels tend to be elevated in those individuals who are considered to be at risk of developing accelerated atherosclerosis and clinical cardiovascular events. Thus, inhibition of the Lp-PLA2 enzyme would be expected to stop the build up of this fatty streak (by inhibition of the formation of lysophosphatidylcholine), and so be useful in the treatment of atherosclerosis. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05120","Name":"AT1391","DrugType":"small molecule","HalfLife":"","Description":"AT1391 is a daily insulin skin patch designed to provide continuous basal levels of insulin for patients with diabetes.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 1 and 2.","Toxicity":"","MechanismOfAction":"Insulin binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor is able to autophosphorylate and phosphorylate numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. These activated proteins, in turn, lead to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC) which play a critical role in metabolism and catabolism.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05121","Name":"1D09C3","DrugType":"biotech","HalfLife":"","Description":"1D09C3, a monoclonal antibody against lymphoid cancers, is an anti-MHC (major histocompatibility complex) class II monoclonal antibody. The antibody was isolated in collaboration with MorphoSys from its HuCAL(R) library of human antibodies. 1D09C3 binds to certain cell surface receptors, selectively killing activated, proliferating MHC class II-positive tumor cells, which include those in B-cell and T-cell lymphomas. 1D09C3 has been shown to induce programmed cell death and does not require a functioning immune system for its cell-killing effect.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"1D09C3 binds specifically to the MHC (major histocompatibility complex) class II molecule, which is found mainly on the surface of blood cells and certain tumor cells. It selectively kills activated, proliferating MHC class II-positive tumor cells, which include those in B-cell and T-cell lymphomas. 1D09C3 has been shown to kill these tumor cells by inducing programmed cell death.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05122","Name":"R1295","DrugType":"small molecule","HalfLife":"","Description":"R1295 is an integrin antagonist currently in clinical trials for the treatment of rheumatoid arthritis. Integrins are associated to the pathology seen in some of the autoimmune diseases such as rheumatoid arthritis. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"R1295 is an integrin antagonist. As leukocyte integrins are key molecules in immune-mediated and inflammatory processes, R1295 may treat human inflammatory diseases such as rheumatoid arthritis. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05123","Name":"Gemcabene","DrugType":"small molecule","HalfLife":"","Description":"Gemcabene is a new drug that lowers low-density lipoprotein cholesterol (LDL-C), decreases triglycerides, and raises high-density lipoprotein cholesterol (HDL-C).","Classification":{"Description":"This compound belongs to the branched fatty acids. These are fatty acids containing a branched chain.","DirectParent":"Branched Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Branched Fatty Acids"},"Indication":"Investigated for use/treatment in atherosclerosis, cardiovascular disorders, and hyperlipidemia.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05124","Name":"ARC183","DrugType":"small molecule","HalfLife":"","Description":"ARC183 is a DNA aptamer, which is a single-stranded DNA molecule consisting of 15 deoxynucleotides that forms well-defined three-dimensional configuration, allowing it to bind to thrombin with high affinity and specificity. The key\r\nadvantage of ARC183 compared to other thrombin inhibitors is its rapid onset of action and short half-life, giving it the potential to be an ideal agent for medical procedures that require rapid resolution of anticoagulation or that require reversal of anticoagulation shortly after the procedure is completed.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in blood (blood forming organ disorders, unspecified), cardiac surgery, and coronary artery disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05125","Name":"SC12267","DrugType":"small molecule","HalfLife":"","Description":"SC12267 is a novel, small molecule agent from the class of DMARDs (disease modifying anti-rheumatic drug) for the therapy of autoimmune diseases such as rheumatoid arthritis or multiple sclerosis. Through highly selective inhibition of pyrimidine biosynthesis, it controls the growth of rapidly proliferating cells, especially of lymphocytes, which are important for the immune response.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in multiple sclerosis and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"SC12267, a novel, selective and orally available, small molecule inhibitor of dihydroorotate dehydrogenase\r\n(DHODH), interferes with cell proliferation through blocking the synthesis pathway of pyrimidines. Its mode-of-\r\naction is of therapeutic relevance for the treatment of autoimmune disorders such as rheumatoid arthritis and\r\nmultiple sclerosis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05126","Name":"PYM50018","DrugType":"small molecule","HalfLife":"","Description":"PYM50018 is a patented, orally active, neuroprotective and neuroregenerative compound. It is developed for the treatment of amyotrophic lateral sclerosis (ALS, also known as Lou Gehrig's disease). In pre-clinical models, PYM50018 has been observed to protect against neuronal damage, increase neurite outgrowth, reverse oxidative damage and reverse neuronal apoptosis in vitro. When administered orally to a transgenic pre-clinical model of ALS, PYM50018 delays the loss of muscle strength and extends survival time.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in amyotrophic lateral sclerosis (ALS).","Toxicity":"","MechanismOfAction":"Although the precise molecular pathways that cause the death of motor neurones in ALS remain unknown, possible mechanisms include abnormalities in neurofilament proteins, mitochondrial alterations and glutamate mediated excitotoxicity. In pre-clinical studies, the single chemical PYM50018 a novel neurotrophic factor inducer, protects against neuronal damage, reverses the decrease of neuronal growth factors and reverses neuronal degeneration observed in motor neurones. PYM50018 also increases neurite outgrowth, reverses oxidative damage and reverses neuronal apoptosisin vitro. When administered orally to a transgenic pre-clinical model of ALS, PYM50018 delays the loss of muscle strength and extends survival time.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05127","Name":"ANA971","DrugType":"small molecule","HalfLife":"","Description":"ANA971, an orally administered prodrug of isatoribine. Isatoribine is a nucleoside analog in development for the treatment of chronic hepatitis C virus (HCV) infection. ANA971 is a prodrug designed to improve the oral bioavailability of isatoribine. ANA971 resulted in higher levels of isatoribine in the blood than were present after oral administration of isatoribine itself.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"The mechanism of action is the same as for isatoribine. Isatoribine is believed to act by a mechanism of action involving interaction with Toll-like receptor 7 (TLR7) and stimulation of the patient's own immune system, but the precise mechanism by which isatoribine reduced viral load is unknown (possible mechanisms include an antiviral effect, modulation of innate immunity, or enhancement of cellular responses).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05128","Name":"Aminocandin","DrugType":"small molecule","HalfLife":"","Description":"Aminocandin is a new representative of the echinocandins that could potentially affect the cellular morphology and metabolic status of Candida albicans cells within biofilms.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in fungal infections.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05129","Name":"Elsamitrucin","DrugType":"small molecule","HalfLife":"36–60 h","Description":"The cytostatic agent Elsamitrucin is a new fermentation product active in a variety of in vivo tumor models of murine and human origin. (PMID: 8150873)","Classification":{"Description":"This compound belongs to the naphthopyranone glycosides. These are compounds containing a carbohydrate moiety glycosidically linked to a naphthopyranone moiety.","DirectParent":"Naphthopyranone Glycosides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthopyrans","SubClass":"Naphthopyranones"},"Indication":"Investigated for use/treatment in lymphoma (non-hodgkin's).","Toxicity":"","MechanismOfAction":"Elsamitrucin induces single strand breaks in DNA and inhibits topoisomerase I and II, enzymes that play an important role in DNA replication.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05130","Name":"INCB3284","DrugType":"small molecule","HalfLife":"","Description":"INCB3284 is a CCR2 antagonist for Inflammation-driven Diseases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in inflammatory disorders (unspecified).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05131","Name":"TTP889","DrugType":"small molecule","HalfLife":"20 hours","Description":"TTP889, an orally bioavailable selective inhibitor of the intrinsic coagulation pathway, is being developed as an anticoagulant for the treatment of thromboembolic disorders. TTP889 is the only known selective small molecule inhibitor of Factor IX, a key enzyme of the intrinsic pathway of the blood coagulation system. TTP889 has proven to be effective in preventing clot formation in several animal models of human disease, without any signs of the bleeding associated with traditional anticoagulants. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in blood (blood forming organ disorders, unspecified), cardiac surgery, and venous thromboembolism.","Toxicity":"","MechanismOfAction":"TTP889 is a factor IXa inhibitor with little or no activity against factors VIIIa, Xa, XIa, or XIIa. It is the only molecule in development that is an inhibitor of the intrinsic pathway in vitro and in vivo via FIX/IXa. TTP889 inhibits the ability of FIXa to form a fully functional tenase complex with FVIIIa. FIXa plays an integral role in the intrinsic coagulation pathway and a lesser role in the extrinsic pathway.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05132","Name":"ND1251","DrugType":"small molecule","HalfLife":"","Description":"ND1251 is an orally active phosphodiesterase-4 (PDE4) inhibitor, a mechanism clinically proven to play a role in alleviating symptoms of depression. ND1251 is a very potent compound with a large safety margin. ND1251 may also have applications in other disorders, such as Alzheimer's disease, mild cognitive impairment, multiple sclerosis and certain respiratory diseases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in depression.","Toxicity":"","MechanismOfAction":"ND1251 works by inhibiting the enzyme phophodiesterase. This increases the intracellular concentration of cAMP, a second messenger, which regulates enzymes involved in energy metabolism and cell division. This appears to play an important role in brain function.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05133","Name":"VP025","DrugType":"small molecule","HalfLife":"","Description":"VP025, a novel drug formulation based on phospholipid microparticles incorporating phosphatidylglycerol, can inhibit neuroinflammation. VP025 may inhibit immune system activation and protect motoneurons from injury. It also shows the ability to reduce inflammation across the blood-brain barrier and improve correlates of memory and learning function. It is being developed to target the chronic inflammation within the central nervous system that is associated with a number of neurological diseases, including Alzheimer’s disease, Parkinson’s disease, and amyotrophic lateral sclerosis (Lou Gehrig’s disease). It is considered to be a systemic anti-inflammatory and neuroprotective agent.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease and inflammatory disorders (unspecified).","Toxicity":"","MechanismOfAction":"VP025 is being developed to exert its anti-inflammatory effects using an cell clearance mechanism. VP025, a preparation of phospholipid microparticles containing\r\nphosphatidylglycerol, has been shown to exert anti-inflammatory effects in the brain, abrogating age-induced up-regulation of IL-1 beta and IL-1 beta -induced signalling, and reducing the activation of c-Jun N-terminal kinase (JNK), a kinase involved in the inflammatory process.","Pharmacodynamics":"VP025 may invoke the body's response ti cell surface phospholipid components, the result of which is an up-regulation of regulatory T cells promoting a suppression of inflammation. VP025 cross the blood-brain barrier, demonstrating potent anti-inflammatory activity and preserving the function of neural pathways necessary for memory and learning.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05134","Name":"CNF1010","DrugType":"small molecule","HalfLife":"","Description":"CNF1010, manufactured by Conforma Therapeutics is under development as a small molecule inhibitor of heat shock protein 90 (HSP90). It is developed for the treatment of several types of cancer, solid tumors or chronic myelogenous leukemia.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in leukemia (myeloid) and solid tumors.","Toxicity":"","MechanismOfAction":"CNF1010 is a small molecule inhibitor of heat shock protein 90 (HSP90). HSP90 is a molecular “chaperone” protein that controls protein shape or conformation, including that of key signaling molecules involved in the growth and survival of tumor cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05135","Name":"Vibriolysin","DrugType":"small molecule","HalfLife":"","Description":"Vibriolysin is a proteolytic enzyme secreted by the marine microorganism Vibrio proteolyticus. It is a new agent for enzymatic debridement, shown to rapidly and thoroughly hydrolyze burn wound eschar within full-thickness wounds.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in burns and burn infections.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05136","Name":"Bavituximab","DrugType":"biotech","HalfLife":"30 Hrs","Description":"Bavituximab is a chimeric Anti-PS monoclonal antibody analog which is used to potentially treat cancers and viral infections. It binds to phosphatidylserine and other exposed host cell lipids when induced by cellular stress. Additional analogs in the class include 3G4, 2aG4, 9d2 and Hu3g4.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in breast cancer, cancer/tumors (unspecified), HIV infection, hepatitis (viral, C), and solid tumors.","Toxicity":"Direct clearance of free virus and antibody-dependent cellular cytotoxicity of virus-infected cells appear to be the major mechanisms that contribute to the anti-viral effect of bavituximab","MechanismOfAction":"Bavituximab Anti-Cancer is a monoclonal antibody that binds to a basic component of the cell structure called a phospholipid that is exposed only on the surface of tumor blood vessel cells or on cells infected with certain viruses. Bavituximab binding to the tumor blood vessel cells alerts the body’s immune system to attack the tumor and its blood supply. This has been shown to inhibit tumor growth and development. Because in healthy cells the phospholipids are concealed inside the cell, the bavituximab does not bind to them. This targets the bavituximab to the malignant cells and potentially minimizes unwanted side effects. \r\n\r\nBavituximab Anti-Viral represents a unique approach to treating viral diseases by recognizing features found only on infected cells and enveloped viruses. Bavituximab is a monoclonal antibody that binds to a basic component of the cell structure called an aminophospholipid that is exposed on the surface of cells only when they are infected with certain viruses or when they are malignant. After binding to these infected cells, the drug alerts the body’s immune system to attack the infected cells. This makes infected cells particularly susceptible to bavituximab treatment, while potentially sparing healthy cells. Also, bavituximab binds to phospholipids which are derived from the host (human) cell and not the virus, which indicates it may not be susceptible to viral drug resistance. In addition to treating an active illness, bavituximab may also confer long-term immunity. Bavituximab induces a pro-inflammatory cytokine profile, defined as an increase in the ratio of TNF alpha and TGF beta. Stimulating an immune response is a key proposed anti-viral mechanism of action of bavituximab.\r\n\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05137","Name":"Lobeline","DrugType":"small molecule","HalfLife":"","Description":"An alkaloid that has actions similar to nicotine on nicotinic cholinergic receptors but is less potent. It has been proposed for a variety of therapeutic uses including in respiratory disorders, peripheral vascular disorders, insomnia, and smoking cessation. [PubChem]","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"Investigated for use/treatment in addictions.","Toxicity":"","MechanismOfAction":"Lobeline inhibits nicotine-evoked dopamine release and [3H]nicotine binding, thus acting as a potent antagonist at both alpha3beta2(*) and alpha4beta2(*) neuronal nicotinic receptor subtypes. However, lobeline does not release dopamine from its presynaptic terminal, but appears to induce the metabolism of dopamine intraneuronally. Reevaluation of the mechanism by which lobeline alters dopamine function reveals that its primary mechanism is inhibition of dopamine uptake and promotion of dopamine release from the storage vesicles within the presynaptic terminal, via an interaction with the tetrabenazine-binding site on the vesicular monoamine transporter (VMAT2). Thus, lobeline appears to perturb the fundamental mechanisms of dopamine storage and release. Based on its neurochemical mechanism, the ability of lobeline to functionally antagonize the neurochemical and behavioral effects of the psychostimulants amphetamine and methamphetamine was examined. Lobeline was found to inhibit the amphetamine-induced release of dopamine in vitro, and amphetamine-induced hyperactivity, drug discrimination, and self-administration.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05138","Name":"AdPEDF","DrugType":"biotech","HalfLife":"","Description":"AdPEDF is under development for the treatment of wet age-related macular degeneration (AMD). It has been shown to rapidly elevate the intraocular AdPEDF protein levels in the eye, inhibit abnormal blood vessel growth, and cause abnormal blood vessels to regress while protecting the eye’s photoreceptors.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in macular degeneration.","Toxicity":"","MechanismOfAction":"AdPEDF is an adenoviral-based vector containing the gene for human pigment epithelium-derived factor (PEDF), a protein found in the eye that normally regulates blood vessel growth in the eye and protects the cells of the retina from damage. AdPEDF is designed to deliver sustained levels of the\r\nhuman Pigment Epithelium-Derived Factor (PEDF) protein in the eye. PEDF is the eye’s key natural regulator of normal blood vessel growth and neuronal function and has been demonstrated to have dual potent antiangiogenic and\r\nneuroprotective properties.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05139","Name":"CR002","DrugType":"biotech","HalfLife":"","Description":"CR002 is a novel investigational fully human monoclonal antibody that blocks the activity of excess platelet-derived growth factor-D (PDGF-D), a target shown to play a role in kidney inflammation. This is a novel therapeutic approach to treat kidney inflammation.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in nephropathy.","Toxicity":"","MechanismOfAction":"CR002 blocks the activity of excess platelet-derived growth factor-D (PDGF-D), a target shown to play a role in kidney inflammation. Diabetic nephropathy, IgA nephropathy, and lupus nephritis are histologically characterized by glomerular mesangial cell proliferation and extracellular matrix accumulation. PDGF-D and its receptors play an important role in the pathogenesis of nephritis, based on their potent induction of mesangial cell proliferation and extracellular matrix accumulation shown both in vitro and in vivo. A fully human monoclonal antibody that neutralizes PDGF-D represents a novel therapeutic approach to block nephritides.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05140","Name":"RAV12","DrugType":"biotech","HalfLife":"","Description":"RAV12 is investigated for use/treatment in solid tumors. RAV12 is a solid. RAV12 is a chimeric antibody that recognizes RAAG12, an N-linked carbohydrate antigen found on gastric, colon, pancreatic, prostate, ovarian, breast, and kidney cancer cells.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"RAV12 is a high affinity IgG1 chimeric antibody. RAAG12, the antigen target of RAV12 is a carbohydrate moiety whose expression is limited to primates. The structure of the RAV12 epitope is Galß 1-3GlcNacß 1-3Gal. Multiple RAV12 binding sites exist per sugar side-chain resulting in a very high apparent affinity and a nearly unmeasurable dissociation rate. Adenocarcinomas arising in breast, endometrial, ovarian, lung and prostate, display the RAA12 antigen to varying degrees. RAAG12 expression in normal tissues is generally limited to the apical membranes of certain epithelia of the GI track and the hepatobiliary system. Preclinical in vitro and in vivo experiments have suggested that RAV12 may have several anti-tumor activities, including direct cytotoxicity by a mechanism termed oncosis, antibody-dependent cellular cytotoxicity, complement mediated cytotoxicity, and alterations of cell survivability through down regulation of growth factor receptors. Oncosis is a form of cell death, distinct from apoptosis, that is characterized by loss of membrane integrity, followed by cell and organellar swelling, and death.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05141","Name":"LY2181308","DrugType":"small molecule","HalfLife":"","Description":"LY2181308 is investigated in clinical trials for treating solid tumors. LY2181308 is a solid. LY2181308 is directed against a molecular target called survivin. LY2181308 is known to target baculoviral IAP repeat-containing protein 5. LY2181308 is an anti-sense oligonucleotide that potently downregulated survivin expression in human cancer cells derived from lung, colon, breast, prostate, ovary, cervix, skin and brain.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.","Toxicity":"","MechanismOfAction":"LY2181308 is directed against a molecular target called survivin. Survivin belongs to a family of proteins, called Inhibitor of Apoptosis Proteins, which play a key role in the regulation of apoptosis and cell division. The protein is expressed in a majority of human cancers but not in normal adult tissues, making it a potential target for cancer therapies. LY2181308 potently downregulates survivin expression in human cancer cells derived from lung, colon, breast, prostate, ovary, cervix, skin and brain.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05142","Name":"ND7001","DrugType":"small molecule","HalfLife":"","Description":"ND7001, a selective PDE2 inhibitor is in clinical trials for the treatment of depression. ND7001 is a solid. Known drug targets of ND7001 including phosphodiesterase 2A, cGMP-stimulated and cGMP-dependent 3',5'-cyclic phosphodiesterase. It is a new type of antidepressant drug with anxiolytic activity. It is the first representative of a new generation of psycho-active compounds potentially devoid of several problems seen with existing treatments.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in anxiety disorders and depression.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05143","Name":"OXI4503","DrugType":"small molecule","HalfLife":"","Description":"OXI4503 is investigated in clinical trials for treating cancer/tumors. OXI4503 is a solid. OXI4503 blocks and destroys tumor vasculature, resulting in extensive tumor cell death and necrosis. OXI4503 (combretastatin A1 di-phosphate / CA1P) is a unique and highly potent, dual-mechanism vascular disrupting agent (VDA). In addition, however, preclinical data demonstrates that OXI4503 is metabolized by oxidative enzymes (e.g., tyrosinase and peroxidases), which are elevated in many solid tumors and tumor infiltrates, to an orthoquinone chemical species that has direct cytotoxic effects on tumor cells. Preclinical studies have demonstrated that OXI4503 has (i) single-agent activity against a range of xenograft tumor models; and (ii) synergistic or additive effects when incorporated in various combination regimens with chemotherapy, molecularly-targeted therapies (including tumor-angiogenesis inhibitors), and radiation therapy.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"OXi4503 blocks and destroys tumor vasculature, resulting in extensive tumor cell death and necrosis. It induced the shutdown of tumor blood vessels and affected peripheral tumor regions less than central regions.","Pharmacodynamics":"OXi4503 blocks and destroys tumor vasculature, resulting in extensive tumor cell death and necrosis. In addition, however, preclinical data demonstrates that OXi4503 is metabolized by oxidative enzymes (e.g., tyrosinase and peroxidases), which are elevated in many solid tumors and tumor infiltrates, to an orthoquinone chemical species that has direct cytotoxic effects on tumor cells.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05144","Name":"PEV3A","DrugType":"small molecule","HalfLife":"","Description":"PEV3A is a prophylactic malaria vaccine that acts against various stages of the disease. It is a two-component vaccine that contains the virosome formulated peptide mimetics\r\nPEV301 and PEV302. The two synthetic peptide vaccine\r\ncomponents mimic the native structure of important antigens of the malaria parasite. The elicited\r\nantibodies are highly specific and able to inhibit the parasite’s ability to invade liver tissue in\r\nvitro.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in malaria.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05145","Name":"TH0318","DrugType":"small molecule","HalfLife":"","Description":"TH0318 is a stabilized analogue of human GLP-1 (glucagon-like peptide-1) under investigation for the treatment of type 2 diabetes.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 1 and 2.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05146","Name":"XL820","DrugType":"small molecule","HalfLife":"","Description":"XL820 is investigated for use/treatment in solid tumors. XL820 is a solid. The proteins that XL820 inhibit include platelet-derived growth factor receptor beta (PDGFR), mast/stem cell growth factor receptor KIT, vascular endothelial growth factor receptor 2, and platelet-derived growth factor receptor alpha, clinically validated targets implicated in a variety of human cancers. XL820 exhibits dose-dependent growth inhibition in models of breast carcinoma, gliomas and leukemia.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"XL820 inhibits KIT as well as VEGFR2 and PDGFR, clinically validated targets implicated in a variety of human cancers. In tumor models of breast carcinoma, glioma and leukemia, the compound exhibited dose-dependent growth inhibition and has been shown to cause tumor regression. XL820 demonstrated excellent activity in target-specific cellular functional assays. In biochemical and cellular assays, XL820 potently inhibits mutant forms of KIT that confer resistance to approved KIT inhibitors. XL820 has good oral bioavailability and has shown sustained inhibition of target RTKs in vivo following a single oral dose.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05147","Name":"CYT997","DrugType":"small molecule","HalfLife":"","Description":"CYT997 is an orally available vascular argeting and cytotoxic agent that has proven effective in animal models of a wide range of tumour types including breast, prostate and colon, as well as some leukemias.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"CYT997 is a vascular disrupting agent and a tubulin inhibitor for various cancers. The essential role of microtubules in cell division and the capacity of drugs that interact with the protein subunits of microtubules (α- and β-tubulin) to interfere with the cell cycle, have made tubulin a highly successful target for the development of therapeutic drugs, such as anti-cancer drugs and vascular disrupting agents.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05148","Name":"CG0070","DrugType":"small molecule","HalfLife":"","Description":"CG0070 is investigated in clinical trials for treating bladder cancer. CG0070 is a solid. CG0070 can potentially destroy cancer cells by two different mechanisms: direct cell killing by the virus and immune-mediated cell killing stimulated by GM-CSF. CG0070, an oncolytic virus therapy with specificity for multiple cancers, has been evaluated in numerous preclinical studies. It has been engineered to secrete GM-CSF, an immune stimulating hormone, which also serves as the adjuvant in cancer immunotherapy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bladder cancer.","Toxicity":"","MechanismOfAction":"CG0070 can potentially destroy cancer cells by two different mechanisms: direct cell killing by the virus and immune-mediated cell killing stimulated by GM-CSF. CG7870 is a genetically modified adenovirus designed to replicate in prostate cancer cells by utilizing prostate selective transcription elements to control the key early viral genes E1a and E1b. CG0070 is a replication competent adenovirus that has been shown pre-clinically to preferentially replicate in RB pathway defective cells and express the cytokine gene GM-CSF.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05149","Name":"XL844","DrugType":"small molecule","HalfLife":"","Description":"XL844 is investigated for the use and treatment solid tumors. XL844 is a solid. XL844 is a potent inhibitor of the checkpoint kinases CHK1 and CHK2, which induce cell cycle arrest in response to a variety of DNA damaging agents. Known drug targets of XL844 including serine/threonine-protein kinase Chk1 and serine/threonine-protein kinase Chk2.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.","Toxicity":"","MechanismOfAction":"XL844 is a potent inhibitor of the checkpoint kinases CHK1 and CHK2, which induce cell cycle arrest in response to a variety of DNA damaging agents. Activation of these checkpoints following DNA damage allows for DNA repair and protects tumor cells from the cytotoxic effects of chemo- and radio-therapy. XL844 abrogates these cell cycle blocks and enhances tumor cell killing by a wide variety of chemotherapeutic agents and radiation in in vitro assays. XL844 has good pharmacokinetic properties and oral bioavailability, and in in vivo tumor models increases the efficacy of chemotherapeutic agents without increasing systemic toxicity.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05150","Name":"CAD106","DrugType":"small molecule","HalfLife":"","Description":"CAD106 is an immunotherapeutic product in development for the treatment of Alzheimer's disease. It is designed to induce antibodies against the beta-amyloid-protein that inhibit the formation of plaques in the brain of Alzheimer's disease patients. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease.","Toxicity":"","MechanismOfAction":"CAD106 is designed to induce antibodies against the beta-amyloid-protein that inhibit the formation of\r\nplaques in the brain of Alzheimer's disease patients. CAD106 consists of two components, the Immunodrug carrier Qb coupled with a fragment of the beta-amyloid-protein. In animal studies it has been shown that treatment with CAD106 can block the formation of beta-amyloid plaques in the brain.\r\n","Pharmacodynamics":"CAD106 can block the formation of beta-amyloid plaques in the brain. Since the formation of such plaques is considered a hallmark of the disease, CAD106 may offer the potential to advance the treatment of Alzheimer's disease.\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05151","Name":"TST10088","DrugType":"small molecule","HalfLife":"","Description":"TST10088 is a recombinant variant of a plant toxin belonging to the family of class II ribosome inactivating proteins. These molecules efficiently kill cells by activating preprogrammed death pathways known as apoptosis. TST10088 has been designed and engineered by Twinstrand to contain a peptide switch that is specifically cleaved by the matrix metalloproteinases which are known to be involved in tumor growth and metastasis. Cleavage of the peptide switch activates the prodrug causing ribosomal inactivation and the death of cancerous cells.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05152","Name":"NGX267","DrugType":"small molecule","HalfLife":"","Description":"NGX267 is a muscarinic agonist. It is developed for the treatment of Alzheimer’s disease and has shown the potential to both reduce symptoms and slow disease progression. \r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease and schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"NGX267 has been shown to stimulate M1 receptors in a fashion analogous to acetylcholine, a neurotransmitter essential for memory and cognitive function that is depleted when neurons, or brain cells, degenerate. The M1 receptor plays an important role in memory and cognitive processing. Its activation has also been linked to decreases in two biochemical processes, AB production and tau protein phosphorylation, both of which are involved in the creation of the neurofibrillary tangles and amyloidplaques that are major histopathological hallmarks of Alzheimer's disease. By selectively enhancing M1 cholinergic neurotransmission in the brain, NGX267 may offer advantages over current therapies for Alzheimer's disease due to the relative preservation of this system in patients who are clinically symptomatic. \r\n\r\n","Pharmacodynamics":"Due to its mechanism of action, NGX267 may be simultaneously effective in treating the memory and cognitive disturbances experienced by Alzheimer's patients and in reducing the creation of neurotoxic proteins, thereby delaying disease progression.\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05153","Name":"XL184","DrugType":"small molecule","HalfLife":"","Description":"XL184 is an orally bioavailable, small molecule receptor tyrosine kinase (RTK) inhibitor with potential antineoplastic activity. XL184 strongly binds to and inhibits several tyrosine receptor kinases. Specifically, XL184 appears to have a strong affinity for the hepatocyte growth factor receptor (Met) and vascular endothelial growth factor receptor 2 (VEGFR2), which may result in inhibition of tumor growth and angiogenesis, and tumor regression. This agent has also been shown to inhibit mast/stem cell growth factor (KIT), FMS-like tyrosine kinase 3 (Flt3) and tyrosine-protein kinase receptor (Tie-2). ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"XL184 strongly binds to and inhibits several tyrosine receptor kinases. Specifically, XL184 appears to have a strong affinity for the hepatocyte growth factor receptor (Met) and vascular endothelial growth factor receptor 2 (VEGFR2), which may result in inhibition of tumor growth and angiogenesis, and tumor regression. This agent has also been shown to inhibit mast/stem cell growth factor (KIT), FMS-like tyrosine kinase 3 (Flt3) and tyrosine-protein kinase receptor (Tie-2).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05154","Name":"PA824","DrugType":"small molecule","HalfLife":"","Description":"PA-824 is a nitroimidazole, a class of novel anti-bacterial agents. As a potential TB therapy, it has many attractive characteristics - most notably its novel mechanism of action, its activity in vitro against all tested drug-resistant clinical isolates, and its activity as both a potent bactericidal and a sterilizing agent in mice. In addition, the compound shows no evidence of mutagenicity in a standard battery of genotoxicity studies, no significant cytochrome P450 interactions, and no significant activity against a broad range of Gram-positive and Gram-negative bacteria.","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"Investigated for use/treatment in bacterial infection and tuberculosis.","Toxicity":"","MechanismOfAction":"Although the mechanism of action of PA824 is not well understood, it appears that the compound functions as a prodrug requiring reductive activation of the aromatic nitro group that is mediated, at least in part, by a specific glucose-6-phosphate dehydrogenase or its deazaflavin cofactor.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05155","Name":"CR665","DrugType":"small molecule","HalfLife":"","Description":"CR665 is the lead clinical development candidate from a series of highly selective peripheral kappa opioid receptor agonists. In preclinical studies, CR665 was highly selective for the peripheral kappa opioid receptor. Preclinical animal studies suggest that CR665 is a potent analgesic compound. In addition, unlike currently marketed opioids, CR665 does not produce inhibition of intestinal transit (ileus), induce respiratory depression, or elicit signs of euphoria or addiction in animal models. Preclinical studies also indicate that CR665 possesses anti-inflammatory activities.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"CR665 was highly selective for the peripheral kappa opioid receptor. It is intrinsically poor at penetrating the blood-brain barrier, which decreases the likelihood of CNS-mediated side effects. By acting with unprecedented selectivity at pain relieving receptors on peripheral nerves, and avoiding receptors in the central nervous system and gastrointestinal tract, CR665 has the potential to provide pain relief with minimal side effects.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05156","Name":"SL017","DrugType":"small molecule","HalfLife":"","Description":"SL017 formulated as a topical gel, has been combined with a widely available light source for permanent removal of unwanted hair and for treatment of actinic keratosis","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in acne, actinic keratosis, cancer/tumors (unspecified), keratoses, and skin infections/disorders.","Toxicity":"","MechanismOfAction":"SL017 is applied to human skin, allowed to penetrate into the target areas and is then illuminated with light of a specific wavelength in the red spectrum. Once illuminated, the non-toxic, SL017 is transformed into an extremely potent cytotoxic agent which can selectively destroy diseased tissue. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05157","Name":"KC706","DrugType":"small molecule","HalfLife":"","Description":"KC706 is a novel anti-inflammatory drug that works by inhibiting the activity of p38 MAP kinase. KC706 holds potential to treat inflammatory conditions such as rheumatoid arthritis, psoriasis, inflammatory bowel disease and cardiovascular disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders, inflammatory bowel disease, inflammatory disorders (unspecified), psoriasis and psoriatic disorders, and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"KC706 is a novel anti-inflammatory drug that works by inhibiting the activity of p38 MAP kinase. p38 MAP kinase is a key component of the signaling pathway that regulates the body's production of inflammatory mediators, including TNFα and IL-1 beta. It has been demonstrated to be truly disease-modifying: it stops the destruction of joint tissue that is the underlying disease pathology in rheumatoid arthritis.","Pharmacodynamics":"KC706 has been demonstrated to be truly disease-modifying: it stops the destruction of joint tissue that is the underlying disease pathology in rheumatoid arthritis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05158","Name":"PM02734","DrugType":"small molecule","HalfLife":"","Description":"PM02734 is a marine derived compound. PM02734 as a new antiproliferative drug demonstrating activity against a broad spectrum of tumor types: breast, colon, pancreas, lung and prostate, among others.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05159","Name":"CCX915","DrugType":"small molecule","HalfLife":"","Description":"CCX915 is developed by ChemoCentryx which targets the chemokine receptor CCR2 and is in phase 1 of clinical trial for the treatment of Multiple Sclerosis and Neurologic Disorders. The CCR2 receptor is thought to be of central importance to inflammatory diseases, such as multiple sclerosis (MS), Type II diabetes and atherosclerosis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in multiple sclerosis and neurologic disorders.","Toxicity":"","MechanismOfAction":"Mechanism of action indicates that CCX915 selectively inhibits CCR2-mediated migration of inflammatory white blood cells, but do not inhibit migration mediated by other chemokine receptors, even when administered at high concentrations. Based on the high degree of target specificity observed, CCX915 has the potential to avoid the undesirable side effects of traditional immunosuppressive therapies used in MS and other autoimmune disease indications.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05160","Name":"PRX302","DrugType":"small molecule","HalfLife":"","Description":"PRX302 is being developed for the treatment of localized prostate cancer and also benign prostatic hyperplasia. PRX302 is delivered locally to the prostate under ultrasound guidance.\r\n\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in benign prostatic hyperplasia, cancer/tumors (unspecified), prostate cancer, prostate disorders, and solid tumors.","Toxicity":"","MechanismOfAction":"PRX302 is a targeted pro-drug that turns into a potent anti-cancer agent once activated by the enzyme, prostate specific antigen (PSA), produced in high levels by prostate cancer and hyperplastic prostate cells. Once activated, PRX302 destroys the cells by punching holes in the cell membrane.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05161","Name":"Elafin","DrugType":"small molecule","HalfLife":"","Description":"Elafin is a human protein that is produced naturally in the skin, lung and breast, protecting the respective tissue from destruction by the immune system. Elafin’s ability to block the activity of destructive enzymes that are involved in inflammatory reactions makes it a highly promising active compound for the treatment of inflammatory lung diseases or severe reperfusion injuries occurring after heart attacks, serious injuries and organ transplantation. The excellent tolerability of Elafin in human subjects was demonstrated in a Phase I clinical single dose escalating study.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in inflammatory disorders (unspecified).","Toxicity":"","MechanismOfAction":"Elafin is able to abrogate lipopolysaccharide-induced production of monocyte chemotactic protein 1 in monocytes by inhibiting AP-1 and NFkappaB activation. Due to its selective expression at mucosal surfaces as well as in alveolar macrophages, monocytes and neutrophils, the ability of Elafin to inhibit the lipopolysaccharide signaling pathway may be important in disease states such as cystic fibrosis, pneumonia, and acute respiratory distress syndrome. The inhibition of two key inflammatory pathways confirms the importance of Elafin as a mediator of the innate immune response.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05162","Name":"GSK716155","DrugType":"small molecule","HalfLife":"","Description":"GSK716155 (formerly Albugon), a novel long-acting form of glucagon-like peptide-1 (GLP-1), is in clinical trials for the treatment of Type 2 diabetes. It was created using Human Genome Sciences' proprietary albuminfusion technology, which involves fusing the gene that expresses human albumin to the gene that expresses a therapeutically active protein.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"GSK716155, a GLP-1 receptor agonist, has been shown to have multiple physiologic activities in the central nervous system and gastrointestinal system that could lower A1C. It increases peripheral glucose uptake, enhances insulin secretion, decreases glucagon secretion, delays gastric emptying, reduces food intake and induces satiety at CNS.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05163","Name":"PV903","DrugType":"small molecule","HalfLife":"","Description":"PV903 is a self administered vaginally delivered recombinant protein for the treatment of recurrent miscarriage, resulting from an intolerant immune response to the developing foetus.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in infertility.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05164","Name":"CMLVAX100","DrugType":"biotech","HalfLife":"","Description":"CMLVAX100 is a vaccine targeting the BCR-ABL-derived p210 fusion protein which reduces residual disease in some patients with chronic myeloid leukemia. It is developed by Breakthrough Therapeutics and has completed phase I of its clinical trial.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in leukemia (myeloid).","Toxicity":"","MechanismOfAction":"CMLVAX100 is a BCR-ABL peptide vaccine designed to reduce persistent disease in patients with chronic myeloid leukemia (CML) whom have had stable disease during conventional therapy. Targeting the BCR-ABL breakpoint with vaccine based medicines is an important approach to those with detectable CML. Breakthrough has optimized the components of VAX100 to enhance its activity.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05165","Name":"LY2275796","DrugType":"small molecule","HalfLife":"","Description":"LY2275796 is a second-generation antisense anti-cancer drug candidate for clinical development. LY2275796 targets eukaryotic initiation factor- 4E (eIF-4E), a protein involved in the translation of key growth and survival factors that drive tumor progression, angiogenesis and metastases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.","Toxicity":"","MechanismOfAction":"LY2275796 targets eIF-4E, a protein that is upregulated or overexpressed in a variety of cancers, including breast, head and neck, prostate, lung, bladder, colon, thyroid and non-Hodgkin's lymphomas. The molecule facilitates the synthesis of tumor angiogenic factors (factors that facilitate the growth of new blood vessels to support the development and progression of tumors), growth factors and survival factors by selectively enhancing their translation. Based on scientific literature, there is a strong indication that eIF-4E may act as a critical \"switch\" in cancer progression.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05166","Name":"APD668","DrugType":"small molecule","HalfLife":"","Description":"APD668 is a novel, highly potent and orally active glucose-dependent insulinotropic receptor (GDIR) agonist intended to more efficiently stimulate insulin release by beta cells in response to elevated blood glucose levels, and to also avoid hypoglycemia. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"The GDIR mechanism is glucose dependent: in preclinical studies, GDIR agonists only lowered blood glucose when it rose above normal levels, such as after a meal. Therefore, unlike the glucose-insensitive sulfonylureas, Arena's GDIR agonists are not expected to lower normal fasting blood glucose levels or cause hypoglycemia. In addition, GDIR stimulation has been found to increase the levels and activity of intracellular factors thought to be involved in the preservation of beta cells. \r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05167","Name":"PDPSC18","DrugType":"biotech","HalfLife":"","Description":"PDPSC18 is therapeutic DNA vaccine designed to fight chronic infections with the Hepatitis B virus, entering phase I clinical trials.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hepatitis (viral, B).","Toxicity":"","MechanismOfAction":"It has been shown that Hepatitis B surface (HBsAg) and core antigen (HBcAg) induces envelope-and core specific CD4+ and CD8+ T-cell responses and that the response against the Hepatitis B core antigen (HBcAg), is often associated with viral control. The combination of these two genes in PowderMed's pdpSC18 HBV therapeutic DNA vaccine, thus provides a potential mechanism to both clear the virus via the CD8+ response and to overcome unresponsiveness in chronically infected patients via the CD4+ response.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05168","Name":"EC145","DrugType":"small molecule","HalfLife":"","Description":"EC145 is a folate-targeted chemotherapeutic conjugate (folate vitamin + vinca alkaloid) in clinical stage development as a treatment for folate-receptor positive cancers.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"EC145 minimizes the off-target toxicity by delivering the vinca molecule directly and specifically to cancer cells that over-express the folate-receptor. Once delivered to the cancer cell surface, EC145 is internalized into the cancer cell via endocytosis, a natural cellular process. Once inside the cell, Endocyte’s proprietary linker technology releases the chemotherapy to eliminate the cancer cell.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05169","Name":"AT9283","DrugType":"small molecule","HalfLife":"","Description":"AT9283 is an aurora Kinase inhibitor developed by Astex Therapeutics for the treatment of cancer. It was discovered and developed internally using Astex’s fragment-based drug discovery platform, Pyramid.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), leukemia (myeloid), and solid tumors.","Toxicity":"","MechanismOfAction":"AT9283 is an inhibitor of mitosis (cell division) and is the second most progressed drug candidate in the Astex portfolio of novel molecularly targeted cancer drugs. All of Astex’s current products have been discovered internally using its proprietary drug discovery approach. AT9283 is a potent inhibitor of the Aurora A and B kinases and has been shown to arrest tumour growth in a range of tumour models. Aurora kinases play a key role in mitotic checkpoint control in cell division. Both Aurora A and B are over-expressed in many human tumours and are believed to be excellent targets for anti-cancer therapy.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05170","Name":"Benzimate","DrugType":"small molecule","HalfLife":"","Description":"Benzimate is the lead compound selected from a series of compounds known as benzimidazoles. The anti-cancer and anti-viral activity of the benzimidazoles was originally investigated by the Proctor \u0026 Gamble Company beginning in the 1990's. It is currently under investigation by AmpliMed and is in phase I of clinical trial.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"Benzimate is a systemic fungicide with antitumor activity against a broad spectrum of tumors both in vitro and in vivo such as pancreas, prostate, colon, and breast. Studies indicate that benzimate may interfere with mitosis and thus may disrupt or inhibit microtubule function resulting in apoptosis. Benzimate is active in p53 positive and negative tumor cell lines and in tumor cells with multi-drug resistance to other agents. Further, it appears to induce cell cycle arrest at the G2/M phase portion of the cell cycle.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05171","Name":"E2012","DrugType":"small molecule","HalfLife":"","Description":"E2012 is a gamma secretase modulator that is being evaluated as a potential new treatment for Alzheimer's disease.","Classification":{"Description":"This compound belongs to the fatty acid esters. These are carboxylic ester derivatives of a fatty acid.","DirectParent":"Fatty Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acid Esters","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease.","Toxicity":"","MechanismOfAction":"Gamma secretase plays a role in the production of beta-amyloid, a major component of plaque in the brain, which is thought to be a cause of Alzheimer's disease. E2012 is a new chemical entity discovered by Eisai and, in preclinical (laboratory) research, has shown some potential to reduce the production of beta-amyloid by modulating the function of gamma secretase.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05172","Name":"AT3022","DrugType":"small molecule","HalfLife":"","Description":"AT3022, the Altea Therapeutics’s fentanyl citrate transdermal patch designed to provide safe and rapid management of moderate to severe chronic pain. \r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"AT3022 utilizes the Company’s proprietary PassPort™ Transdermal System, developed to deliver watersoluble small molecules, proteins, carbohydrates and oligonucleotides across the skin. AT3022 is designed to provide a safer and more efficacious alternative to the currently marketed fentanyl patches that can only deliver the highly lipid-soluble base form of fentanyl.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05173","Name":"PTC299","DrugType":"small molecule","HalfLife":"","Description":"PTC299 is a novel, orally administered small-molecule designed to inhibit the production of vascular endothelial growth factor (VEGF) in tumors. Overexpression of VEGF plays a key role in multiple diseases including cancer and macular degeneration. PTC299 was discovered through PTC's GEMS technology by targeting the post-transcriptional processes that regulate VEGF formation, and is currently being developed for the treatment of cancer. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.","Toxicity":"","MechanismOfAction":"PTC299 was designed to inhibit VEGF production in tumors by targeting the post-transcriptional control processes that regulate VEGF formation. Because PTC299 inhibits VEGF production, its action occurs at a different point in the VEGF pathway than therapies, such as Avastin® or Sutent®. PTC299 may be active both as a single agent or when used in combination with other anti-angiogenic agents or with chemotherapy agents for the treatment of cancers.","Pharmacodynamics":"PTC299 demonstrated a broad range of activity in blocking VEGF synthesis in multiple tumor types, including breast, cervical, colorectal, fibrosarcoma, gastric, lung, melanoma, neuroblastoma, ovarian, pancreatic, prostate and renal cell cancer lines. PTC299 as a monotherapy significantly reduced VEGF concentrations in tumors and plasma, reduced tumor blood vessel density, and substantially impeded tumor progression.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05174","Name":"CX501","DrugType":"small molecule","HalfLife":"","Description":"Cx501 is used to treat epidermolysis bullosa (EB), a rare genetic condition which can lead to contraction of the joints, fusion of fingers and toes, contraction of the mouth membranes and narrowing of the oesophagus. It is developed by Cellerix and is in phase I of clinical trials.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in skin infections/disorders.","Toxicity":"","MechanismOfAction":"Cx501 is an artificial skin graft obtained from bringing together keratinocytes from the patient and skin fibroblasts from a healthy donor. Both components are embedded in a plasma matrix which provides the adequate environment for natural healing to occur. These healthy fibroblasts provide the patient with the structural protein that is lacking in the skin of Epidermolysis bullosa (EB)patients. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05176","Name":"CMX001","DrugType":"small molecule","HalfLife":"","Description":"CMX001 is an oral antiviral drug candidate for the treatment of smallpox infections and complications resulting from smallpox vaccine. It is a lipid mimic of cidofovir formed by linking a lipid 3-hexadecyloxy-1-propanol, to the phosphonate group of cidofovir. CMX001 is designed to cross cellular membranes by passive diffusion (vida supra, Phospholipid Mimics Designed to Facilitate Uptake in the Small Intestine). Uptake by this mechanism should be more efficient and lead to a more rapid accumulation of cidofovir in the cytoplasm of the target cell. Once it has reached the cytoplasm, CDV is phosphorylated by host cell nucleoside kinases to form the active antiviral agent cidofovir diphosphate.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in viral infection.","Toxicity":"","MechanismOfAction":"An inhibition of DNA polymerase.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05177","Name":"DG051","DrugType":"small molecule","HalfLife":"","Description":"DG051 is a novel small-molecule inhibitor of leukotriene A4 hydrolase (LTA4H), the protein made by one of the genes in the leukotriene pathway that has been shown to link to risk of heart attack. DG051 is designed to decrease risk of heart attack by decreasing the production of leukotriene B4 (LTB4), an end product of the leukotriene pathway and a potent promoter of inflammation. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in myocardial infarction.","Toxicity":"","MechanismOfAction":"DG051 is an inhibitor of leukotriene A4 hydrolase (LTA4H)which has been shown to link to risk of heart attack, and is directly involved in the synthesis of LTB4. By inhibiting LTA4H, DG051 decreases risk of heart attack by decreasing the production of leukotriene B4 (LTB4), an end product of the leukotriene pathway and a potent promoter of inflammation.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05178","Name":"DLO6001","DrugType":"small molecule","HalfLife":"","Description":"DL6001 is developed by DanioLabs using proprietary zebrafish technology to treat Parkinson’s disease symptoms including sialorrhoea and hyperhidrosis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in parkinson's disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05179","Name":"DLO6002","DrugType":"small molecule","HalfLife":"","Description":"DLO6002 is developed by Summit Corporation and is in phase I of clinical trials for the treatment of Parkinson's disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in parkinson's disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05180","Name":"LX6171","DrugType":"small molecule","HalfLife":"","Description":"LX6171 is an oral drug candidate that was generated by Lexicon medicinal chemists and is being developed to treat disorders characterized by cognitive impairment, such as Alzheimer's disease, schizophrenia or vascular dementia.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease, attention deficit/hyperactivity disorder (ADHD), dementia, neurologic disorders, and schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"The target of LX6171 is a membrane protein that is expressed exclusively in the central nervous system. Its activity is associated with synaptic vesicles and presynaptic membranes.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05181","Name":"BTA798","DrugType":"small molecule","HalfLife":"","Description":"BTA798 is an antiviral for the treatment of HRV, the common cold virus, known to cause significant clinical complications in sufferers of Asthma and Chronic Obstructive Pulmonary Disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in viral infection.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05182","Name":"AS1409","DrugType":"small molecule","HalfLife":"","Description":"AS1409 is a genetically engineered fusion protein made up of two distinct components. One is the cytokine IL12, which has anti-cancer activity. The other is an antibody that targets tumours. It is developed by Antisoma is in a phase I of clinical trial for the treatment of renal cancer and melanoma.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in kidney cancer and melanoma.","Toxicity":"","MechanismOfAction":"AS1409 is a fusion protein with two components. One is the cytokine IL12, which is known to have anti-cancer effects. The other is an antibody that binds to EDB fibronectin, a protein associated with tumour blood vessels in a wide range of cancers. AS1409 is designed to be a targeted therapy that delivers IL12 specifically to tumours. Xenograft studies in mice with prostate, colorectal and skin cancers have shown that AS1409 blocks cancer growth more effectively than an equivalent dose of untargeted IL12. AS1409 is also expected to cause fewer side effects than IL12 alone.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05183","Name":"MLN0415","DrugType":"small molecule","HalfLife":"","Description":"MLN0415 is a novel, small molecule IKK2 inhibitor, discovered by Millennium scientists. In preclinical studies, MLN0415 was shown to decrease NF-kB activation and down-regulate the expression of a number of inflammatory proteins. Because inflammatory proteins play a critical role in inflammation and drive the inflammatory response to disease, controlling these proteins may prevent or slow disease progression. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in inflammatory disorders (unspecified).","Toxicity":"","MechanismOfAction":"MLN0415 is an oral, highly selective, small molecule\r\ninhibitor of IKK2, which targets a major inflammatory pathway. MLN0415 was shown to decrease NF-kB activation and down-regulate the expression of a number of inflammatory proteins. Because inflammatory proteins play a critical role\r\nin inflammation and drive the inflammatory response to disease, controlling these proteins may prevent or slow disease progression.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05184","Name":"XL228","DrugType":"small molecule","HalfLife":"","Description":"XL228 is a novel anticancer compound designed to inhibit the insulin-like growth factor type-1 receptor (IGF1R), Src and Abl tyrosine kinases – targets that play crucial roles in cancer cell proliferation, survival and metastasis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in leukemia (lymphoid) and leukemia (myeloid).","Toxicity":"","MechanismOfAction":"XL228 potently inhibits the T315I mutant form of ABL, which is resistant to inhibition by other targeted therapies approved for chronic myelogenous leukemia. XL228 also targets IGF1R, which is a receptor tyrosine kinase that is highly expressed and activated in a broad range of human tumors and is thought to promote tumor growth, survival and resistance to chemotherapeutic agents. XL228 showed efficacy in a variety of solid tumor xenograft models.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05185","Name":"TRO19622","DrugType":"small molecule","HalfLife":"","Description":"TRO19622 is a cholesterol-like small molecule that has demonstrated a remarkable neuroprotective profile in a battery of both in vitro and in vivo preclinical models. For example, it has demonstrated the ability to prevent neurodegeneration, enhance nerve function and accelerate neuroregeneration following nerve trauma. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in neurologic disorders.","Toxicity":"","MechanismOfAction":"TRO19622 interacts with a physiologically relevant target: the mitochondrial permeability transition pore (mPTP).\r\nMitochondria are central mediators of cell death and are implicated in most if not all neurodegenerative diseases regardless of the initiating factor: genetic mutations,\r\nexcitotoxicity, reactive oxygen species, ischemia, chemical toxicity, etc. Mitochondria play diverse roles in all cells.\r\nIn neurons, especially near synaptic sites, mitochondria are essential calcium-buffering organelles in areas where membrane excitability leads to large influx of calcium through calcium channels. Mitochondria also produce the ATP necessary for microtubule-based axoplasmic transport and maintaining the activity of ion and nutrient transporters. If a neuron fails to establish or maintain its functional role, mitochondria are responsible for eliminating it\r\nby releasing apoptotic factors. TRO19622, by interacting with protein components of the mPTP, prevents the release of\r\nthese apoptotic factors and therefore protects the neuron. This mechanism of action may lead to a general neuroprotective activity with utility in other therapeutic indications.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05186","Name":"SQ109","DrugType":"small molecule","HalfLife":"","Description":"SQ109 is an orally active, small molecule antibiotic for treatment of pulmonary TB. Currently in Phase I clinical trials, SQ109 could replace one or more drugs in the current first-line TB drug regimen, simplify therapy, and shorten the TB treatment regimen.","Classification":{"Description":"This compound belongs to the monoterpenes. These are compounds contaning a chain of two isoprene units.","DirectParent":"Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"Investigated for use/treatment in bacterial infection, infectious and parasitic disease (unspecified), and tuberculosis.","Toxicity":"","MechanismOfAction":"With a mechanism of action distinct from other antibiotics used in TB therapy, SQ109 inhibits cell wall synthesis and acts on multiple cellular pathways in a select group of microorganisms.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05187","Name":"GFT505","DrugType":"small molecule","HalfLife":"","Description":"GFT505 is a multimodal and pluripotent medication for treatment of atherogenic dyslipidemia for an overweight patient with or without diabetes. It is an oral treatment that acts on the 3 sub-types of PPAR (PPARa, PPARg, PPARd) with a preferential action on PPARa. \r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in atherosclerosis and diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"GFT505 is an oral treatment that acts on the 3 sub-types of PPAR (PPARa, PPARg, PPARd) with a preferential action on PPARa. It has a sophisticated mechanism of action. It is able to differentially recruit cofactors to the nuclear receptor, which subsequently lead to differential regulation of genes and biological effect. Therefore, the ability to identify and profile the activity of selective nuclear receptor modulator (SNuRMs) is a powerful approach to select innovative drug candidates with improved efficacy and diminished side effects. These pluripotent and multimodal molecules have significant positive effects on obesity, insulin-resistance and diabetes, atherosclerosis, inflammation, and the lipid triad (increasing of HDL cholesterol, lowering of triglycerides and LDL cholesterol).\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05188","Name":"KD3010","DrugType":"small molecule","HalfLife":"","Description":"KD3010 is a small molecule peroxisome proliferator-activator receptor delta (PPAR Delta) agonist for the treatment of metabolic disorders, including obesity.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in metabolic disease and obesity.","Toxicity":"","MechanismOfAction":"KD3010 is a potent, orally administered, peroxisome proliferator-activated receptor-delta (PPARδ) agonist that exhibits ~1000-fold selectivity over PPARγ and PPARα. PPARδ regulates lipid catabolism and energy utilization in peripheral tissues. Activation of PPARδ reduces central adiposity, improves atherogenic lipid profiles, and increases glucose utilization/insulin sensitivity.\r\n\r\n","Pharmacodynamics":"By activating PPAR Delta, which regulates lipid catabolism and energy utilization in peripheral tissues, KD3010 is designed to address the underlying metabolic derangement of these disorders. KD3010 results in significant reduction of central adiposity, atherogenic lipid profiles, and improved glucose utilization/insulin sensitivity.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05189","Name":"EPC2407","DrugType":"small molecule","HalfLife":"","Description":"EPC2407 is a novel small molecule vascular disruption agent and apoptosis inducer for the treatment of patients with advanced solid tumors and lymphomas. It is intended for the treatment of advanced cancer patients with solid tumors that are well vascularized. These tumors\r\ninclude the frequently occurring cancers of the lung, gastrointestinal tract, ovaries, and breast.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"The molecule has been shown to induce tumor cell apoptosis and selectively inhibit growth of proliferating cell lines, including multi-drug resistant cell lines.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05190","Name":"XL281","DrugType":"small molecule","HalfLife":"","Description":"XL281 is a novel anticancer compound designed to potently inhibit the RAS/RAF/MEK/ERK signaling pathway. Mutational activation of RAS occurs in about 30 percent of all human tumors, including non-small cell lung, pancreatic, and colon cancer. XL281 is a specific inhibitor of RAF kinases, including the mutant form of B-RAF, which is activated in 60 percent of melanomas, 24-44 percent of thyroid cancers, and 9 percent of colon cancers.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"XL281 is a novel small molecule drug designed to specifically inhibit RAF kinases, which lie immediately downstream of RAS and are key components of the RAS/RAF/MEK/ERK kinase signaling pathway. Genetic lesions that activate this pathway are common in human tumors, with activating mutations in K-Ras occurring in 30 percent of tumors and activating mutations in B-RAF occurring in approximately 60 percent of melanomas. The RAS/RAF/MEK/ERK pathway also plays a key role in the transmission of growth-promoting signals downstream of receptor tyrosine kinases. This suggests that deregulation of this pathway plays a pivotal role in the progression of many human tumors, and that inhibition of the pathway may provide clinical benefit in the treatment of cancer. In preclinical studies, XL281 showed potent inhibition of B-RAF, mutationally activated B-RAF and C-RAF, and did not interact with kinases outside of the RAF family. XL281 displays high oral bioavailability and strongly inhibits RAS/RAF/MEK/ERK signaling in human tumor models.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05191","Name":"Atl146e","DrugType":"small molecule","HalfLife":"","Description":"ATL146e is an anti-inflammatory compounds which is an agonist of A2A adenosine receptors. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in inflammatory disorders (unspecified).","Toxicity":"","MechanismOfAction":"ATL146e can inhibit neutrophil, macrophage and T cell activation and thereby reduce inflammation caused autoimmune responses. It also inhibits TNF-α and IL-1/3 production, neutrophil accumulation in gastric injury induced by NSAIDS (such as aspirin) without affecting mucosal prostaglandin E2 (PGE2) concentration. The effects of adenosine A2A agonists can be enhanced by type IV phosphodiesterase inhibitors, such as rolipram.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05192","Name":"MB07811","DrugType":"small molecule","HalfLife":"","Description":"MB07811 is the first of a novel class of product candidates discovered by Metabasis designed to lower serum cholesterol and triglycerides. MB07811, a small molecule that is administered orally, has been extensively studied preclinically and is currently undergoing clinical testing. MB07811 combines a novel thyroid hormone receptor agonist with the Company's novel HepDirect liver targeting prodrug technology. The combination of selectivity for the beta form of the receptor, liver targeting and other structural characteristics that limit extra-hepatic activity is designed to provide significant efficacy while avoiding side effects associated with activation of thyroid hormone receptors outside the liver.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hyperlipidemia.","Toxicity":"","MechanismOfAction":"Studies indicate that targeting TR agonists to the liver has the potential to lower both LDL-cholesterol (the \"bad\" cholesterol) and both hepatic and plasma triglyceride levels.","Pharmacodynamics":"MB07811's TR beta receptor selectivity and liver targeting could harness the efficacy of the approach, while avoiding extra-hepatic activation of TR alpha and TR beta receptors that may lead to therapy limiting side effects. These benefits may include: reduction of LDL and total cholesterol, Reduced liver and serum triglycerides, reduced Lp(a) and enhanced clearance of liver fat.\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05193","Name":"R7128","DrugType":"small molecule","HalfLife":"","Description":"R7128 is a polymerase inhibitor being developed for the treatment of chronic hepatitis C. R7128 is a prodrug of PSI-6130, which demonstrated excellent potency in preclinical studies. PSI-6130 is a pyrimidine nucleoside analog inhibitor of HCV RNA polymerase, an enzyme that is necessary for hepatitis C viral replication.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05194","Name":"KB002","DrugType":"small molecule","HalfLife":"","Description":"KB002 is an engineered human IgG1k antibody engineered human. It is developed for the treatment of autoimmune diseases, initially rheumatoid arthritis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"KB002 is an engineered human monoclonal antibody. The drug targets and neutralizes the activity of granulocyte macrophage colony-stimulating factor, (GM-CSF), a pro-inflammatory cytokine/growth factor that stimulates the survival, proliferation, differentiation and function of several types of white blood cells, including the monocytes/macrophages that play a key role in the tissue damage associated with many autoimmune diseases.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05195","Name":"ADC4022","DrugType":"small molecule","HalfLife":"","Description":"ADC4022 is an investigational medicine for the treatment of Chronic Obstructive Pulmonary Disease (COPD) and severe asthma.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma and chronic obstructive pulmonary disease (COPD).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05196","Name":"ACR325","DrugType":"small molecule","HalfLife":"","Description":"ACR325 is developed for the treatment of Parkinson’s disease and psychoses, including bipolar disorder, for which disease existing therapies have only limited effect and considerable adverse side effects. ACR325 is a dopaminergic stabiliser, which has demonstrated promising results in disease models for motor functions and psychoses.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in affective disorders, bipolar disorders, and psychosis.","Toxicity":"","MechanismOfAction":"ACR325 is a dopaminergic stabiliser. The compound significantly increases the level of dopamine and noradrenalin in the forebrain and concurrently inhibits the over-activity of dopamine in other regions of the brain without unwanted inhibitory effect on motor activity.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05197","Name":"Sofalcone","DrugType":"small molecule","HalfLife":"","Description":"Sofalcone is a mucosal protective agent that has been reported to inhibit growth of Helicobacter pylori. on adherence, production of vacuolating toxin (VT), and induction of interleukin-8 (IL-8) secretion by H. pylori.","Classification":{"Description":"This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.","DirectParent":"Chalcones and Dihydrochalcones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Chalcones and Dihydrochalcones"},"Indication":"Investigated for use/treatment in gastroenteritis and ulcers.","Toxicity":"","MechanismOfAction":"Sofalcone has been reported to have an anti-bacterial effect on H. pylori and the inhibitory effects against the pathogenic factor of H. pylori in addition to the mucosal protective effect due to the inhibition of prostaglandins degradation enzyme. Sofalcone has a direct bactericidal effect on H pylori, anti-urease activity and reduces the adhesion of this organism to gastric epithelial cells","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05198","Name":"CYC116","DrugType":"small molecule","HalfLife":"","Description":"CYC116 is a novel anticancer compound with a unique target profile involving both cell cycle and angiogenesis inhibition mechanisms. In preclinical studies, CYC116 has demonstrated antitumor activity in both solid tumors and hematological cancers.\r\n\r\nCyclacel's small molecule investigational drug, CYC116, is the third orally-available Cyclacel drug to enter development, which demonstrated anticancer activity with a mechanism consistent with inhibition of Aurora kinase.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Advanced solid tumors","Toxicity":"","MechanismOfAction":"Aurora kinases are enzymes that help dividing cells share their materials between two daughter cells. In many people with cancer Aurora kinase malfunctions and normal control of cell division is lost resulting in abnormal growth.\r\nCYC116 inhibits Aurora kinase may slow down the growth of cancer cells and lead to their death by apoptosis.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05199","Name":"LX1031","DrugType":"small molecule","HalfLife":"","Description":"LX1031 is an orally-dosed drug candidate for irritable bowel syndrome and other gastrointestinal disorders. LX1031 was generated by Lexicon medicinal chemists, and its target was internally identified as a key control point for the regulation of peripheral serotonin levels. LX1031 is designed to act locally in the gastrointestinal tract by reducing the serotonin available for receptor activation, without affecting serotonin levels in the brain or its central nervous system functions.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Irritable bowel syndrome (IBS) and other gastrointestinal disorders","Toxicity":"","MechanismOfAction":"LX1031 is designed to act locally in the gastrointestinal tract by reducing the serotonin available for receptor activation, without affecting serotonin levels in the brain or its central nervous system functions.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05200","Name":"AT2220","DrugType":"small molecule","HalfLife":"","Description":"AT2220 is an experimental, oral therapy for the treatment of Pompe disease and belongs to a class of molecules known as pharmacological chaperones. It is a small molecule designed to act as a pharmacological chaperone that specifically binds, stabilizes, and facilitates the proper folding and trafficking of α-glucosidase (GAA). GAA to the lysosome, where it can perform its normal function. AT2220 has been shown to increase GAA activity in cell lines derived from Pompe patients and in transfected cells expressing misfolded forms of GAA.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Pompe disease, also known as glycogen storage disease type II or acid maltase deficiency, is a relatively rare neuromuscular and lysosomal storage disorder caused by inherited genetic mutations in a key enzyme called α-glucosidase (Gaa).","Toxicity":"","MechanismOfAction":"AT2220 is designed to act as a pharmacological chaperone by selectively binding to the misfolded enzyme responsible for Pompe disease, Gaa. After binding to the enzyme, it is thought that AT2220 promotes the proper folding, processing, and trafficking of the enzyme from the endoplasmic reticulum to its final destination, the lysosome, the area of the cell where the enzyme does its work. Once it reaches the lysosome, the pharmacological chaperone is displaced, and the enzyme can perform its normal function, which is the breakdown of its natural substrate, glycogen.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05201","Name":"V24343","DrugType":"small molecule","HalfLife":"","Description":"The anti-obesity drug, V24343, acts by targeting the CB1 receptor in the brain and suppressing a person's appetite.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Obesity related disorders such as cardiovascular disease and type II diabetes","Toxicity":"","MechanismOfAction":"About V24343 Scientists have long known that cannabis, which stimulates a receptor in the brain called the CB1 receptor, also stimulates appetite as evidenced by the hunger pangs or \"munchies\" often experienced by cannabis smokers. Blockade of these CB1 receptors by products like V24343 has been shown to cause weight loss and may reduce risk factors for obesity related disorders such as cardiovascular disease and type II diabetes.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05202","Name":"ARC1779","DrugType":"biotech","HalfLife":"","Description":"ARC1779 is a therapeutic aptamer antagonist of the A1 domain of von Willebrand Factor (vWF), the ligand for receptor glycoprotein 1b on platelets. ARC1779 is being developed as a novel antithrombotic agent for use in patients with acute coronary syndromes. ARC1779 is a therapeutic oligonucleotide (\"aptamer\") which blocks the binding of the A1 domain of vWF to the platelet GPIb receptor, and thereby modulates platelet adhesion, activation, and aggregation under the high shear conditions of coronary arterial stenosis and plaque rupture.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Platelet aggregation, thrombosis and acute coronary syndromes","Toxicity":"","MechanismOfAction":"ARC1779 can inhibit vWF activation and platelet function, which are both widely recognized as playing critical roles in clot formation which can critically impede blood flow to the heart. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05203","Name":"SPP1148","DrugType":"small molecule","HalfLife":"","Description":"SPP1148, the most promising compound from a new series of renin inhibitors for the treatment of hypertension and related end-organ disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hypertension.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05204","Name":"XL418","DrugType":"small molecule","HalfLife":"","Description":"XL418 is a novel anticancer compound.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Cancer","Toxicity":"","MechanismOfAction":"XL418 is a small molecule that inhibits the activity of protein kinase B (PKB or AKT) and S6 Kinase (S6K), which act downstream of phosphoinosotide-3 kinase (PI3K). Activation of these kinases is a frequent event in human tumors, promoting cell growth, survival, and resistance to chemotherapy and radiotherapy. Inactivation of the pathway through inhibition of AKT is expected to induce apoptosis (programmed cell death) in tumor cells. AKT inhibitors may also sensitize tumor cells to a wide range of chemotherapy.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05205","Name":"CX157","DrugType":"small molecule","HalfLife":"","Description":"CX157,3-fluoro-7-(2,2,2,-trifluoroethoxy)phenoxathiin-10,10-dioxide, is a reversible, selective inhibitor of MAO-A designed to have improved oral bioavailability and reduced clearance compared to previous MAO-A inhibitors of this class.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Anxiety Disorders I,\r\nDepression I","Toxicity":"","MechanismOfAction":"This drug increases the levels of three vital neurotransmitters that affect mood and anxiety: serotonin, norepinephrine and dopamine.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05206","Name":"PS433540","DrugType":"small molecule","HalfLife":"","Description":"PS433540 is the first and only dual-acting angiotensin and endothelin receptor antagonist (DARA) in development. The study showed all doses of PS433540 compared with placebo produced a statistically significant inhibition of the expected angiotensin (AII) induced increase in blood pressure.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"This drug Controls blood pressure in hypertensive patients.","Toxicity":"","MechanismOfAction":"The compound, which possesses two clinically validated mechanisms of action in a single molecule, works by selectively blocking the action of two potent vasoconstrictor and mitogenic agents, angiotensin II (AII) and endothelin 1 (ET1), at their respective receptors. PS433540 is highly selective (10,000-fold) for the AII receptor sub-type 1 and the ET receptor sub-type A. As such, PS433540 combines the properties of an angiotensin receptor blocker (ARB) and an endothelin receptor antagonist (ERA) in the same molecule.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05207","Name":"SD118","DrugType":"small molecule","HalfLife":"","Description":"SD118 was previously under investigation in Japan for a different indication and now, following re-profiling and evaluation in experimental animal models, has demonstrated its potential as a new oral therapy for neuropathic pain.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Central Nervous System - Neuropathic pain ","Toxicity":"","MechanismOfAction":"Immune system modulator","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05209","Name":"SYM001","DrugType":"small molecule","HalfLife":"","Description":"Sym001 is a recombinant polyclonal antibody consisting of 25 different anti-Rhesus D (RhD) antibodies to replace existing anti-RhD hyperimmune immunoglobulins for the treatment of Idiopathic Thrombocytopenic Purpura (ITP) and the prevention of Hemolytic Disease of Newborns (HDN).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in thrombocytopenia.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05210","Name":"SF1126","DrugType":"small molecule","HalfLife":"","Description":"SF1126 is an integrin-targeted PI3 kinase inhibitor.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"SF1126 is a small molecule conjugate containing a pan-PI3K inhibitor that selectively inhibits all PI3K class IA isoforms and other key members of the PI3K superfamily, including DNA-PK and mTOR. A major factor in tumor resistance to approved chemotherapy agents is thought to be the activation of the PI3K/PTEN pathway. As a result, it is thought that inhibiting this pathway, via SF1126, could cause the resetting of sensitivity to approved agents and exhibit synergistic anticancer effects.","Pharmacodynamics":"SF1126 is a covalent conjugate of LY294002 that contains a peptide-based targeting group to help increase the localization of the drug in the neovascular component supporting tumor growth. SF1126 is a highly water soluble solid which aids its administration via i.v. or s.c. injections. In vivo it converts spontaneously at physiological pH to LY294002 in a way that is well tolerated in mice, rats, and dogs. SF1126 has been evaluated in numerous animal tumor models showing good tumor inhibition or tumor regression.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05211","Name":"PS386113","DrugType":"small molecule","HalfLife":"","Description":"PS386113 is a small molecule drug candidate under investigation for the treatment of inflammatory disorders. It is being developed by Schering-Plough and Pharmacopeia. Little information has been released about PS386113.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of inflammatory disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05212","Name":"HE3286","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of rheumatoid arthritis and type 2 diabetes.","Toxicity":"","MechanismOfAction":"Potential mechanisms of action for HE3286 include regulation of NF-kB and increasing the production of regulatory T cells (Treg cells). NF-kB is a well-known transcription factor that controls the production of inflammatory cytokines such as TNF-a and interferon-g. Treg cells are referred to in the scientific literature as the peacekeepers of the body. Their role is to keep the immune system from attacking the body itself. Recent studies of Treg cells indicate that they may play a broader role than simply preventing autoimmune conditions. Manipulation of these cells may offer new treatments for conditions ranging from diabetes and organ rejection to cancer and infectious diseases. In type II diabetes, moderate inhibition of NF-kB improves glucose tolerance. [Press Release - Hollis-Eden Pharmaceuticals]","Pharmacodynamics":"","Absorption":"Up to 25% oral bioavailability in mice.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05213","Name":"AC220","DrugType":"small molecule","HalfLife":"","Description":"AC220 is a small-molecule, potent inhibitor of FLT3.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of Acute Myeloid Leukemia (AML).","Toxicity":"","MechanismOfAction":"AC220 potently inhibits FLT3, a kinase that is mutated in approximately one-third of acute myeloid leukemia cases, and patients with FLT3 mutations are less responsive to traditional therapies.","Pharmacodynamics":"In preclinical studies, AC220 demonstrated dose-dependent activity and favorable drug-like profiles in bioavailability, pharmacokinetics, cytochrome P450 (CYP) liability, and absorption, distribution, metabolism, excretion (ADME).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05214","Name":"KD7040","DrugType":"small molecule","HalfLife":"","Description":"KD7040 is a topically-delivered inducible nitric oxide synthase (iNOS) inhibitor for the treatment of neuropathic pain. The KD7040 IND was filed in 4Q06, and a Phase Ib clinical trial began 2Q07. It is being developed by Kalypsys.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of pain.","Toxicity":"","MechanismOfAction":"KD7040 is a potent, topically administered, inhibitor of inducible nitric oxide synthase (iNOS) with greater than 200-fold and 2000-fold selectivity over nNOS and eNOS respectively.","Pharmacodynamics":"KD7040 demonstrates robust reduction of tactile allodynia in rodent models of pain, including the Chung model (peripheral neuropathy), the Bennet chronic constrictive injury model, and the capsaicin model of central sensitization. Preliminary data from GLP safety pharmacology and toxicology studies have defined a favorable safety profile for entry into the clinic.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05215","Name":"RHIIP","DrugType":"biotech","HalfLife":"","Description":"RHIIP is a powder form of recombinant insulin for inhalation administration. It is being developed by Baxter Healthcare Corporation.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of Diabetes Mellitus Type 1 and 2.","Toxicity":"","MechanismOfAction":"Insulin binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor is able to autophosphorylate and phosphorylate numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. These activated proteins, in turn, lead to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC) which play a critical role in metabolism and catabolism.","Pharmacodynamics":"RHIIP is made using Baxter’s proprietary PROMAXX formulation technology. Unlike other dry powder formulations of insulin, RHIIP is 95 percent insulin and does not rely on the use of inactive ingredients to facilitate delivery to the deep lung. Study data show that RHIIP had a faster onset of action than SC (time to reach 10 percent of total area under the glucose infusion rate (GIR) curve 73 vs 95 min.; GIR-tmax 173 versus 218 min., p\u003c0.0001). Duration of action (371 vs 366 min.) and total metabolic effect (GIR-AUC0-10h of 2,734 vs 2,482 mg/kg) were comparable. Pharmacokinetic results were in accordance with these findings: RHIIP was absorbed faster (time to reach 10 percent of total area under the insulin curves 44 vs 66 min., p\u003c0.0001), and maximum insulin levels were reached earlier (86 vs 141 min., p=0.002).","Absorption":"The bioavailability of RHIIP relative to SC was more than 12 percent.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05216","Name":"MP470","DrugType":"small molecule","HalfLife":"","Description":"MP470 is an oral, selective multi-targeted tyrosine kinase inhibitor that suppresses c-MET, c-RET and the mutant forms of c-KIT, PDGFR and FLT3. MP470 also suppresses Rad51 protein, a critical component of double-stranded DNA repair in cancer cells. Preclinical testing of MP470 has identified anti-tumor activity against a wide spectrum of cancers.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Intended for the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"MP470 is a selective multi-targeted tyrosine kinase inhibitor that suppresses c-MET, c-RET and the mutant forms of c-KIT, PDGFR and FLT3. MP470 also suppresses Rad51 protein, a critical component of double-stranded DNA repair in cancer cells. ","Pharmacodynamics":"","Absorption":"Orally available","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05217","Name":"GMX1777","DrugType":"small molecule","HalfLife":"","Description":"GMX1777 is a water-soluble prodrug of the cyanoguanidine compound GMX1778 with potential antineoplastic activity. In vivo, apoptosis inducer GMX1777 is rapidly converted into GMX1778 through hydrolytic cleavage of a carbonate ester bond. Although the exact mechanism of action has yet to be fully elucidated, GMX1778 appears to antagonize nuclear factor-kappa B (NF-kB) transcription, resulting in the induction of tumor cell apoptosis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Intended for the treatment of solid tumors and lymphomas.","Toxicity":"","MechanismOfAction":"The cytotoxicity of GMX1777, a prodrug of GMX1778, occurs exclusively through its ability to selectively inhibit nicotinamide phosphoribosyl transferase (NAMPRT). Tumor cells have elevated NAMPRT, an enzyme involved in the biosynthesis of oxidized nicotinamide adenine dinucleotide (NAD+). These cells have a high rate of NAD+ turnover due to elevated glycolysis and high ADP-ribosylation activity required for DNA repair, genome stability and telomere maintenance. These latter characteristics make cancer cells more susceptible to NAMPRT inhibition than normal cells. Although the mechanism of action of GMX1778 was initially believed to include NF-κB inhibition, a transcriptional factor that plays a role in cancer cell survival, NF-κB inhibition occurs as a consequence of ATP loss following NAMPRT inhibition and NAD+ decline.","Pharmacodynamics":"GMX1777 exhibits unusually potent anti-tumor activity in preclinical animal models. The novel mechanism of action of GMX1778 supports the clinical use of GMX1777 as an anti-cancer agent. Moreover, the strong dependency of cancer cells on NAD+ to support DNA repair suggests a strong rationale for the use of GMX1777 in combination with DNA damaging agents for future trials.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05218","Name":"PN0621","DrugType":"biotech","HalfLife":"","Description":"PN0621 is an anti-TNF, domain antibody (dAb) based therapeutic. It targets tumour necrosis factor (TNF) to treat auto-immune inflammatory diseases such as rheumatoid arthritis. It is being developed by Peptech.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Intended for the treatment of auto-immune diseases such as rheumatoid arthritis, psoriasis and Crohn's disease.","Toxicity":"","MechanismOfAction":"Auto-immune diseases are indicated where an individual's immune system mistakenly attacks the body's own tissues. PN0621 works by blocking the action of TNF (tumour necrosis factor) which is involved in this attack.","Pharmacodynamics":"PN0621 is an anti-TNF, a name given to a class of drugs being developed for the treatment of auto-immune diseases such as rheumatoid arthritis, psoriasis and Crohn's disease.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05219","Name":"AN2728","DrugType":"small molecule","HalfLife":"","Description":"AN2728 is a novel oxaborole in development for the topical treatment of psoriasis. Since psoriasis pathology includes an overproduction of pro-inflammatory and T-cell-produced cytokines, a small molecule that inhibits production of these cytokines without non-specifically inhibiting cellular functions, such as AN2728, is desirable.","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"Intended for the treatment of psoriasis. ","Toxicity":"","MechanismOfAction":"AN2728 is the product of a focused medicinal chemistry effort to create small molecules that inhibit TNF-alpha, the inflammatory cytokine that is the target of the powerful monoclonal antibodies now marketed for the treatment of psoriasis. Company researchers have shown that AN2728 suppresses the phosphodiesterase 4 (PDE4) enzyme, leading to TNF-alpha inhibition.","Pharmacodynamics":"AN2728 has broad-spectrum anti-inflammatory activity. It suppresses most pro-inflammatory Th1 and Th2 cytokines. This activity is in the low micromolar range, sufficient for topical application.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05220","Name":"MLN8237","DrugType":"small molecule","HalfLife":"","Description":"MLN8237 is a novel aurora A kinase inhibitor under investigation for the treatment of various forms of cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05222","Name":"KB001","DrugType":"biotech","HalfLife":"","Description":"KB001 is a Humaneered\u0026trade; PEGylated monoclonal antibody fragment for the treatment of life-threatening Pseudomonas aeruginosa infections, a common problem of cystic fibrosis and mechanically ventilated patients.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of infections caused by multi-drug resistant \u003cem\u003ePseudomonas aeruginosa\u003c/em\u003e.","Toxicity":"","MechanismOfAction":"KB001 targets and neutralizes the PcrV protein of the Type III secretion system of the Pseudomonas bacterium, which directly inhibits its toxic effects. This mechanism of action is different from that of other antibiotics and represents a new approach in the treatment of bacterial infections. ","Pharmacodynamics":"KaloBios is developing KB001, a PEGylated engineered human Fab' fragment for the prevention and treatment of \u003cem\u003ePseudomonas aeruginosa\u003c/em\u003e infections. The Fab' fragment is specific for the PcrV antigen, an essential component of the Type III secretion system, a key virulence factor with multiple roles in both infection and pathogenesis. KB001 shows potent activity in mouse models of pulmonary infection, reducing mortality and leading to effective clearance of bacteria from infected lungs. This molecule therefore represents an attractive candidate for clinical evaluation in the prevention or treatment of \u003cem\u003ePseudomonas\u003c/em\u003e infection in Cystic Fibrosis, pneumonia, and other indications. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05223","Name":"SB939","DrugType":"small molecule","HalfLife":"","Description":"SB939 is a novel HDAC inhibitor with improved in vivo properties compared to other HDAC inhibitors currently in clinical trials, allowing oral dosing. Data demonstrate that SB939 is a potent and effective anti-tumor drug with potential as an oral therapy for a variety of human hematological and solid tumors.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"Inhibition of HDAC activity allows for the accumulation of acetyl groups on the histone lysine residues resulting in an open chromatin structure and transcriptional activation. In vitro, SB939 causes the accumulation of acetylated histones and induces cell cycle arrest and/or apoptosis of some transformed cells. The mechanism of the antineoplastic effect of SB939 has not been fully characterized.","Pharmacodynamics":"SB939 is a novel compound with superior pharmaceutical, metabolic and pharmacokinetic properties. SB939 has demonstrated excellent in vivo anti-tumour activity in various animal models with dose proportional pharmacodynamic effects. The pharmacokinetics and pharmacodynamic attributes of SB939 explain and differentiate it as the best in class HDAC inhibitor.\r\n","Absorption":"Oral bioavailability in mice is 34%.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05224","Name":"REP8839","DrugType":"small molecule","HalfLife":"","Description":"REP8839 is a novel methionyl-tRNA synthetase (MetS) inhibitor being developed by Replidyne (GlaxoSmithKline licensed REP8839 to Replidyne in June of 2003).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of bacterial infections caused by susceptible microorganisms (\u003ci\u003eStaphylococcus aureus\u003c/i\u003e, including methicillin-resistant \u003ci\u003eS. aureus\u003c/i\u003e (MRSA), and \u003ci\u003eStreptococcus pyogenes\u003c/i\u003e).","Toxicity":"","MechanismOfAction":"REP8839 exerts its antibacterial activity through specific inhibition of MetS, a novel target.","Pharmacodynamics":"REP8839 is a novel methionyl-tRNA synthetase (MetS) inhibitor with potent antibacterial activity against clinical isolates of Staphylococcus aureus, Streptococcus pyogenes, and other clinically important gram-positive bacteria but little activity against gram-negative bacteria.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05225","Name":"AM103","DrugType":"small molecule","HalfLife":"","Description":"AM103 is a novel inhibitor of 5-lipoxygenase-activiting protein (FLAP) that has demonstrated potential to treat asthma and cardiovascular disease by preventing the synthesis of LT, which triggers inflammation. It is being developed by Amira.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of asthma and cardiovascular disease.","Toxicity":"","MechanismOfAction":"The exact mechanism of actions is not known, however, AM103 inhibits the 5-lipoxygenase-activiting protein (FLAP). This prevents the synthesis of LT, which normally triggers inflammation.","Pharmacodynamics":"Results from the Phase I trial show that AM103 is safe and well-tolerated at doses up to 1,000 mg per day with no evidence of significant side effects. Pharmacodynamic data demonstrated a robust and statistically significant reduction of LTB4 and LTE4 in a dose-dependent manner.","Absorption":"Well absorbed orally.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05226","Name":"BTA9881","DrugType":"small molecule","HalfLife":"","Description":"BTA9881 is a respiratory syncytial virus (RSV) antiviral drug developed by the Australian company Biota Holdings. It is currently in phase I trials.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of respiratory syncytial virus infections.","Toxicity":"","MechanismOfAction":"BTA9881 is a small molecule fusion glycoprotein inhibitor, designed to specifically inhibit the process by which respiratory syncytial virus (RSV) infects a cell.","Pharmacodynamics":"BTA9881 will be used to stop replication of RSV in an infected patient with the aim of clearing the infection or reducing the clinical impact of the disease. Respiratory syncytial virus (RSV) infects people of all ages, but particularly infants, causing similar symptoms to influenza. In the northern hemisphere, the RSV season usually starts in the fall and runs through the spring. The virus is highly contagious, infecting virtually all infants under the age of two and re-infection is common. For example approximately 50 percent of children will experience two RSV infections by the age of two.","Absorption":"Orally available.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05227","Name":"APD791","DrugType":"small molecule","HalfLife":"","Description":"APD791 is an oral anti-thrombotic drug candidate being evaluated in a Phase 1 clinical trial by Arena. APD791 is intended to lower the risk of arterial thrombosis by reducing the amplification of platelet aggregation, arterial constriction and intimal hyperplasia mediated by serotonin.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment and prophylaxis of arterial thrombosis.","Toxicity":"","MechanismOfAction":"APD791 targets the 5-HT2A serotonin receptor, blocking the signal of serotonin, which facilitates thrombosis.","Pharmacodynamics":"APD791 is intended to lower the risk of arterial thrombosis by reducing the amplification of platelet aggregation, arterial constriction and intimal hyperplasia mediated by serotonin. Preclinical testing suggests that APD791 could have a unique risk-benefit profile because its anti-thrombotic activity may be less likely to cause the increased bleeding seen with anti-thrombotic agents that are members of other classes of drugs.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05228","Name":"RDEA806","DrugType":"small molecule","HalfLife":"","Description":"RDEA806 is a new HIV non-nucleoside reverse transcriptase inhibitor (NNRTI) with a high genetic barrier to resistance and a broad spectrum of activity.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of HIV-1 infection in combination with appropriate antiretroviral agents when therapy is warranted.","Toxicity":"","MechanismOfAction":"RDEA806 binds directly to viral reverse transcriptase (RT) and blocks the RNA-dependent and DNA-dependent DNA polymerase activities by disrupting the enzyme's catalytic site.","Pharmacodynamics":"RDEA806 is a potent HIV non-nucleoside reverse transcriptase inhibitor (NNRTI) with a high genetic barrier to resistance and a broad spectrum of activity. RDEA806 is highly active in vitro against wild-type and the majority of HIV strains carrying key reverse transcriptase mutations. RDEA806 has the potential to be used in both naive and treatment-experienced patients and has a much higher barrier to resistance than currently approved NNRTIs, which could translate into delayed onset of resistance.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05229","Name":"Beraprost","DrugType":"small molecule","HalfLife":"35–40 minutes","Description":"Beraprost is a synthetic analogue of prostacyclin, under clinical trials for the treatment of pulmonary hypertension. It is also being studied for use in avoiding reperfusion injury.","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"For the treatment of pulmonary hypertension.","Toxicity":"","MechanismOfAction":"Beraprost acts by binding to prostacyclin membrane receptors ultimately inhibiting the release of Ca\u003csup\u003e2+\u003c/sup\u003e from intracellular storage sites. This reduction in the influx of Ca\u003csup\u003e2+\u003c/sup\u003e has been postulated to cause relaxation of the smooth muscle cells and vasodilation.","Pharmacodynamics":"Beraprost is a stable, orally active prostacyclin analogue with vasodilatory, antiplatelet and cytoprotective effects. Beraprost is generally well tolerated and appears to be an effective agent in the treatment of patients with Buerger's disease and arteriosclerosis obliterans. Comparative data from a large randomised trial indicated that the drug appears as effective as ticlopidine in patients with these conditions. In patients with intermittent claudication, significant benefits of beraprost compared with placebo were reported in a randomised clinical trial; however, the use of beraprost in these patients is not supported by recent preliminary unpublished data from a large, phase III, placebo-controlled study. Limited data suggest some efficacy with long-term beraprost treatment of patients with PAH, where options are few and where oral administration of the drug could be a considerable advantage over intravenous prostacyclin (PGI2) therapy.","Absorption":"Oral bioavailability is 50–70%.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05230","Name":"AC3056","DrugType":"small molecule","HalfLife":"","Description":"AC3056 is a non-peptide antioxidant that acts as an inhibitor of vascular cell adhesion molecule expression originally developed by Aventis Pharmaceuticals. It as since been acquired by Amylin Pharmaceuticals and has completed phase I trials.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of atherosclerosis and other conditions related to the obstruction of blood vessels.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Oral administration of AC3056 results in dose-dependent antioxidant activity and was well tolerated. In 2002, positive results were reported from a phase I trial. In the double-blind, placebo-controlled, crossover trial, 14 healthy subjects received an oral formulation of AC3056 in a dose-escalating manner. Results demonstrated dose-dependent increases in blood levels of AC3056, as well as dose-dependent increases in serum antioxidant activity. The drug was well tolerated with no safety concerns.","Absorption":"Absorbed following oral administration.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05232","Name":"Tetrodotoxin","DrugType":"small molecule","HalfLife":"","Description":"An aminoperhydroquinazoline poison found mainly in the liver and ovaries of fishes in the order tetraodontiformes, which are eaten. The toxin causes paresthesia and paralysis through interference with neuromuscular conduction. Tetrodotoxin is being investigated by Wex Pharmaceuticals for the treatment of chronic and breakthrough pain in advanced cancer patients as well as for the treatment of opioid dependence.\r\n","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"For the treatment of chronic and breakthrough pain in advanced cancer patients as well as for the treatment of opioid dependence.","Toxicity":"Death has occurred within 17 minutes of ingestion.","MechanismOfAction":"Tetrodotoxin binds to what is known as site 1 of the fast voltage-gated sodium channel. Site 1 is located at the extracellular pore opening of the ion channel. The binding of any molecules to this site will temporarily disable the function of the ion channel. Saxitoxin and several of the conotoxins also bind the same site.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05233","Name":"AP1081","DrugType":"small molecule","HalfLife":"","Description":"A transdermal gel containing ethinyl estradiol and norelgestromin being investigated by Antares Pharma for use as a female contraceptive.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For use as a female contraceptive.","Toxicity":"","MechanismOfAction":"Estrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH).","Pharmacodynamics":"","Absorption":"Absorbed topically.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05234","Name":"LGD2941","DrugType":"small molecule","HalfLife":"","Description":"LGD2941 is a non-steroidal, selective androgen receptor modulator (SARM) developed jointly by Ligand and TAP.","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"For the treatment and prevention of osteoporosis.","Toxicity":"","MechanismOfAction":"LGD2941 selectively modulates the activity of the androgen receptor (AR) in different tissues.","Pharmacodynamics":"LGD2941 is a non-steroidal, selective androgen receptor modulator (SARM). SARMs are a novel class of non-steroidal, orally active molecules that selectively modulate the activity of the androgen receptor (AR) in different tissues, providing a wide range of opportunities for the treatment of many diseases and disorders with large patient populations in both men and women. Tissue-selective AR agonists or antagonists may provide utility in male hormone therapy and the treatment of patients with male hypogonadism, female and male osteoporosis, male and female sexual dysfunction, frailty, prostate cancer, hirsutism, acne, androgenetic alopecia and other diseases.","Absorption":"Orally-available","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05235","Name":"NRP409","DrugType":"small molecule","HalfLife":"","Description":"NRP409 is a triiodothyronine (T3) hormone, being investigated by New River Pharmaceuticals as a treatment for patients with primary hypothyroidism.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For use in treatment of hypothyroidism.","Toxicity":"","MechanismOfAction":"NRP409 is presumed to work like the endogenous thyroid hormone thyroxine (T\u003csub\u003e4\u003c/sub\u003e, a tetra-iodinated tyrosine derivative). In the liver and kidney, T\u003csub\u003e4\u003c/sub\u003e is converted to T\u003csub\u003e3\u003c/sub\u003e, the active metabolite. In order to increase solubility, the thyroid hormones attach to thyroid hormone binding proteins, thyroxin-binding globulin, and thyroxin-binding prealbumin (transthyretin). Transport and binding to thyroid hormone receptors in the cytoplasm and nucleus then takes place. Thus by acting as a replacement for natural thyroxine, symptoms of thyroxine deficiency are relieved.","Pharmacodynamics":"The company is hoping that NRP409 will mark a significant improvement in thyroid HRT by reducing the variability of the more active hormone's availability, while reducing the safety risk associated with other T3 based therapies.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05236","Name":"ReN001","DrugType":"biotech","HalfLife":"","Description":"ReN001 is a clonal human neural stem cell line developed for clinical use in the treatment of stable disability after stroke. ReN001 a strong candidate for one of the first cell-based IND applications to be submitted to the Food and Drug Administration in the United States for consideration for the treatment of stroke in humans.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of stroke.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"ReN001 is a clonal human neural stem cell line which has been conditionally immortalized using the fusion transgene c-mycERTAM to allow controlled expansion when cultured in the presence of 4-hydroxytamoxifen. The cell line has been banked and fully characterized to assure there is genetic stability and no phenotypic drift with extended passages. In vivo studies determined the ability of the cell line to survive after implantation into damaged brain and its efficacy in the reduction of chronic behavioural dysfunction after implantation into a rodent model of stroke damage. A further study was conducted in this model and a dose-dependent effect was observed on behavioural recovery. No safety or toxicology issues were identified in in vivo studies with this cell line.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05237","Name":"rhMBL","DrugType":"biotech","HalfLife":"","Description":"rhMBL is a protein therapeutic being developed by Enzon for the prevention and treatment of severe infections in individuals with low levels of Mannose-Binding Lectin (MBL). Over 10 percent of the general population is estimated to be MBL-deficient. Natural MBL has an oligomeric structure (400-700 kDa), built of subunits that contain three identical peptide chains of 32 kDa each.\r\nAlthough MBL can form several oligomeric forms, there are indications that dimers and trimers are not biologically active and at least a tetramer form is needed for activation of complement.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in immunodeficiency and infectious and parasitic disease (unspecified).","Toxicity":"","MechanismOfAction":"MBL deficiency may explain why some but not all individuals who are immunosuppressed develop infectious complications even when they receive prophylactic anti-infectious treatment. Studies have shown a correlation between low MBL levels and susceptibility to serious infections in patients immunosuppressed from chemotherapy, including patients with multiple myeloma undergoing high-dose chemotherapy and hematopoietic stem cell transplantation. rhMBL acts as natural MBL in the body, reducing susceptibility to serious infections.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05238","Name":"PLX4032","DrugType":"small molecule","HalfLife":"","Description":"PLX4032, a targeted anticancer agent, selectively inhibits the cancer-causing BRAF(V600E) gene found in subsets of different cancers, including 70% of malignant melanomas and a significant number of colorectal and thyroid tumors. Plexxikon, the company developing PLX4032, will use a new test to detect the presence of this cancer-causing gene to identify patients most likely to respond to PLX4032, enabling a personalized form of treatment.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"PLX4032 blocks one of the most common genetic mutations known to cause cancer. It is a selective inhibitor of the activated BRAF(V600E) gene found in 70% of malignant melanomas and a significant percentage of other cancers.","Pharmacodynamics":"Preclinical studies in both melanoma and colorectal cancer models demonstrate that PLX4032 reduces tumor size or slows the progression of tumors for extended periods, even after the completion of treatment. Highly selective against B-Raf(V600E) compared to a panel of over 70 other kinases, PLX4032 works specifically on cancer cells, leaving healthy cells untouched. Thus, PLX4032 has demonstrated a very favorable side effect profile, and should be able to be used safely in combination with other anticancer drugs. Pending activation of the IND by the FDA, Plexxikon intends to initiate Phase 1 dose escalation studies in cancer patients by the end of this year.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05239","Name":"XL518","DrugType":"small molecule","HalfLife":"","Description":"XL518 is an orally active small molecule, targeting mitogen-activated protein kinase kinase 1 (MAP2K1 or MEK1), with potential antineoplastic activity being developed by Exelixis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"MEK inhibitor XL518 specifically binds to and inhibits the catalytic activity of MEK1, resulting in inhibition of extracellular signal-related kinase 2 (ERK2) phosphorylation and activation and decreased tumor cell proliferation.","Pharmacodynamics":"XL518 is an orally active small molecule, targeting mitogen-activated protein kinase kinase 1 (MAP2K1 or MEK1), with potential antineoplastic activity. Preclinical studies have demonstrated that this agent is effective in inhibiting the growth of tumor cells bearing a B-RAF mutation, which has been found to be associated with many tumor types. A threonine-tyrosine kinase and a key component of the RAS/RAF/MEK/ERK signaling pathway that is frequently activated in human tumors, MEK1 is required for the transmission of growth-promoting signals from numerous receptor tyrosine kinases.","Absorption":"Orally active","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05240","Name":"XL147","DrugType":"small molecule","HalfLife":"","Description":"XL147 is an orally available small molecule that selectively inhibits the activity of phosphoinositide-3 kinase (PI3K).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various cancers.","Toxicity":"","MechanismOfAction":"XL147 is an orally available small molecule that selectively inhibits the activity of phosphoinositide-3 kinase (PI3K). Activation of PI3K is a frequent event in human tumors, promoting tumor cell growth, survival, and resistance to chemotherapy and radiotherapy. Inactivation of PI3K has been shown to inhibit growth and induce apoptosis (programmed cell death) in tumor cells.","Pharmacodynamics":"In preclinical studies, XL147 slowed tumor growth or caused tumor shrinkage in multiple preclinical cancer models, including breast, lung, ovarian, and prostate cancers, and gliomas. XL147 has also been shown to enhance the anti- tumor effects of several chemotherapeutic agents and an inhibitor of epidermal growth factor receptor (EGFR) in preclinical cancer models.","Absorption":"Orally available","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05241","Name":"XL765","DrugType":"small molecule","HalfLife":"","Description":"XL765 is an orally available small molecule that has been shown in preclinical studies to selectively inhibit the activity of phosphoinositide-3 kinase (PI3K) and mammalian target of rapamycin (mTOR). It is being developed by Exelixis, Inc.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"XL765 inhibits the activity of phosphoinositide-3 kinase (PI3K), which is frequently activated in tumors and promotes cell growth, survival and resistance to chemotherapy and radiotherapy. XL765 also inhibits mammalian target of rapamycin (mTOR), which also is activated frequently in human tumors and plays a central role in tumor cell growth. XL765 potently inhibits Class I PI3K isoforms and mTOR.\r\n","Pharmacodynamics":"XL765 is an orally available small molecule that has been shown in preclinical studies to selectively inhibit the activity of phosphoinositide-3 kinase (PI3K) and mammalian target of rapamycin (mTOR). Activation of PI3K is a frequent event in human tumors, promoting tumor cell growth, survival, and resistance to chemotherapy and radiotherapy. mTOR is also frequently activated in human tumors and plays a central role in tumor cell growth. mTOR can be activated via upregulation of PI3K, or via PI3K-independent mechanisms. Inactivation of PI3K has been shown to inhibit growth and induce apoptosis (programmed cell death) in tumor cells, whereas inactivation of mTOR has been shown to inhibit the growth of tumor cells. In preclinical studies, XL765 slowed tumor growth or caused tumor shrinkage in multiple preclinical cancer models, including breast, lung, ovarian, and prostate cancers, and gliomas. XL765 has also been shown to enhance the anti-tumor effects of several chemotherapeutic agents in preclinical cancer models. XL765 has at least a 24-hour duration of action against both PI3K and mTOR readouts in tumors in vivo following a single oral (PO) dose of 30-100 mg/kg.\r\n\r\n","Absorption":"Orally available","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05242","Name":"eiRNA","DrugType":"biotech","HalfLife":"","Description":"eiRNA (expressed interfering RNA) is an approach to RNAi therapeutics, whereby a plasmid DNA coding for desired dsRNA is delivered to diseased cells enabling the cells to carry out dsRNA production internally thereby invoking the RNAi response against a targeted disease causing gene.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hepatitis (viral, B).","Toxicity":"","MechanismOfAction":"With eiRNA therapeutics, the drug consists of a DNA vector which encodes the double-stranded RNA molecules. When the DNA vector is administered to a cell or organism it will cause the cell to generate multiple copies of the desired RNAi molecules inside the cell and over an extended period of time, thereby amplifying the RNAi mechanism.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05243","Name":"XL019","DrugType":"small molecule","HalfLife":"","Description":"XL019 is a selective inhibitor of the cytoplasmic tyrosine kinase JAK2. An IND for XL019 was filed by Exelixis in May 2007.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of various forms of cancer.","Toxicity":"","MechanismOfAction":"XL019 is a selective inhibitor of the cytoplasmic tyrosine kinase JAK2. JAK2 is activated by cytokine and growth factor receptors and phosphorylates members of the STAT family of inducible transcription factors. Activation of the JAK/STAT pathway promotes cell growth and survival, and is a common feature of human tumors. JAK2 is activated by mutation in the majority of patients with polycythemia vera and essential thrombocytosis and appears to drive the inappropriate growth of blood cells in these conditions.","Pharmacodynamics":"XL019 is a potent and selective JAK2 inhibitor with favorable pharmacodynamic properties and safety profile.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05244","Name":"G4544","DrugType":"small molecule","HalfLife":"","Description":"G4544 is an oral gallium compound that enables oral absorption of the active ingredient contained in Ganite\u0026trade; (gallium nitrate injection). It targets bone tissue and is actively incorporated into bone mineral at sites where bone is metabolically active.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For treatment of non-Hodgkin's lymphoma, bone metastases, Paget's disease, and osteoporosis","Toxicity":"","MechanismOfAction":"G4544 reduces bone loss by inhibiting calcium resorption from bone. Preclinical evidence suggests that the mechanism of G4544 action is multifactorial and different from other current therapies used to treat bone loss, such as estrogen or selective estrogen receptor modulators (SERMs), calcitonin, or bisphosphonates (e.g., Zometa or Fosamax). G4544 preferentially accumulates in metabolically active regions of bone, inhibits osteoclast-mediated bone resorption, and favorably alters bone mineral composition and properties.","Pharmacodynamics":"G4544 is one of a class of gallium containing compounds that were originally developed by the U.S. National Cancer Institute. In investigational studies, high doses of gallium nitrate demonstrated consistent antitumor activity in patients with non Hodgkin's lymphoma. However, experimental work by Genta personnel and others established that lower doses of gallium directly inhibited calcium release from bone, principally by decreasing bone resorption and possibly by also stimulating bone formation.","Absorption":"Orally bioavailable.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05245","Name":"Silver sulfadiazine","DrugType":"small molecule","HalfLife":"","Description":"Silver sulfadiazine is a sulfa derivative topical antibacterial used primarily on second- and third-degree burns. [Wikipedia]","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Indicated as an adjunct for the prevention and treatment of wound sepsis in patients with second- and third-degree burns.","Toxicity":"Acute oral toxicity (LD50) in rat is 10001 mg/kg.\r\n","MechanismOfAction":"Studies utilizing radioactive micronized silver sulfadiazine, electron microscopy, and biochemical techniques have revealed that the mechanism of action of silver sulfadiazine on bacteria differs from silver nitrate and sodium sulfadiazine. Silver sulfadiazine acts only on the cell membrane and cell wall to produce its bactericidal effect. A specific mechanism of action has not been determined, but silver sulfadiazine's effectiveness may possibly be from a synergistic interaction, or the action of each component. Silver is a biocide, which binds to a broad range of targets. Silver ions bind to nucleophilic amino acids, as well as sulfhydryl, amino, imidazole, phosphate, and carboxyl groups in proteins, causing protein denaturation and enzyme inhibition. \r\nSilver binds to surface membranes and proteins, causing proton leaks in the membrane, leading to cell death. \r\nSulfadiazine is a competitive inhibitor of bacterial para-aminobenzoic acid (PABA), a substrate of the enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Pharmacodynamics":"Silver sulfadiazine has broad antimicrobial activity. It is bactericidal for many gram- negative and gram-positive bacteria as well as being effective against yeast. Silver sulfadiazine is not a carbonic anhydrase inhibitor and may be useful in situations where such agents are contraindicated.","Absorption":"Very limited penetration through the skin. Only when applied to very large area burns is absorption into the body generally an issue.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB05246","Name":"Methsuximide","DrugType":"small molecule","HalfLife":"1.4-2.6 hours for mesuximide and 28-38 hours for the active metabolite.","Description":"Mesuximide (or methsuximide) is an anticonvulsant medication. It is sold by Pfizer under the name Petinutin. [Wikipedia]","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"For the control of absence (petit mal) seizures that are refractory to other drugs.","Toxicity":"Acute overdoses may produce nausea, vomiting, and CNS depression including coma with respiratory depression. Levels greater than 40 \u0026#181;g/mL have caused toxicity and coma has been seen at levels of 150 \u0026#181;g/mL.","MechanismOfAction":"Binds to T-type voltage sensitive calcium channels. Voltage-sensitive calcium channels (VSCC) mediate the entry of calcium ions into excitable cells and are also involved in a variety of calcium-dependent processes, including muscle contraction, hormone or neurotransmitter release, gene expression, cell motility, cell division and cell death. The isoform alpha-1G gives rise to T-type calcium currents. T-type calcium channels belong to the \"low-voltage activated (LVA)\" group and are strongly blocked by mibefradil. A particularity of this type of channels is an opening at quite negative potentials and a voltage-dependent inactivation. T-type channels serve pacemaking functions in both central neurons and cardiac nodal cells and support calcium signaling in secretory cells and vascular smooth muscle. They may also be involved in the modulation of firing patterns of neurons which is important for information processing as well as in cell growth processes.","Pharmacodynamics":"Used in the treatment of epilepsy. Methsuximide suppresses the paroxysmal three cycle per second spike and wave activity associated with lapses of consciousness which is common in absence (petit mal) seizures. The frequency of epileptiform attacks is reduced, apparently by depression of the motor cortex and elevation of the threshold of the central nervous system to convulsive stimuli.","Absorption":"","Interactions":[{"ID":"DB00555"},{"ID":"DB00208"},{"ID":"DB00427"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB05248","Name":"5-bromo-cytidinemonophosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety.","DirectParent":"Pyrimidine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB05249","Name":"FavId","DrugType":"small molecule","HalfLife":"","Description":"FavId, is an active immunotherapy that is based upon unique genetic information extracted from a patient's tumor.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"B-cell non-Hodgkin's lymphoma","Toxicity":"","MechanismOfAction":"It is designed to stimulate a patient's immune system to mount a specific and sustained response to disease. FavId is currently being developed for use following treatment with existing standards of care to extend time to disease progression in patients with B-cell non-Hodgkin's lymphoma","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05250","Name":"681323","DrugType":"small molecule","HalfLife":"","Description":"SB-681323 is a p38 MAP-kinase inhibitor that has potential uses in inflammatory conditions such as RA(Rheumatoid Arthritis). Previous p38 MAP-kinase inhibitors have been hindered in development by liver toxicity. Methotrexate (common treatment for RA patients) also has potential liver toxicity.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Rheumatoid arthritis and Chronic obstructive pulmonary disease ","Toxicity":"","MechanismOfAction":"This drug reduces the levels of proinflammatory cytokines and chemokines and reduce cellular infiltration to sites of inflammation, thereby reducing local damage. \r\nIn diseases such as RA and IBD, TNFα blockade through either anti-TNFα antibodies or use of soluble TNFα receptors. Inhibition of p38α offers significant inhibition of TNFα, and cytokines such as IL-1β and IL-6, which offer additional therapeutic efficacy.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05251","Name":"VRX496","DrugType":"small molecule","HalfLife":"","Description":"VRX496 is the first and only lentiviral vector therapy approved by the FDA for clinical trials, according to VIRxSYS. The backbone of VRX496 consists of a genetically engineered version of HIV in which all the infectious components are removed and replaced with the therapeutic payload—a long antisense sequence that targets the HIV envelope protein and cripples the virus.","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"HIV infection","Toxicity":"","MechanismOfAction":"VRX496 is an autologous therapy that uses a patient’s own cells. Clinical sites collect white blood cells from individual patients by apheresis. VIRxSYS scientists purify the white blood cells to isolate CD4 T cells, which are transduced with VRX496. The genetically modified cells are expanded and reinfused into the patient. \r\nWhen HIV enters CD4 T cells to replicate, the antisense payload of VRX496 is transcribed, which binds the virus and destroys it. The goal is to repopulate a patient’s immune system with genetically engineered cells that promote immunity against HIV and prevent the progression to AIDS. Although not a cure, VRX496 could improve the quality of life for HIV patients by bringing viral loads down to low levels. This approach could slow or even reverse a patient’s progression to full-blown AIDS. \r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05252","Name":"ACCLAIM","DrugType":"small molecule","HalfLife":"","Description":"ACCLAIM (organic nitrate combined with L-arginine), is an oral proprietary nitrate therapeutic shown to induce coronary vasodilation while overcoming the significant problem of drug tolerance. ACCLAIM treat chronic angina, the chest pain that occurs from inadequate blood flow to the coronary arteries around the heart.","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"Chronic angina and Coronary Artery Disease \t","Toxicity":"","MechanismOfAction":"ACCLAIM is a proprietary combination of nitrate and L-arginine that provides the beneficial cardiovascular effects of nitrates. Combining L-arginine with organic nitrates prevents the endothelial cell's depletion of L-arginine and the associated problem of nitrate tolerance. By eliminating nitrate tolerance, ACCLAIM allows patients to receive the continuous, 24-hour benefit of a potent nitrate product, thus sustaining the desired vasodilation effect.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05253","Name":"Proellex","DrugType":"small molecule","HalfLife":"","Description":"Proellex is an orally-available, selective progesterone receptor modulator, is in development to alleviate symptoms associated with both uterine fibroids and endometriosis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of uterine fibroids and endometriosis.","Toxicity":"","MechanismOfAction":"Proellex selectively blocks the progesterone receptor thus avoiding the adverse effects of GnRH agonists associated with the induction of a low estrogen, menopausal-like state in women.","Pharmacodynamics":"Patients receiving Proellex saw improvements in key symptoms associated with uterine fibroids, namely reduced pain and bleeding, as well as effects on bone retention.","Absorption":"Orally-available","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05254","Name":"Plasmin","DrugType":"small molecule","HalfLife":"Almost completely inactivated after 24 hours","Description":"Plasmin (also known as Fibrinolysin) is a bovine enzyme derived from bovine plasma or extracted from bacterial cultures. It is a globular protein with a molecular weight of ~90,000 daltons. Plasmin consists of two polypeptide chains, one light and one heavy, linked by a disulfide bond. The light chain has a molecular weight of approximately 27,000 Da and contains the active center of plasmin; the heavy chain has a molecular weight of approximately 57,000 Da. Plasmin is used as a local healing ointment when combined together with the enzyme deoxyribonuclease I (extracted from bovine pancreas). Plasmin and deoxyribonuclease both act as lytic enzymes. The combination is available as ointment containing 1 BU (Biological Unit) plasmin and 666 BUs desoxyribonuclease per gram. The ointment is marketed by Pfizer under the brand name Fibrolan in a variety of countries (e.g. Switzerland). It is currently not approved in the USA.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Plasmin assists with the healing of minor burns, superficial wounds, ulcers, surgical wounds, and superficial hematomas","Toxicity":"","MechanismOfAction":"Plasmin attacks and inactivates fibrin molecules occurring in undesirable exudates on the surface of the human body and on human mucosa, e.g., in superficial wounds and burns, while desoxyribonuclease targets and destroys (human) DNA. The combination of the two enzymes has a synergistic effect on necrotic but not on living tissue.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05255","Name":"751689","DrugType":"small molecule","HalfLife":"","Description":"751689 is orally-active calcilytics.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Post-menopausal women with osteoporosis","Toxicity":"","MechanismOfAction":"751689 is novel small molecules that work by antagonizing calcium-sensing receptors on the surface of the parathyroid gland, thereby triggering a transient release of the body's own stores of parathyroid hormone (PTH). This release of PTH may have the potential to rebuild the bone mass lost as a result of osteoporosis and improve overall bone microarchitecture in these patients. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05256","Name":"659032","DrugType":"small molecule","HalfLife":"","Description":"659032 is the third genomics-derived small-molecule drug\r\ncoming from a collaboration between Human Genome Sciences and GlaxoSmithKline to enter clinical development. 659032 is a second lipoprotein-associated phospholipase A2(Lp-PLA2) inhibitor.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Cardiovascular Disorders and Atherosclerosis\r\n","Toxicity":"","MechanismOfAction":"Lp-PLA2 is an enzyme associated with the formation of atherosclerotic plaques.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05257","Name":"Neocartilage","DrugType":"biotech","HalfLife":"","Description":"Neocartilage, a novel cartilage regeneration treatment. Neocartilage is generated from juvenile rather than adult chondrocytes. Neocartilage is the only scaffold-free living cartilage graft on the market. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"NeoCart is a novel autogenous neocartilage implant grown using the patient's own cartilage cells seeded onto a collagen matrix. A patented, high-pressure tissue engineering processor is said to produce more natural neocartilage than other techniques. In addition, the NeoCart system includes a novel bioadhesive which makes implantation quick and easy.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05258","Name":"Natural alpha interferon","DrugType":"biotech","HalfLife":"","Description":"Natural interferon alpha or Multiferon is obtained from the leukocyte fraction of human blood following induction with Sendai virus. Interferon alfa contains several naturally occurring IFN-α subtypes and is purified by affinity chromatography. Interferon alpha proteins are mainly involved in innate immune response against viral infection. They come in 13 subtypes that are called IFNA1, IFNA2, IFNA4, IFNA5, IFNA6, IFNA7, IFNA8, IFNA10, IFNA13, IFNA14, IFNA16, IFNA17, IFNA21. Multiferon consists of the 6 major subtypes are IFN-α1, IFN-α2, IFN-α8, IFN-α10, IFN-α14 and IFN-α21. Of these, IFN-α2 and IFN-α14 are glycosylated.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hepatitis (viral, C), leukemia (lymphoid), leukemia (myeloid), leukemia (unspecified), and melanoma.","Toxicity":"","MechanismOfAction":"Natural alpha interferon offers multiple subtypes of interferon which may work together as a 'cocktail-in-one', while recombinant versions only exhibit a single subtype.\" Viragen offers MultiferonT at a cost which is competitive with recombinant interferon regimens.\r\n\r\nNatural alpha interferon contains the multiple subtype composition that is characteristic of interferon produced by the human body. It is believed that this results in a broader spectrum of specific anti-viral and immunoregulatory activity with the subtypes acting synergistically to give a wide-ranging response.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05259","Name":"Glatiramer Acetate","DrugType":"biotech","HalfLife":"","Description":"Glatiramer acetate consists of the acetate salts of synthetic polypeptides, containing four naturally occurring amino acids: L-glutamic acid, L-alanine, L-tyrosine, and L-lysine with an average molar fraction of 0.141, 0.427, 0.095, and 0.338, respectively. The average molecular weight of glatiramer acetate is 5,000-9,000 daltons. It is an immunomodulator, licensed in much of the world for reduced frequency of relapses in relapsing-remitting multiple sclerosis","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For reduction of the frequency of relapses in patients with Relapsing-Remitting Multiple Sclerosis.","Toxicity":"Adverse reactions include injection site reactions, vasodilatation, chest pain, asthenia, infection, pain, nausea, arthralgia, anxiety, and hypertonia.","MechanismOfAction":"Glatiramer acetate (GA) exhibits strong and promiscuous binding to MHC molecules (HLA DRB1* variants) and consequent competition with various myelin antigens for their presentation to T cells. A further aspect of its action is potent induction of specific suppressor cells of the T helper 2 (Th2) type that migrate to the brain and lead to in situ bystander suppression. Furthermore, the GA-specific cells in the brain express the anti-inflammatory cytokines IL-10 and transforming growth factor beta, in addition to brain-derived neurotrophic factor, whereas they do not express the inflammatory cytokine IFN-gamma. Recent evidence also suggests that Glatiramer acetate directly inhibits dendritic cells and monocytes - both of which are circulating antigen presenting cells.","Pharmacodynamics":"Glatiramer acetate was originally designed to mimic a protein in myelin, called myelin basic protein, with the intention of inducing EAE (an animal model of MS). Quite to the contrary, it was found to suppress the disease and as a result came to be trialed in human MS. There is some evidence that Glatiramer acetate converts the body's immune response from a Th1 type to a Th2 one, promotes suppressor T cells or acts as an altered peptide ligand. Studies in animals and in vitro systems suggest that upon its administration, glatiramer acetate-specific suppressor T-cells are induced and activated in the periphery. Some fraction of the injected material, either intact or partially hydrolyzed, is presumed to enter the lymphatic circulation, enabling it to reach regional lymph nodes, and some may enter the systemic circulation intact.","Absorption":"","Interactions":[{"ID":"DB06643"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB06372"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05260","Name":"Gallium nitrate","DrugType":"small molecule","HalfLife":"Alpha: 1 hour. Beta: 24 hours, but lengthens to 72 to 115 hours with prolonged intravenous infusion.","Description":"Gallium nitrate is a drug that is used to treat hyper-calcemia, or too much calcium in the blood. This condition may occur when individuals develop various types of cancer. Gallium nitrate is also known by the common brand name Ganite.","Classification":{"Description":"This compound belongs to the post-transition metal nitrates. These are inorganic compounds in which the largest oxoanion is nitrate, and in which the heaviest atom not in an oxoanion is a post-transition metal.","DirectParent":"Post-transition Metal Nitrates","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Post-transition Metal Oxoanionic Compounds","SubClass":"Post-transition Metal Nitrates"},"Indication":"For the treatment of hypercalcemia. Also intended for the treatment of non-hodgkin's lymphoma.","Toxicity":"","MechanismOfAction":"Gallium nitrate is believed to exert a hypocalcemic effect by inhibiting calcium resorption from bone. Gallium nitrate localizes preferentially where bone resorption and remodeling is occurring, and inhibits osteoclast activity. Inhibition of resorption may occur via a reduction in increased bone turnover. It seems to enhance hydroxyapatite function, inhibit osteocalcin, and inhibit the vacuolar ATPase on the osteoclast ruffled membrane. All these aid in the reduction of bone resorption.","Pharmacodynamics":"Gallium nitrate exerts hypocalcemic effect by inhibiting calcium resorption from bone, possibly by stabilizing bone matrix, thereby reducing increased bone turnover. Gallium nitrate inhibits the growth of various lymphoma cell lines in vitro and exhibits antitumor activity in patients with lymphoma. The mechanism(s) of cytotoxicity is (are) only partly understood but appears to involve a two-step process: (1) targeting of gallium to cells, and (2) acting on multiple, specific intracellular processes. Gallium shares certain chemical properties with iron; therefore, it binds avidly to the iron transport protein transferrin. Transferrin-gallium complexes preferentially target cells that express transferrin receptors on their surface. Expression of transferrin receptors is particularly high on lymphoma cells. Cellular uptake of the gallium-transferrin complex leads to inhibition of cellular proliferation primarily via disruption of iron transport and homeostasis and blockade of ribonucleotide reductase. Recent studies have shown that cellular uptake of gallium leads to activation of caspases and induction of apoptosis. In phase II trials in patients with relapsed or refractory lymphoma, the antitumor activity of gallium nitrate is similar to, or better than, that of other commonly used chemotherapeutic agents. ","Absorption":"","Interactions":[{"ID":"DB00512"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05262","Name":"Oxypurinol","DrugType":"small molecule","HalfLife":"23.3 +/- 6.0 hours","Description":"Oxypurinol, an inhibitor of xanthine oxidase, is a metabolite of allopurinol.","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"Intended for the treatment of congestive heart failure and hyperuricemia.","Toxicity":"","MechanismOfAction":"Oxypurinol inhibits the enzyme xanthine oxidase, blocking the conversion of the oxypurines hypoxanthine and xanthine to uric acid. Elevated concentrations of oxypurine and oxypurine inhibition of xanthine oxidase through negative feedback results in a decrease in the concentrations of uric acid in the blood and urine. Oxypurinol also facilitates the incorporation of hypoxanthine and xanthine into DNA and RNA, resulting in further reductions of serum uric acid concentrations.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05263","Name":"Caprospinol","DrugType":"small molecule","HalfLife":"","Description":"Caprospinol (SP-233) is the first drug ever to demonstrate the correlation of clearing beta-amyloid from the brain. It also improves the brain histopathology and recovers memory function.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Alzheimer's Disease","Toxicity":"","MechanismOfAction":"Caprospinol cleared beta-amyloid plaque formation and restored memory capacity in-vivo; confirming in-vitro studies showing Caprospinol binds ß-amyloid directly and inhibits the formation of neurotoxic amyloid-derived diffusible ligands (ADDLs) by forming stable heavy complexes with the peptide. In addition, the studies demonstrated Caprospinol protects mitochondria function, thus protecting cell viability and decreased cell death.\r\n\t\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05264","Name":"NPI 32101","DrugType":"small molecule","HalfLife":"","Description":"NPI 32101 possesses both anti-inflammatory and broad spectrum antimicrobial activities. This combination of pharmacological properties may have additional therapeutic uses beyond dermatology.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Atopic dermatitis","Toxicity":"","MechanismOfAction":" NPI 32101 cream serves as a broad-spectrum antimicrobial barrier to organisms including Pseudomonas aeruginosa and Staphylococcus aureus, including strains resistant to Methicillin (MRSA). NPI 32101 has dual action against both the vegetative and spore forms of C. difficile could lead to a first-in-class drug that both treats and prevents disease recurrence.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05265","Name":"Ecabet","DrugType":"small molecule","HalfLife":"","Description":"Ecabet is a prescription eye drop for the treatment of dry eye syndrome. Ecabet represents a new class of molecules that increases the quantity and quality of mucin produced by conjunctival goblet cells and corneal epithelia. Mucin is a glycoprotein component of tear film that lubricates while retarding moisture loss from tear evaporation. Ecabet is currently marketed in Japan as an oral agent for treatment of gastric ulcers and gastritis.","Classification":{"Description":"This compound belongs to the diterpenes. These are terpene compounds formed by four isoprene units.","DirectParent":"Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"For the treatment of reflux oesophagitis and peptic ulcer disease.","Toxicity":"","MechanismOfAction":"Ecabet reduces the survival of H. pylori in the stomach and inhibits pepsin activity in the gastric juice of experimental animals. Here we have investigated the effects of ecabet on some of the factors involved in the dynamics of the mucosal barrier, i.e. pepsins and mucins. Pepsin, acid and Helicobacter pylori are major factors in the pathophysiology of peptic ulcer disease and reflux oesophagitis. Ecabet also acts as an inhibitor of H. pylori NADPH oxidase as well as urease. Inhibition of these enzymes prevents bacterial adhesion to gastric mucosa.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000062","Name":"Ecabet sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05266","Name":"Ibudilast","DrugType":"small molecule","HalfLife":"19 hours","Description":"Ibudilast is an anti-inflammatory and neuroprotective oral agent which shows an excellent safety profile at 60 mg/day and provides significantly prolonged time-to-first relapse and attenuated brain volume shrinkage in patients with relapsing-remitting (RR) and/or secondary progressive (SP) multiple sclerosis (MS). Ibudilast is currently in development in the U.S. (codes: AV-411 or MN-166), but is approved for use as an antiinflammatory in Japan.","Classification":{"Description":"This compound belongs to the pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine.","DirectParent":"Pyrazolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyridines","SubClass":""},"Indication":"For the treatment of multiple sclerosis, asthma, and cerebrovascular disease.","Toxicity":"Neuroprotective role of phosphodiesterase inhibitor ibudilast on neuronal cell death induced by activated microglia","MechanismOfAction":"Ibudilast has mechanisms that include anti-inflammatory effects, such as phosphodiesterase inhibition, and neuroprotective effects, such as inhibition of [nitric oxide] synthesis and reduction in reactive oxygen species.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05268","Name":"iCo-007","DrugType":"small molecule","HalfLife":"","Description":"iCo-007 (formerly known as ISIS 13650) is a second generation antisense compound being developed by iCo for the treatment of various eye diseases caused by the formation of new blood vessels (angiogenesis) such as age-related macular degeneration (AMD) and diabetic retinopathy(DR).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Various eye diseases","Toxicity":"","MechanismOfAction":"iCo-007 is an antisense inhibitor of c-Raf kinase, an enzyme important in the signal transduction pathway triggered by VEGF as well as other important growth factors. In preclinical studies, antisense inhibition of c-Raf kinase was associated with a reduction in the formation of new blood vessels in the eye, suggesting c-Raf kinase inhibition could be valuable in the treatment of both AMD and diabetic retinopathy.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05269","Name":"AST-120","DrugType":"small molecule","HalfLife":"","Description":"AST-120 is an orally administered adsorbent used to slow the progression of chronic kidney disease (CKD).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Crohn's Disease, Ulcerative Colitis, \r\nCrohn's Disease, Irritable Bowel Syndrome (IBS),and Gastrointestinal Diseases","Toxicity":"","MechanismOfAction":"AST-120 has a high adsorption capacity for bile acids and bacterial toxins and is expected to protect the intestinal mucosa of the pouch from inflammation. Also, AST-120 suppresses the progression of CKD via attenuation of oxidative stress induced by uremic toxin.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05271","Name":"Rotigotine","DrugType":"small molecule","HalfLife":"After removal of the patch, plasma levels decreased with a terminal half-life of 5 to 7 hours. The pharmacokinetic profile showed a biphasic elimination with an initial half-life of 3 hours.","Description":"Rotigotine (Neupro) is a non-ergoline dopamine agonist indicated for the treatment of Parkinson's disease (PD) and restless legs syndrome (RLS) in Europe and the United States. It is formulated as a once-daily transdermal patch which provides a slow and constant supply of the drug over the course of 24 hours.\r\n\r\nLike other dopamine agonists, rotigotine has been shown to possess antidepressant effects and may be useful in the treatment of depression as well.\r\n\r\nRotigotine was developed by Aderis Pharmaceuticals. In 1998, Aderis licensed worldwide development and commercialization rights for rotigotine to the German pharmaceutical company Schwarz Pharma (today a subsidiary of the Belgian company UCB S.A.). The drug has been approved by the EMEA for use in Europe in 2006 and is today being sold in several European countries. In 2007, the Neupro patch was approved by the Food and Drug Administration (FDA) as the first transdermal treatment of Parkinson's disease in the United States. However, as of 2008, Schwarz Pharma has recalled all Neupro patches in the United States and some in Europe because of problems with the delivery mechanism. Rotigotine has been authorized as a treatment for RLS since August 2008.","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"For use/treatment in neurologic disorders and parkinson's disease as well as moderate-to-severe primary Restless Legs Syndrome.","Toxicity":"The most likely symptoms of overdose would be those related to the pharmacodynamic profile of a dopamine agonist, including nausea, vomiting, hypotension, involuntary movements, hallucinations, confusion, convulsions, and other signs of excessive dopaminergic stimulation.","MechanismOfAction":"Rotigotine, a member of the dopamine agonist class of drugs, is delivered continuously through the skin (transdermal) using a silicone-based patch that is replaced every 24 hours. A dopamine agonist works by activating dopamine receptors in the body, mimicking the effect of the neurotransmitter dopamine. The precise mechanism of action of rotigotine as a treatment for Restless Legs Syndrome is unknown but is thought to be related to its ability to stimulate dopamine ","Pharmacodynamics":"Rotigotine is an agonist at all 5 dopamine receptor subtypes (D1-D5) but binds to the D3 receptor with the highest affinity. It is also an antagonist at α-2-adrenergic receptors and an agonist at the 5HT1A receptors. Rotigotine also inhibits dopamine uptake and prolactin secretion. There is no indication of a QT/QTc prolonging effect of Neupro in doses up to 24 mg/24 hours. The effects of Neupro at doses up to 24 mg/24 hours (supratherapeutic doses) on the QT/QTc interval was evaluated in a double-blind, randomized, placebo- and positive-controlled (moxifloxacin 400 mg IV, single dose) parallel-group trial with an overall treatment period of 52 days in male and female patients with advanced-stage Parkinson's disease. Assay sensitivity was confirmed by significant QTc prolongation by moxifloxacin. ","Absorption":"Bioavailability varies depending on the application site. Differences in bioavailability were very small between the abdomen and hip (\u003c1%). In contrast, the shoulder and thigh had a very large different in measured bioavailability (46%), with the shoulder showing the higher value. \r\nTmax, 8 mg dose = 15 - 18 hours (it take approximately 3 hours until rotigotine reaches detectable levels in the plasma). The peak concentration cannot be observered. Steady state is reached in 2-3 days. ","Interactions":[{"ID":"DB00349"},{"ID":"DB01551"},{"ID":"DB00228"},{"ID":"DB01364"},{"ID":"DB00813"},{"ID":"DB00408"},{"ID":"DB01623"},{"ID":"DB00427"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000155","Name":"Rotigotine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB05273","Name":"Samarium (153sm) lexidronam","DrugType":"small molecule","HalfLife":"","Description":"Samarium Sm 153 lexidronam is a radioactive medication used to treat pain caused by cancer that has spread to the bone. It is a radiopharmaceutical. Radiopharmaceuticals are radioactive agents that may be used to diagnose some diseases by studying the function of the body's organs or to treat certain diseases.Samarium Sm 153 lexidronam is used to help relieve the bone pain that may occur with certain kinds of cancer. The radioactive samarium is taken up in the bone cancer area and gives off radiation that helps provide relief of pain.\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bone metastases, multiple myeloma, prostate cancer, and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"Samarium Sm 153 lexidronam targets the sites of new bone formation, concentrating in regions of the bone that have been invaded with metastatic tumor. The drug goes to the source of cancer bone pain and irradiates the osteoblastic tumor sites resulting in relief of pain. The onset of pain relief was experienced as early as one week in the majority of patients.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05275","Name":"transdermal testosterone gel","DrugType":"small molecule","HalfLife":"","Description":"Transdermal Testosterone Gel Improves Sexual Function, Mood, Muscle Strength, and Body Composition Parameters in Hypogonadal Men.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in male hormonal deficiencies/abnormalities and sexual dysfunction (female).","Toxicity":"","MechanismOfAction":"Transdermal testosterone gel application can efficiently and rapidly increase serum T and free T levels in hypogonadal men to within the normal range. ","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01418"},{"ID":"DB00091"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05276","Name":"hepatitis B immune globulin","DrugType":"small molecule","HalfLife":"","Description":"Long-term hepatitis B immune globulin (HBIG) has been shown to reduce hepatitis B virus (HBV) reinfection in patients transplanted for hepatitis B. Infection with hepatitis B may lead to hepatocellular carcinoma, a type of liver cancer. Therefore, the hepatitis-B vaccines are cancer-preventing vaccines. According to the Centers for Disease Control and Prevention (CDC), the hepatitis B vaccine was the first anti-cancer vaccine.[5]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, B), liver transplant surgery, and pediatric indications.","Toxicity":"","MechanismOfAction":"In countries with high rates of hepatitis B infection, vaccination of newborns has not only reduced the risk of infection, but has also led to marked reduction in liver cancer.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05278","Name":"inhaled insulin","DrugType":"small molecule","HalfLife":"","Description":"Inhaled insulin is effective, well tolerated, and well accepted in patients with type 2 diabetes and provides glycemic control comparable to a conventional subcutaneous regimen.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Type 2 Diabetes","Toxicity":"","MechanismOfAction":"Inhaled insulin improved overall glycemic control and hemoglobin A1c level when added to or substituted for dual oral agent therapy with an insulin secretagogue and sensitizer. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05280","Name":"SLV 308","DrugType":"small molecule","HalfLife":"","Description":"SLV-308 (SME-308) is developed by solvay which is, a partial dopamine D2 agonist and noradrenergic agonist with serotonin 5-HT1A agonist properties, for the potential oral treatment of Parkinson's disease (PD), panic and depression.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in depression and parkinson's disease.","Toxicity":"","MechanismOfAction":"SLV308 binds to dopamine D(2), D(3), and D(4) receptors and 5-HT(1) (A) receptors and is a partial agonist at dopamine D(2) and D(3) receptors and a full agonist at serotonin 5-HT(1) (A) receptors. SLV308 combines high potency partial agonism at dopamine D(2) and D(3) receptors with full efficacy low potency serotonin 5-HT(1) (A) receptor agonism and is worthy of profiling in in vivo models of Parkinson's disease.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05281","Name":"S-8184","DrugType":"small molecule","HalfLife":"","Description":"S8184 is a cremophor free, vitamin E based paclitaxel emulsion incorporating a p glycoprotein inhibitor and particle size based tumor targeting designed to reduce toxicity, allow bolus dosing in 15 minutes, and potentially increase efficacy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Ovarian cancer or primary peritoneal carcinoma\r\n\r\n","Toxicity":"","MechanismOfAction":"S-8184 binds to tubulin and inhibits the disassembly of microtubules, thereby resulting in the inhibition of cell division. This agent also induces apoptosis by binding to and blocking the function of the apoptosis inhibitor protein Bcl-2 (B-cell Leukemia 2). The vitamin-E based emulsion allows bolus infusion without steroid premedication and may diminish hypersensitivity reactions; tumor tissue may be passively targeted due to preferential deposition of emulsion particles while an emulsion formulation component inhibits the P-glycoprotein drug efflux pump.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05282","Name":"MCC","DrugType":"small molecule","HalfLife":"","Description":"Mycobacterial Cell Wall-DNA Complex (MCC) is formulated from Mycobacterium phlei, a non-pathogenic strain of mycobacteria. MCC has been shown to have immune stimulatory and apoptosis (programmed cell death) activity against cancer cells. The product is a sterile biological composition in a sub-micron suspension. It is produced at the Bioniche manufacturing facility in Pointe-Claire, Quebec.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Bladder cancer","Toxicity":"","MechanismOfAction":"MCC has a therapeutic potential in high grade transitional cell carcinomas of the bladder, including refractory CIS. The combination of MCC with hyaluronic acid (HA) enhances both the apoptosis-inducing activity of MCC against prostate cancer cell lines, and the immune stimulatory activity of MCC (stimulation of anticancer cytokine synthesis by human immune effector cells). \r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05283","Name":"HIIP","DrugType":"small molecule","HalfLife":"","Description":"(HIIP)Air insulin has been developed to deliver dry powder insulin to the deep lung. Pharmacokinetic and glucodynamic data in Phase 1 clinical trials have demonstrated that AIR Insulin is rapidly absorbed with prolonged insulin exposure and action compared to insulin lispro. HIIP, has been demonstrated to be easy to use and requires minimal patient education, which may improve overall medication compliance.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 1 and 2.","Toxicity":"","MechanismOfAction":"The AIR® Inhaled Insulin System utilizes relatively large, low-density particles, allowing efficient drug delivery to the deep lung from a simple inhaler.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05284","Name":"CA4P","DrugType":"small molecule","HalfLife":"","Description":"CA4P (Combretastatin)has been shown in the laboratory to shut down the blood supply to tumours. It is one of the first vascular targeting drugs to be tested in patients. This drug was originally isolated from the African Bush Willow. The first studies in patients with this drug were aimed at finding out whether it can be safely given to patients, what side effects it produces and whether it can actually shut down the blood supply to human tumours. ","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"CA4P binds tubulin with a higher efficacy than colchicines, and was therefore initially investigated as an anti-mitotic agent. However, it was later observed to also induce vascular shutdown and necrosis in tumours. Clinical trials have revealed its positive effects, either as a single agent or in combination with chemotherapy, in patients with ovarian, lung or anaplastic thyroid cancer.\r\nBiochemical analyses revealed that CA4P rapidly diminished the tyrosine phosphorylation of VE-cadherin and beta-catenin, thereby blocking the endothelial signalling pathway that is necessary for maintaining a functional endothelial cell structure and survival.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05285","Name":"SB-249553","DrugType":"small molecule","HalfLife":"","Description":"SB-249553 is a vaccine that has MAGE-3 cancer antigen and the Adjuvant SBAS-2. It is also under by GlaxoSmithKline to treat melanoma and lung cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"lung cancer/melanoma\t","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05286","Name":"FTY 720","DrugType":"small molecule","HalfLife":"","Description":"FTY-720 is an orally active immunosuppressant, under development by Mitsubishi Pharma for use in transplantation and autoimmune diseases. It reduces the number of lymphocytes in the blood by redirecting them to the lymph nodes. FTY-720 is currently in phase II evaluation in a cohort of kidney transplant patients and is expected to enter phase II trials this year with registration filing expected in 2005, with launch in 2006.","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Investigated for use/treatment in immunosuppressive, multiple sclerosis, and transplant (rejection).","Toxicity":"","MechanismOfAction":"FTY720 is the first of a new drug class: sphingosine-1-phosphate receptor agonist. Its effect relates to the modulation of lymphocytes trafficking from blood and peripheral tissues to the lymph nodes. Unlike conventional immunosuppressants, FTY720 does not impair the activation, proliferation, or effector functions of T and B cells","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05288","Name":"anecortave acetate","DrugType":"small molecule","HalfLife":"","Description":"Anecortave acetate (Retaane) is an analog of cortisol acetate; among the modifications to the steroid are the removal of the 11ß hydroxyl OH group and an addition of a 21-acetate group. As a result of these modifications, anecortave acetate lacks the typical antiinflammatory and immunosuppressive properties of glucocorticoids.Alcon Inc. is developing and marketing Retaane.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"Investigated for use/treatment in glaucoma and macular degeneration.","Toxicity":"","MechanismOfAction":"Anecortave acetate functions as an antiangiogenic agent, inhibiting blood vessel growth by decreasing extracellular protease expression and inhibiting endothelial cell migration. Its angiostatic activity does not seem to be mediated through any of the commonly known pharmacological receptors. (Ophthalmology 2004;111:2316-7) RETAANE blocks signals from multiple growth factors because it acts downstream and independent of the initiating angiogenic stimuli and inhibits angiogenesis subsequent to the angiogenic stimulation. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05289","Name":"MPC-7869","DrugType":"small molecule","HalfLife":"","Description":"FLURIZAN tarenflurbil is an investigational drug being studied in patients with mild Alzheimer's disease. It is a selective amyloid lowering agent (SALA) that reduces levels of the toxic peptide amyloid beta 42 (Aβ42) in cultured human cells and in animal models. Aβ42 is the primary initiator of neurotoxicity and amyloid plaque development in the brains of Alzheimer's disease patients.","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"Investigated for use/treatment in alzheimer's disease and prostate cancer.","Toxicity":"","MechanismOfAction":"MPC-7869 is not an inhibitor of cyclooxygenase enzymes (COX-1 and COX-2). The compound modulates the signal transduction and transcription activation pathways associated with nuclear factor kappaB (NFkappaB), a principle transcription factor in the expression of many molecules involved in cell growth, cell death and inflammation. In addition, MPC-7869 has recently been shown to modulate gamma-secretase and selectively lower levels of Abeta42 peptide in vitro and in vivo, and to reduce amyloid pathology in the brain. MPC-7869 has an excellent safety profile and is very potent in animal models of cancer and Alzheimer's disease. In transgenic mouse studies, MPC-7869 reduced brain amyloid levels and prevented memory loss.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05290","Name":"SPP 301","DrugType":"small molecule","HalfLife":"","Description":"SPP301 (Avosentan) is a potent and highly selective ET[A] receptor blocker and is clinically investigated in diabetic nephropathy. This study was designed to evaluate whether avosentan influences the pharmacokinetics of steroid oral contraceptives.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders and neuropathy (diabetic).","Toxicity":"","MechanismOfAction":"Avosentan has effect on the concentration levels of ethinylestradiol and progesterone. That’s why it is possible that the contraceptive efficacy of low-dose combination oral contraceptives may be adversely affected during avosentan treatment.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05291","Name":"lidocaine patch","DrugType":"small molecule","HalfLife":"","Description":"The lidocaine patch is composed of an adhesive material containing 5% lidocaine that is applied to a polyester felt backing. When it is applied to the skin, lidocaine is released into the epidermal and dermal layers of the skin, reducing pain at the site of the dysfunctional nerves damaged by the prior herpes zoster infection. The lidocaine patch provides pain reduction without numbness of the affected skin.","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"The lidocaine patch relieves pain and discomfort by blocking signals sent to nerve endings in the skin. Almost 20% of the one million Americans who develop shingles yearly experience long-term pain after the infection has resolved. People over age 60 are especially prone to postherpetic neuralgia.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05292","Name":"IDM-1","DrugType":"small molecule","HalfLife":"","Description":"IDM-1 is IDM’s most advanced antibody-based Cell drug for the treatment of cancer. It is comprised of MAK(Monocytes-derived Activated Killer) cells associated with MDX-210, a bispecific anti-HER-2/neu antibody developed by Medarex Inc.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Ovarian cancer","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05293","Name":"IDM-2","DrugType":"small molecule","HalfLife":"","Description":"IDM-2 is composed of Monocyte-derived Activated Killer (MAK) cells. IDM produces MAK cells from the patient's own white blood cells by activating these cells ex vivo to allow them to recognize and destroy tumor cells.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bladder cancer.","Toxicity":"","MechanismOfAction":"MAK cells are produced ex-vivo from macrophages taken from the patient that are activated with the use of gamma interferon, a synthetic version of a natural activator. Following surgery for bladder cancer, IDM-2 is instilled directly into the bladder.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05294","Name":"Vandetanib","DrugType":"small molecule","HalfLife":"Median half life of 19 days.","Description":"Vandetanib is an oral once-daily kinase inhibitor of tumour angiogenesis and tumour cell proliferation with the potential for use in a broad range of tumour types.\r\n\r\nOn April 6 2011, vandetanib was approved by the FDA to treat nonresectable, locally advanced, or metastatic medullary thyroid cancer in adult patients. ","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"Vandetanib is currently approved as an alternative to local therapies for both unresectable and disseminated disease. Because Vandetanib can prolong the Q-T interval, it is contraindicated for use in patients with serious cardiac complications such as congenital long QT syndrome and uncompensated heart failure. ","Toxicity":"","MechanismOfAction":"ZD-6474 is a potent and selective inhibitor of VEGFR (vascular endothelial growth factor receptor), EGFR (epidermal growth factor receptor) and RET (REarranged during Transfection) tyrosine kinases. \r\n\r\nVEGFR- and EGFR-dependent signalling are both clinically validated pathways in cancer, including non-small-cell lung cancer (NSCLC). RET activity is important in some types of thyroid cancer, and early data with vandetanib in medullary thyroid cancer has led to orphan-drug designation by the regulatory authorities in the USA and EU.\r\n","Pharmacodynamics":"Mean IC50 of approximately 2.1 μg/mL.","Absorption":"Slow- peak plasma concentrations reached at a median 6 hours. On multiple dosing, Vandetanib accumulates about 8 fold with steady state reached after around 3 months. ","Interactions":[{"ID":"DB00559"},{"ID":"DB00564"},{"ID":"DB01234"},{"ID":"DB00625"},{"ID":"DB06414"},{"ID":"DB01320"},{"ID":"DB00607"},{"ID":"DB00238"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB01323"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB05295","Name":"ED-71","DrugType":"small molecule","HalfLife":"","Description":"ED-71, a vitamin D analog, is a more potent inhibitor of bone resorption than alfacalcidol in an estrogen-deficient rat model of osteoporosis. ED-71, effectively and safely increased lumbar and hip bone mineral density (BMD) in osteoporotic patients who also received vitamin D3 supplementation.","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"Investigated for use/treatment in osteoporosis.","Toxicity":"","MechanismOfAction":"ED-71 [1a,25-DIHYDROXY-2ß-(3-hydroxypropoxy)vitamin D3] is an analog of 1a,25-dihydroxyvitamin D3 [1,25(OH)2D3], bearing a hydroxypropoxy residue at the 2b position. ED-71 is also effect in increasing bone mass and was able to enhance bone strength in rodents. It binds to the vitamin D receptor (VDR) with less affinity but binds to vitamin D-binding protein with higher affinity than 1,25(OH)2D, showing a long half-life in plasma.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05296","Name":"motexafin lutetium","DrugType":"small molecule","HalfLife":"","Description":"Motexafin lutetium (MLu) is a second-generation photosensitizer for photodynamic therapy (PDT) of cancer.\r\nIt belongs to the family of drugs called metallotexaphyrins. Also called lutetium texaphyrin.\r\nMotexafin lutetium is a pentadentate aromatic metallotexaphyrin with photosensitizing properties. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in brain cancer, breast cancer, cervical dysplasia/cancer, prostate cancer, cancer/tumors (unspecified), coronary artery disease, macular degeneration, and peripheral vascular disease.","Toxicity":"","MechanismOfAction":"Motexafin lutetium has the potential to combine the features of selective localization, ability to be activated by deeply penetrating far-red light, low incidence of skin photosensitization and water solubility. The product is in clinical development as a treatment for several types of solid tumors (as Lutrin), age-related macular degeneration (as Optrin), atherosclerosis and prevention of restenosis (as Antrin). Motexafin lutetium preferentially accumulates in tumor cells due to their increased rates of metabolism and absorbs light, forming an extended high energy conformational state that produces high quantum yields of singlet oxygen, resulting in local cytotoxic effects.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05297","Name":"DHA-paclitaxel","DrugType":"small molecule","HalfLife":"","Description":"A combination of DHA (a natural fatty acid) and paclitaxel (an anticancer drug) being studied in the treatment of cancer. It is a type of mitotic inhibitor.","Classification":{"Description":"This compound belongs to the taxanes and 11(15-\u003e1)abeotaxanes. These are diterpenes whose structure is based on the taxane or 11(15-\u003e1)abeaotaxane skeleton, which is characterized by a 6-8-6 tricyclic ring system.","DirectParent":"Taxanes and 11(15-\u003e1)Abeotaxanes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"Investigated for use/treatment in breast cancer, colorectal cancer, gastric cancer, kidney cancer, lung cancer, pancreatic cancer, prostate cancer, and skin cancer.","Toxicity":"","MechanismOfAction":"A prodrug comprised of the naturally occurring omega-3 fatty acid docosahexaenoic acid (DHA) covalently conjugated to the anti-microtubule agent paclitaxel. Because tumor cells take up DHA, DHA-paclitaxel is delivered directly to tumor tissue, where the paclitaxel moiety binds to tubulin and inhibits the disassembly of microtubules, thereby resulting in the inhibition of cell division. Paclitaxel also induces apoptosis by binding to and blocking the function of the apoptosis inhibitor protein Bcl-2 (B-cell Leukemia 2). DHA-paclitaxel exhibits improved pharmacokinetic and toxicity profiles when compared to conventional paclitaxel and has demonstrated antineoplastic activity in animal models of cancer.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05298","Name":"OPC-6535","DrugType":"small molecule","HalfLife":"","Description":"OPC-6535 is a new class of anti-inflammatory agent and phophodiasterase inhibitor.","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.","DirectParent":"Pyridinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"Investigated for use/treatment in ulcerative colitis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05299","Name":"keyhole limpet hemocyanin","DrugType":"biotech","HalfLife":"","Description":"keyhole limpet hemocyanin is an immune modulators, given as a vaccine to help the body respond to cancer. A natural protein isolated from the marine mollusc keyhole limpet. Keyhole limpet hemocyanin is an immunogenic carrier protein that, in vivo, increases antigenic immune responses to haptens and other weak antigens such as idiotype proteins.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in bladder cancer and solid tumors.","Toxicity":"","MechanismOfAction":"Keyhole Limpet Hemocyanin (KLH) is generally a very efficient coupling agent. It is the most common carrier protein used in the preparation of hapten conjugates. KLH is composed of five subunits. It is lysine rich with a large number of available primary amines to facilitate conjugation, antibody production and promote peptide attachment after dissociation.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05300","Name":"PTI-801","DrugType":"small molecule","HalfLife":"","Description":"PTI-801 represents a new class of drugs to treat pain. PTI-801 can minimize the opioid tolerance, dependence or addiction that is often associated with repeat use of oxycodone.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in addictions, osteoarthritis, and pain (acute or chronic).","Toxicity":"","MechanismOfAction":"PTI-801 is a novel form of oxycodone that minimizes the abuse and drug dependence that is often associated with oxycodone and other narcotic painkillers. The goal of developing PTI-801 is to ensure the safety of patients who have a legitimate medical need to treat severe chronic pain with a narcotic painkiller, and to protect the public from the consequences of abuse.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05301","Name":"LAX-101","DrugType":"small molecule","HalfLife":"","Description":"LAX-101 treats hungtington’s disease, not just the symptoms but the disease itself. The active molecule in LAX-101 is Eicosapentaenoic Acid (EPA). All molecules of EPA are identical. The molecules of EPA found in LAX-101 are identical to the molecules of EPA found in fish oil food supplements.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in depression and huntington's disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"LAX-101, a novel and proprietary compound that inhibits certain harmful enzymes including phospholipases and caspases, represents a new class of drugs sometimes referred to as NPLs. This class may function as \"neuroprotectants\" and appears to inhibit degradation of brain tissue by a variety of proposed mechanisms, including stabilization of the phospholipid components of cell membranes and mitochondria, cell structures that are important in cell regulation and brain function. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05302","Name":"naltrexone depot","DrugType":"small molecule","HalfLife":"","Description":"Naltrexone depot produced statistically significant blockade of opiate effects for six weeks as measured by subjective rating scales and measurement of pupil size.","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"Investigated for use/treatment in alcohol dependence.","Toxicity":"","MechanismOfAction":" Naltrexone depot blocks the effects of hydromorphone, an opiate similar in effects to heroin.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05303","Name":"OMS-103HP","DrugType":"small molecule","HalfLife":"","Description":"OMS103HP is the first drug being developed to improve joint function following arthroscopic surgery, one of the most common procedures performed today by orthopedic surgeons.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in inflammatory disorders (unspecified), knee replacement, orthopedic surgery, and pain (acute or chronic).","Toxicity":"","MechanismOfAction":"OMS-103HP is used to inhibit inflammation and pain associated with arthroscopy, provided statistically significant improvement in postoperative pain reduction, joint motion and recovery of function. It is a unique product that is added to standard irrigation solutions and perfused through the joint during arthroscopic surgery.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05304","Name":"WX-G250","DrugType":"small molecule","HalfLife":"","Description":"WX-G250 is a monoclonal chimeric (mouse/human) antibody directed against carbonic anhydrase IX, an antigen expressed in 95% of clear cell renal cell carcinomas (RCC). ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in gall bladder cancer and renal cell carcinoma.","Toxicity":"","MechanismOfAction":"Mechanism of action of WX-G250 is antibody dependent cellular cytotoxicity (ADCC). As a monotherapy in metastatic renal cell carcinomas(RCC),WX-G250 demonstrated minimal clinical activity with a 3% partial response rate and a median survival of 16 months. In vitro data suggest that the number of activated ADCC effector cells can be upregulated by low dose interleukin 2 (IL2) administered in a pulsatile fashion.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05305","Name":"Cintredekin Besudotox","DrugType":"biotech","HalfLife":"","Description":"Cintredekin besudotox has been developed as a specific tumor-targeting agent, which is administered by positive-pressure convection-enhanced delivery (CED) directly to brain tissue at risk for residual infiltrating glioblastoma multiforme (GBM) after tumor resection. cintredekin besudotox is made from a human protein, Interleukin 13 (IL13), linked to a bacterial toxin, Pseudomonas exotoxin (PE). The IL13 portion binds to receptors on the tumor.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in brain cancer.","Toxicity":"","MechanismOfAction":"A recombinant chimeric protein with potent antitumor activity. Cintredekin besudotox is composed of interleukin-13 (IL13), a pleiotropic immunoregulatory cytokine, linked to a mutated form of pseudomonas exotoxin A; this agent targets and kills tumor cells that express the IL13 receptor (IL13R). The IL13 moiety attaches to the IL13R on the tumor cell membrane, facilitating the entry of the exotoxin. The exotoxin moiety induces caspase-mediated apoptosis of tumor cells via a mechanism involving mitochondrial damage; it also catalyzes the transfer of ADP ribose from nicotinamide adenine dinucleotide (NAD) to elongation factor-2 in eukaryotic cells, thereby inactivating elongation factor 2 and inhibiting protein synthesis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05306","Name":"Alferminogene Tadenovec","DrugType":"biotech","HalfLife":"","Description":"Alferminogene Tadenovec is Cardium’s lead product candidate, is being developed for the potential treatment of myocardial ischemia that gives rise to angina symptoms associated with coronary heart disease. Alferminogene tadenovec represents a new therapeutic class of biologics designed to promote angiogenesis and thereby improve blood flow following a one-time intracoronary administration from a standard cardiac infusion catheter.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in angina, coronary artery disease, and heart disease.","Toxicity":"","MechanismOfAction":"Alferminogene tadenovec holds the potential to promote a disease-modifying improvement by leveraging the body’s natural healing processes in response to myocardia ischemia (insufficient blood flow and myocardial oxygen supply). Angiogenesis, the growth of new collateral blood vessels, is a natural biologic response to repeated myocardial ischemia. These newly formed vessels provide alternate routes of blood flow and oxygen delivery to parts of the patient’s heart downstream from a blockage in a coronary artery. In many patients however, including those with recurrent angina, coronary collateral vessel formation is insufficient to meet the heart’s needs during stress. Currently available anti-anginal drugs, which may provide symptomatic relief, are generally designed to alter the oxygen demand of the heart muscle or dilate vessels to temporarily relieve angina. Alferminogene tadenovec is designed to promote the heart’s natural response of collateral growth and to increase blood flow in the microcirculation.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05307","Name":"CHF-1512","DrugType":"small molecule","HalfLife":"","Description":"CHF1512 is a methyl-ester of levodopa (LDME), melevodopa, combined with the decarboxylase inhibitor carbidopa.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in parkinson's disease.","Toxicity":"","MechanismOfAction":"CHF1512 is a safe, well tolerated and effective drug, resulting in a significantly faster onset of action, a significant decrease of the daily experience of disabling motor impairment and uncontrolled movements (dyskinesias) as well as a potential improvement in the functional ability, quality of life and non-motor symptoms associated with the disease.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05308","Name":"ANX-510","DrugType":"small molecule","HalfLife":"","Description":"ANX-510 (CoFactor) is a folate-based biomodulator drug being developed to enhance the activity and reduce associated toxicity of the widely used cancer chemotherapy, 5-fluorouracil (5-FU). CoFactor use with 5-FU is being evaluated in clinical trials in first line treatment of metastatic colorectal cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer, colorectal cancer, gall bladder cancer, and pancreatic cancer.","Toxicity":"","MechanismOfAction":"ANX-510(CoFactor) enhances 5-FU activity to inhibit cancer growth by creating more stable binding of a metabolite of 5-FU, called 5-fluorodeoxyuracil monophosphate (FdUMP) to the target enzyme, thymidylate synthase (TS). Numerous preclinical and two clinical studies suggest that CoFactor provides a greater clinical benefit compared with the approved 5-FU biomodulator, leucovorin, which must undergo chemical conversion to become the active form of folate. As CoFactor is the active metabolite of leucovorin, CoFactor circumvents the chemical pathway that is required by leucovorin. CoFactor is able to directly deliver the active form of folate improving 5-FU performance with lower toxicity.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05309","Name":"TP-508","DrugType":"small molecule","HalfLife":"","Description":"TP508 is a non-proteolytic synthetic peptide representing the portion of human thrombin originally identified as the fibroblast high-affinity receptor binding domain. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bone fractures, diabetic foot ulcers, and wounds.","Toxicity":"","MechanismOfAction":"TP508 is a 23-amino-acid peptide representing the receptor-binding domain of thrombin, and is thought to work by mimicking the ability of thrombin to activate platelets and a cascade of growth factors and enzymes that initiate and regulate the healing process. Although not tested with allografts, TP508/Chrysalin has been shown to improve fracture healing in experimental models and its application is associated with upregulation of angiogenic genes.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05310","Name":"FP-1096","DrugType":"small molecule","HalfLife":"","Description":"FP1096 reduced the painful symptoms of endometriosis in trial subjects with very minimal side effect.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in endometriosis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05311","Name":"DX-88","DrugType":"small molecule","HalfLife":"","Description":"DX-88, a novel Kunitz domain produced by phage display (a powerful method of generating novel binders to potentially therapeutic targets), is a potent and selective inhibitor of plasma kallikrein which demonstrates a useful efficacy/safety ratio in the treatment of acute attacks of HAE(Hereditary Angioedema).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in angioedema.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05312","Name":"NVS antibody","DrugType":"small molecule","HalfLife":"","Description":"This drug has been developed using Medarex's UltiMAb Human Antibody Development System to treat autoimmune diseases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in autoimmune diseases and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05313","Name":"MP4","DrugType":"small molecule","HalfLife":"","Description":"MP4 is a hemoglobin-based oxygen carrier designed to serve as an alternative for blood transfusions. It is free of harmful vasoactivity and provides targeted oxygen delivery to tissues at risk of oxygen deprivation.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hemorrhage and transfusion.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05314","Name":"DN-101","DrugType":"small molecule","HalfLife":"","Description":"DN-101 is produced by Novacea Inc. OHSU and Beer have significant financial interest in Novacea Inc., a company that has a commercial interest in the results of this research and technology. It is a newly formulated pill that contains high amounts of calcitriol, a naturally occurring hormone and the biologically active form of vitamin D.","Classification":{"Description":"This compound belongs to the vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.","DirectParent":"Vitamin D and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Vitamin D and Derivatives"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), lung cancer, myelodysplastic syndrome, and prostate cancer.","Toxicity":"","MechanismOfAction":"DN-101 delivers activated vitamin D in amounts that are far higher than the natural levels of this hormone.\r\nDN-101 provides Myelodysplastic Syndrome (MDS)MDS patients with high doses of calcitriol in a pill form. DN-101 in combination with docetaxel seems to improve overall survival and, interestingly, has a favorable safety profile compared with docetaxel alone.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05315","Name":"MC-1","DrugType":"small molecule","HalfLife":"","Description":"Medicure's MC-1 drug is a cardio-protectant, designed to reduce the damage to the heart when arteries are blocked and when they are subsequently reopened after bypass surgery.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in coronary artery disease.","Toxicity":"","MechanismOfAction":"MC-1 is a biologically active natural product which can be regarded as a chemical entity that has been evolutionarily selected and validated for binding to particular protein domains. Thus, its underlying structural architecture, or scaffold, has already been biologically established as safe and active, providing a powerful guiding principle for novel drug and library development.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05316","Name":"ACP-103","DrugType":"small molecule","HalfLife":"","Description":"ACP-103 is a potent and selective 5-HT2A inverse agonist, as a co-therapy for schizophrenia. ACP-103 is a novel therapy for schizophrenia to be used in combination with currently available antipsychotic drugs including haloperidol, Zyprexa, Risperdal and Seroquel.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in neurologic disorders, parkinson's disease, psychosis, schizophrenia and schizoaffective disorders, and sleep disorders.","Toxicity":"","MechanismOfAction":"ACP-103 reduces haloperidol-induced akathisia, a debilitating extrapyramidal side effect (EPS), in patients with schizophrenia. ACP-103 is a 5-HT2A inverse agonist, to reduce the side effects associated with antipsychotic drug treatment with haloperidol. ACP-103 reduced both the motor disturbances and hyperprolactinemia, a condition of elevated prolactin secretion, caused by haloperidol treatment.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05317","Name":"TAK-475","DrugType":"small molecule","HalfLife":"","Description":"TAK-475 is a \"squalene synthase inhibitor\", a type of cholesterol-lowering drug that has not yet been brought to market. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hyperlipidemia.","Toxicity":"","MechanismOfAction":"Squalene synthase inhibitors are believed to have potential advantages over statins, which inhibit 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase. HMG-CoA catalyzes the conversion of HMG-CoA to mevalonate and thus serves as the primary rate-limiting enzyme in the hepatic biosynthesis of cholesterol. Squalene synthase acts downstream of mevalonate, catalyzing the dimerization of farnesyl-pyrophosphate to squalene. This is the first step in the cholesterol biosynthetic pathway that is solely committed to the production of cholesterol, and researchers believe that blockade at this site may avoid the effects associated with decreased formation of isoprenolated intermediates and metabolites in the pathway beyond HMG-CoA reductase.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05318","Name":"NGX-4010","DrugType":"small molecule","HalfLife":"","Description":"NGX-4010 is a NeurogesX's novel high-concentration trans-capsaicin dermal patch.","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"Investigated for use/treatment in neurologic disorders, pain (acute or chronic), and post herpetic neuralgia.","Toxicity":"","MechanismOfAction":"NGX-4010 is a topical, physician administered patch containing a high concentration of trans-capsaicin, a synthetic form of the naturally occurring capsaicin and the ingredient that makes chili peppers hot. The patch is designed to act peripherally, or in the skin, where the pain frequently originates, unlike current treatment approaches for neuropathic pain that include opioids and other agents acting on the central nervous system that can cause drowsiness or other systemic side effects. Due to the novel patch delivery system and dermal site of action of NGX-4010, the potential for safety issues or side effects that negatively impact quality of life is expected to be low.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05319","Name":"oportuzumab monatox","DrugType":"biotech","HalfLife":"","Description":"VB4-845 is studied in the treatment of certain types of head and neck cancer. VB4-845 is made by linking a monoclonal antibody fragment to a toxic protein that may kill cancer cells. VB4-845 is a fusion protein containing humanized scFv specific for the epithelial cell adhesion molecule, Ep-CAM, a tumor cell-associated target highly expressed on carcinoma cells of epithelial origin and a truncated portion of Pseudomonas exotoxin A.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in bladder cancer and head and neck cancer.","Toxicity":"","MechanismOfAction":"VB4-845 binds to EpCAM (a protein on the surface of epithelial cells and some types of cancer cells). Also called anti-EpCAM-Pseudomonas-exotoxin fusion protein and Proxinium. It targets and kills Ep-CAM-positive tumors by apoptosis. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05320","Name":"ATG-Fresenius S","DrugType":"small molecule","HalfLife":"","Description":"ATG-Fresenius S is a concentrated anti-human T-lymphocyte immunoglobulin preparation derived from rabbits after immunization with a T-lympoblast cell line. ATG-Fresenius S is an immunosuppressive product for the prevention and treatment of acute rejection following organ transplantation.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in immunosuppressive and transplant (rejection).","Toxicity":"","MechanismOfAction":"ATG-Fresenius S works by selective suppression of activated cells, which are responsible for the rejection of transplanted organs. Transplant rejection occurs when the immune system of the patient attacks the newly transplanted organ or tissue from another donor. Rejection occurs because a normal healthy human immune system can distinguish foreign tissues and attempts to destroy them.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05321","Name":"PEG-uricase","DrugType":"biotech","HalfLife":"","Description":"PEG-uricase, a polyethylene glycol (\"PEG\") conjugate of recombinant porcine uricase (urate oxidase), which breaks down the uric acid deposits is being studied in Phase III clinical trials for the treatment of severe, treatment-refractory gout in the United States in 2006.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hyperuricemia.","Toxicity":"","MechanismOfAction":"PEG-uricase is a recombinant, PEGylated formulation of a modified porcine urate oxidase intended to dramatically lower the blood level of uric acid safely and continuously in patients who have not benefited from conventional therapeutic approaches. Urate oxidase is a hepatic enzyme present in almost all mammals – but not in humans – that lowers uric acid levels in the blood by converting uric acid into allantoin, a benign substance which is then easily excreted in the urine.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05322","Name":"INGN 201","DrugType":"biotech","HalfLife":"","Description":"INGN 201(Advexin) is a replication-impaired adenoviral vector that carries the p53 gene, has been evaluated in both preclinical and clinical trials. Advexin is a well-tolerated and efficacious treatment for numerous cancers, both as monotherapy and in combination with radiation and/or chemotherapy agents.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in bladder cancer, brain cancer, breast cancer, esophageal cancer, head and neck cancer, lung cancer, oral cavity cancer, ovarian cancer, and prostate cancer.","Toxicity":"","MechanismOfAction":"Advexin® is a vaccine that contains very high concentrations of the p53 protein. Advexin® is administered into or near the site of cancer and has demonstrated the ability to make cancer cells more sensitive to the killing effects of chemotherapy. The p53 gene makes protein that is responsible for stopping uncontrolled growth of a cell. One of its roles is to stop growth of a cell and initiate repair of any detected mutations or damage within the DNA of the cell. In addition, the p53 gene will direct the cell to destroy itself if a mutation or damage is detected that is beyond repair.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05324","Name":"HuMax-EGFr","DrugType":"biotech","HalfLife":"","Description":"HuMax-EGFr™ is a fully human, high-affinity antibody targeted at the Epidermal Growth Factor receptor (EGFr) and is in clinical development to treat head and neck cancer. EGFr is a receptor molecule found on the surface of many cancer cells. Activation of EGFr by the appropriate growth factor molecule promotes the growth of tumor cells.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in head and neck cancer and lung cancer.","Toxicity":"","MechanismOfAction":"HuMax-EGFr effectively inhibits the growth of tumor cells that express both mutated or normal EGF receptors. This inhibition occurred through different mechanisms of action including direct inhibition of cancer cell growth and an immune cell-mediated killing activity known as antibody dependent cell-mediated cytotoxicity (ADCC).\r\n \r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05325","Name":"INGN 225","DrugType":"biotech","HalfLife":"","Description":"INGN 225 is a therapeutic consisting of a cancer patient's own immune cells treated with an adenovector carrying the human p53 gene, Ad-p53. INGN 225 is currently in Phase 1/2 trials in patients with small cell lung cancer and breast cancer.\r\n\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in breast cancer, head and neck cancer, and lung cancer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"INGN 225 uses the p53 tumor suppressor in a different manner than ADVEXIN to create a molecular immunotherapy for cancer that stimulates a particular type of immune system cell known as a dendritic cell. Testing has shown that the human immune system can recognize and kill tumors after treatment with dendritic cells stimulated by the p53 tumor suppressor, which suggests this therapy could have broad utility as a treatment for solid tumors. INGN 225 may also sensitize tumors to the effects of platinum and taxane chemotherapies.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05326","Name":"INKP-102","DrugType":"small molecule","HalfLife":"","Description":"INKP-102 is the next generation sodium phosphate tablet designed to aid bowl preparation before colonoscopy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in gastrointestinal diseases and disorders (miscellaneous).","Toxicity":"","MechanismOfAction":"INKP-102 tablets are smaller in size and easier to swallow than the Company's currently marketed sodium phosphate tablet product, Visicol. The new INKP-102 tablets contain no microcrystalline cellulose (MCC), an inert, but highly insoluble, tablet binder.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05327","Name":"AS-3201","DrugType":"small molecule","HalfLife":"","Description":"AS-3201 is a structurally novel and stereospecifically potent aldose reductase (AKR1B; EC 1.1.1.21) inhibitor, which contains a succinimide ring that undergoes ring-opening at physiological pH levels.","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"Investigated for use/treatment in neuropathy (diabetic).","Toxicity":"","MechanismOfAction":"AS-3201 alleviates diabetic neuropathy, a complication of diabetes, by inhibiting aldose reductase and thereby inhibiting the accumulation of intracellular sorbitol that causes diabetic neuropathy. This drug has a stronger inhibitory effect and is longer acting compared to other drugs in this therapeutic area. AS-3201 showed good penetration into the nerve tissue, resulting in dose-dependent inhibition of intraneural accumulation of sorbitol and fructose in a clinical study. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05328","Name":"VGV-1","DrugType":"small molecule","HalfLife":"","Description":"VGV-1 is a potential salvage therapy for treatment of HIV infected people who have failed anti-retroviral therapy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"VGV-1 is appears to work through a mechanism that involves the use of the immune system, rather than attacking the virus itself. VGV-1 also has minimal side effects and is projected to be cost-effective. Because a treatment cycle with VGV-1 consists of just 16 injections, it is substantially less expensive than ART or HAART which require that drugs be taken once a day, or even more frequently. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05329","Name":"MDX-1379","DrugType":"biotech","HalfLife":"","Description":"MDX-1379 vaccine consists of two gp100 melanoma peptides. This drug is underinvestigation to treat malignant melanoma. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in melanoma.","Toxicity":"","MechanismOfAction":"The peptides in MDX-1378 are part of a protein normally found on melanocytes, or pigmented skin cells,and are also present on melanoma cells. These melanoma peptides are recognized by cytotoxic T cells in melanoma patients that are positive for HLA-A2, a human immune system compatibility antigen that is expressed in approximately half of the melanoma population. Medarex has in-licensed the MDX-1379 vaccine peptides from the National Cancer Institute (NCI).\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05330","Name":"ALTU-135","DrugType":"biotech","HalfLife":"","Description":"ALTU-135, the Company's orally administered enzyme replacement therapy for patients with pancreatic insufficiency, is manufactured by blending three drug substance enzymes: lipase, protease and amylase. This consistent and pure enzyme combination is designed to improve fat, protein and carbohydrate absorption in pancreatic insufficient individuals. ALTU-135 has been granted orphan drug and fast-track designation as well as CMA Pilot 2 program status by the Food and Drug Administration (FDA).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cystic fibrosis and pancreatic disorders.","Toxicity":"","MechanismOfAction":"As ALTU-135 consists of three enzymes, lipase, protease and amylase that are delivered in a consistent ratio and is designed to improve fat, protein, and carbohydrate absorption in pancreatic insufficient individuals. ALTU-135 is designed to be highly concentrated, stable and pure and to allow patients to take a single capsule per meal or snack, whereas current products are derived from pig pancreases and require a significantly higher pill burden. This reduced pill burden for ALTU-135 is expected to provide greater convenience for the patient and result in improved compliance and therefore effectiveness. ALTU-135 has been granted Orphan Drug designation in the United States and Europe. ALTU-135 was also granted fast track designation by the U.S. Food and Drug Administration (FDA) in November 2003, and was accepted into the FDA’s Continuous Marketing Application Pilot 2 Program in February 2004.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05331","Name":"doxorubicin TransDrug","DrugType":"small molecule","HalfLife":"","Description":"Doxorubicin Transdrug(R) is an investigational drug to treat hepatocellular carcinoma (HCC), primary liver cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatocellular carcinoma.","Toxicity":"","MechanismOfAction":"Doxorubicin Transdrug® is a PIHCA polymer used in nanoparticular form containing the active cancer drug doxorubicin. This unique and proprietary technology was developed by Professor Patrick Couvreur of the School of Pharmacy at the University of Paris XI (CNRS) and a leading expert in the field of nanoparticles.","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00976"},{"ID":"DB00857"}],"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05332","Name":"Romiplostim","DrugType":"biotech","HalfLife":"Immune thrombocytopenia patients, subQ = 3.5 days (median) (range 1-34 days) ","Description":"Romiplostim is a thrombopoiesis stimulating dimer Fc-peptide fusion protein (peptibody) to increase platelet production through activation of the thrombopoietin receptor. The peptibody molecule has two identical single-chain subunits, each one is made up of 269 amino acid residues. Each subunit consists of an IgG1 Fc carrier domain that is covalently attached to a polypeptide sequence that contains two binding domains to interact with thrombopoietin receptor c-Mpl. Each domain consists of 14 amino acids. Interestingly, romiplostim's amino acid sequence is not similar to that of endogenous thrombopoietin. Romiplostim is produced by recombinant DNA technology in Escherichia coli. FDA approved on August 22, 2008. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Treatment of chronic immune thrombocytopenic purpura. ","Toxicity":"The most common adverse reactions (≥ 5% higher patient incidence in Nplate versus placebo) are arthralgia, dizziness, insomnia, myalgia, pain in extremity, abdominal pain, shoulder pain, dyspepsia, and paresthesia. Headache was the most commonly reported adverse reaction that did not occur at ≥ 5% higher patient incidence in Nplate versus placebo.\r\nLD50 = 980 mg/kg. ","MechanismOfAction":"Romiplostim is a thrombopoietin receptor agonist that activates intracellular transcriptional pathways via c-Mpl to increase production of platelets. It also works similarly to thrombopoietin (TPO), an endogenous glycoprotein hormone that regulates the production of platelets in the bone marrow. ","Pharmacodynamics":"Responses to platelet increase varies between patients thus indicating a need for individualization of dose. However, a dose dependent-increase in platelet counts have been observed in clinical trials. Does not affect platelet destruction. ","Absorption":"Cmax, healthy volunteers, subQ = 24-36 hours;\r\nCmax, immune thrombocytopenia patients, subQ = 7-50 hours (median = 14 hours). \r\nNot affected by age, weight, or gender. Accumulation does not occur after six weekly doses of 3 mcg/kg romiplostim. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB05333","Name":"TC-5231","DrugType":"small molecule","HalfLife":"","Description":"TC-5231 is a small molecule that has been under investigation as an oral treatment for ADHD (Attention Deficit/Hyperactivity Disorder). TC-5231 is mecamylamine hydrochloride, the active ingredient in FDA-approved product, Inversine, but in a lower dose than Inversine. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in attention deficit/hyperactivity disorder (ADHD), neurologic disorders, and tourette's syndrome.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05335","Name":"ketoprofen transdermal patch","DrugType":"small molecule","HalfLife":"","Description":"Ketoprofen transdermal patch antiinflammatory drug containing nonsteroidal antiinflammatory drug which is excellent in the dermal absorption and the skin adhesion, has hardly the skin stimulus. The ketoprofen patch was developed by APR Applied Pharma Research, a Swiss research and development company, with the German R\u0026D company Labtec GmbH. The product has been licensed in Europe to Zambon Group.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in inflammatory disorders (unspecified) and pain (acute or chronic).","Toxicity":"","MechanismOfAction":"The effectiveness of a transdermal patch that delivers pain relief directly to the site of tendon and tissue injuries--bypassing the digestive system and potential gastro-intestinal discomfort--has been confirmed. The ketoprofen patch composition comprised of nonsteroidal antiinflammatory drug, alkylpyrrolidone, hydrophilic polyethyleneglycol and hydrophilic nonionic surfactant was diffused in the water containing base comprised of water soluble polymer material, water soluble vinyl polymer and water insoluble multivalent metallic salt to provide the external patch containing nonsteroidal drug dissolved and diffused in the water containing base in the microemulsion state, which is excellent in the dermal absorption and also good in the skin adhesion, has hardly the skin irritations.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05336","Name":"ETI-204","DrugType":"biotech","HalfLife":"","Description":"ETI-204, an affinity-enhanced monoclonal antibody (Mab), is being developed as a drug for prevention and treatment of infection and death caused by anthrax toxin.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in anthrax exposure, bacterial infection, crohn's disease, and graft versus host disease.","Toxicity":"","MechanismOfAction":"ETI-204 is an affinity-enhanced, de-immunized antibody, which means that its ability to bind to its target pathogen has been strengthened and that elements that might cause an immune response have been removed. ETI-204 targets and binds to Protective Antigen, which prevents the anthrax toxins from binding to and entering the cells in the body, thereby preventing death.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05337","Name":"SOT-107","DrugType":"biotech","HalfLife":"","Description":"SOT-107 is a drug that is a combination of a protein called transferrin and a poison called diphtheria toxin. This drug treat for a type of brain cancer called a high grade glioma brain tumour. About half of all brain tumours are gliomas. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in brain cancer.","Toxicity":"","MechanismOfAction":"Its mechanism of action involves transferrin-mediated delivery of a modified diphtheria toxin that is capable of selectively killing cancer cells. The agent is administered directly into the glioma using convection enhanced delivery to circumvent the blood-brain barrier and achieve high local concentrations of the drug.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05338","Name":"atamestane-plus-toremifene","DrugType":"small molecule","HalfLife":"","Description":"Atamestane plus toremifene slows disease progression as well as letrozole does in postmenopausal women with advanced receptor-positive breast cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05339","Name":"MN-305","DrugType":"small molecule","HalfLife":"","Description":"MN-305 is a novel, potent and highly selective serotonin 5-HT1A receptor agonist under development by MediciNova for the treatment of anxiety disorders beginning with Generalized Anxiety Disorder (GAD).","Classification":{"Description":"This compound belongs to the benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.","DirectParent":"Benzo-1,4-dioxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxanes","SubClass":"Benzo-1,4-dioxanes"},"Indication":"Investigated for use/treatment in anxiety disorders, depression, insomnia, and neurologic disorders.","Toxicity":"","MechanismOfAction":"MN-305 is a potent and highly-selective full agonist at the serotonin 5-HT1A receptor under development by MediciNova both for the treatment of insomnia, as well as for anxiety disorders such as Generalized Anxiety Disorder (GAD). MN-305 has been evaluated in an extensive preclinical toxicology program which showed no evidence of inducing genetic mutations, immune response or cancer. MN-305 has also proved to be consistently well-tolerated in clinical safety, efficacy and pharmacokinetic studies in over 1,200 subjects.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05340","Name":"ATL-2502","DrugType":"small molecule","HalfLife":"","Description":"ATL-2502(Colal-Pred) is an old drug (prednisolone metasulphobenzoate, a steroid) with a new delivery system that releases the medication only in the colon. Releasing the drug directly into the colon reduces the potential for significant side effects often experienced with steroid drugs. Colal-Pred is being studied for use in ulcerative colitis.","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"Investigated for use/treatment in inflammatory bowel disease and ulcerative colitis.","Toxicity":"","MechanismOfAction":"ATL-2502 is the combination of Alizyme's proprietary colonic drug delivery system, colal, and prednisolone metasulfobenzoate sodium (\"PMSBS\"), an approved steroid in Europe. colal-PRED has a starch coating that is only broken down in the gut by bacteria occurring in the colon. This leads to topical delivery of PMSBS to the colon rather than systemic delivery with the objective of providing efficacy, but without the side effects of steroids; however, the efficacy and safety of colal-PRED must be shown in well-controlled, prospective clinical trials and approved by the FDA.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05341","Name":"C1-INH","DrugType":"biotech","HalfLife":"","Description":"C1-INH is human pasteurized C1-inhibitor concentrate to treat patients with hereditary angioedema (HAE), a rare genetic disorder that can lead to painful and sometimes life-threatening attacks of edema (swelling) of the face, airway, abdomen, and extremities.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in angioedema.","Toxicity":"","MechanismOfAction":"The C1-esterase inhibitor (C1-INH) is a regulatory protein that functions as an inhibitor of several serine proteases in the complement system, the kallikrein-kinin the coagulation cascade and in fibrinolysis.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05342","Name":"SP-01A","DrugType":"small molecule","HalfLife":"","Description":"SP-01A is an antiviral adjuvant indicated in the treatment of HIV-infected individuals. In Phase II clinical trials, SP-01A proved itself to be highly effective in significantly reducing viral load and improving quality of life without compromising the health or safety of HIV-infected patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"SP-01A is an HIV oral entry inhibitor drug. In order for viruses to reproduce, they must infect or hi-jack a cell, and use it to make new viruses. Just as your body is constantly making new skin cells, or new blood cells, each cell often makes new proteins in order to stay alive and to reproduce itself. Viruses hide their own DNA in the DNA of the cell, and then, when the cell tries to make new proteins, it accidentally makes new viruses as well. HIV mostly infects cells in the immune system.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05343","Name":"ONO-2506","DrugType":"small molecule","HalfLife":"","Description":"ONO-2506 is an enantiomeric, three carbon atom homolog of valproic acid under development by ONO Pharmaceutical for the potential treatment of stroke, as well as Alzheimer's and Parkinson's disease.","Classification":{"Description":"This compound belongs to the branched fatty acids. These are fatty acids containing a branched chain.","DirectParent":"Branched Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Branched Fatty Acids"},"Indication":"Investigated for use/treatment in cerebral ischemia.","Toxicity":"","MechanismOfAction":"ONO-256 is a neuroprotective because of its actions on glia cells. It has inhibitory effects on the synthesis of a calcium-binding protein S100B. ONO-2506 is undergoing clinical trials for the treatment of patients with stroke and Alzheimer's disease.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05344","Name":"NT-501","DrugType":"small molecule","HalfLife":"","Description":"NT-501 is Neurotech's lead product which is in two Phase II/III clinical trials for the treatment of visual loss associated with retinitis pigmentosa and a Phase II trial for the treatment of the dry form of age-related macular degeneration. Neurotech is also evaluating other factors that can be used with its proprietary delivery technology, Encapsulated Cell Technology (ECT), to treat additional retinal diseases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in eye disorders/infections, macular degeneration, and retinal disorders (unspecified).","Toxicity":"","MechanismOfAction":"NT-501 is an intraocular, cell containing polymer implant designed to provide the continuous, long-term release of the therapeutic protein, Ciliary Neurotrophic Factor (CNTF), directly into the back of the eye by means of the Company's proprietary Encapsulated Cell Technology (ECT).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05345","Name":"SO-101","DrugType":"small molecule","HalfLife":"","Description":"SO-101(Silenor) is a low-dose oral tablet formulation of doxepin hydrochloride that is patent protected for its use in insomnia. Doxepin has been prescribed for more than 40 years for the treatment of depression and anxiety at dosages typically ranging from 75 mg to 300 mg per day. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in insomnia.","Toxicity":"","MechanismOfAction":"The mechanism of action for the sleep-promoting effects of is not definitively known, it differs from the currently available sleep-promoting agents in that the effects are mediated through the histaminergic system. The active ingredient in SO-101, doxepin HCl, is known to be a highly potent histamine antagonist. Histamine blocking has been demonstrated to reduce wakefulness and is thought to promote the initiation and maintenance of sleep.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05346","Name":"WL-1002","DrugType":"small molecule","HalfLife":"","Description":"WL-1002 is developed by Winston Laboratories which is a topical cream formulation of 075% zucapaicin (also known as civamide), for the treatment of pain due to osteoarthritis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in osteoarthritis and pain (acute or chronic).","Toxicity":"","MechanismOfAction":"An active ingredients in WL-1002 is civamide which has anticeptic property.The antinociception of civamide is probably mediated two mechanisms: (i) an acute receptor occupancy dependent effect; and (ii) a persistent and receptor independent effect which is initiated by the acute exposure to the drug.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05347","Name":"iontophoretic acyclovir","DrugType":"small molecule","HalfLife":"","Description":"Acyclovir which has chemical name as acycloguanosine, is a guanine analogue antiviral drug, marketed under trade names such as Zovirax and Zovir (GSK). One of the most commonly-used antiviral drugs, it is primarily used for the treatment of herpes simplex virus infections, as well as in the treatment of herpes zoster (shingles).","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"Investigated for use/treatment in herpes labialis infections (cold sores) and herpes simplex infections.","Toxicity":"","MechanismOfAction":"The nominal efficacy of the topical formulation, acyclovir for the treatment of herpes labialis is due to inadequate penetration of the drug into the target site of infection, basal epidermis. To resolve this problem, a low-voltage, wireless, hand-held, computer-controlled, iontophoretic applicator has been developed to enhance the skin penetration of topical acyclovir. Aciclovir can be considered a prodrug: it is administered in an inactive (or less active form) and is metabolised into a more active species after administration.\r\n\r\nAcylovir differs from previous nucleoside analogues in that it contains only a partial nucleoside structure: the sugar ring is replaced by an open-chain structure. It is selectively converted into acyclo-guanosine monophosphate (acyclo-GMP) by viral thymidine kinase, which is far more effective (3000 times) in phosphorylation than cellular thymidine kinase. Subsequently, the monophosphate form is further phosphorylated into the active triphosphate form, acyclo-guanosine triphosphate (acyclo-GTP), by cellular kinases. Acyclo-GTP is a very potent inhibitor of viral DNA polymerase; it has approximately 100 times greater affinity for viral than cellular polymerase. As a substrate, acyclo-GMP is incorporated into viral DNA, resulting in chain termination. It has also been shown that viral enzymes cannot remove acyclo-GMP from the chain, which results in inhibition of further activity of DNA polymerase. Acyclo-GTP is fairly rapidly metabolised within the cell, possibly by cellular phosphatases.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05348","Name":"autologous fibroblast transplant","DrugType":"biotech","HalfLife":"","Description":"Autologous fibroblast transplant is an innovative cellular processing system which creates a natural, living cell therapy. By multiplying a patient’s own collagen-producing cells or fibroblasts into tens of millions of new cells, a personalized treatment is created which is then returned to the patient’s skin. This treatment, known as the Isolagen Therapy™, is designed to improve skin damage caused by the normal effects of aging, sun damage, acne and burns.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in skin infections/disorders.","Toxicity":"","MechanismOfAction":"Autologous fibroblast transplant is the process whereby a patient's own cells are extracted, allowed to multiply and then injected into the patient. Isolagen's product candidates are designed to be minimally invasive and nonsurgical.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05349","Name":"autologousadipose stem cell therapy","DrugType":"biotech","HalfLife":"","Description":"Cellerix has developed an autologous adipose stem cell therapy for the treatment of fistulas. This drug has shown safety and preliminary efficacy in phase I studies. However autologous adipose stem cell therapy autologous is also a promising therapeutic approach to overcome the current disadvantages of corneal transplantation.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in wounds.","Toxicity":"","MechanismOfAction":"Adipose, also known as fat tissue, is the richest and most accessible known source of stem cells. It contains a specialized class of stem cells comprised of multiple cell types that promote healing and repair. Adipose stem cells have been shown to differentiate into multiple cell types including muscle cells (heart, smooth and skeletal), bone, fat, cartilage, and nerve. Patients receive their own cells (autologous-use) so there is no risk of immune rejection or transmission. Beyond differentiation, regenerative cells may provide therapeutic benefit through the release of growth factors and other therapeutic healing mechanisms. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05350","Name":"AP-1034","DrugType":"small molecule","HalfLife":"","Description":"AP-1034 utilizes Antares Pharma's proprietary advanced transdermal delivery (ATD(TM)) gel technology designed to allow delivery of active substances across the skin. The oxybutynin formulation is a cosmetic quality, clear and odorless gel designed to be rapidly absorbed through the skin following once-a-day application on the abdomen, shoulders or thighs.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in urinary incontinence.","Toxicity":"","MechanismOfAction":"Anturol is a gel formulation of oxybutynin designed for optimized absorption through the skin following once-a-day application on the abdomen, shoulders, or thighs. Oxybutynin is considered the gold standard for OAB treatment, and is currently available only in oral dose and adhesive patch formulations. Oxybutynin exerts a direct antispasmodic effect on smooth muscle and inhibits the muscarinic action of acetylcholine on smooth muscle. No blocking effects occur at skeletal neuromuscular junctions or autonomic ganglia (antinicotinic effects).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05351","Name":"TAK-390MR","DrugType":"small molecule","HalfLife":"","Description":"TAK-390MR is an investigational for the treatment of acid related disorders.. TAK-390MR employs a new modified release (MR) technology on an enantiomer of lansoprazole.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in duodenal ulcers, gastric ulcers, gastroesophageal reflux disease (GERD), and gastrointestinal diseases and disorders (miscellaneous).","Toxicity":"","MechanismOfAction":"Lansoprazole has an asymmetric sulfur in its chemical structure and is commercially marketed as a racemic mixture. Both the (R)- and (S)-enantiomers of lansoprazole inhibit acid formation in isolated canine parietal cells and (H'+'/K'+')-ATPase in canine gastric microsomes with nearly the same potency. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05352","Name":"Fx-1006A","DrugType":"small molecule","HalfLife":"","Description":"Fx-1006A is a small molecule compound with the potential to treat genetic disorders, such as familial amyloid cardiomyopathy (FAC) and familial amyloid polyneuropathy (FAP).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in amyloidosis.","Toxicity":"","MechanismOfAction":"Fx-1006A is a first-in-class, disease-modifying compound that is designed to inhibit the formation of amyloid deposits by preventing the misfolding and deposition of the transthyretin protein (TTR), which is associated with amyloidosis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05353","Name":"CMC 001","DrugType":"small molecule","HalfLife":"","Description":"CMC 001 is an orally administered MRI contrast agent in development for enhancement of the liver, bile ducts and gastrointestinal tract. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in liver cancer.","Toxicity":"","MechanismOfAction":"CMC 001 is used to screen liver tumors/metastases, imaging of the biliary tract and it could be suitable for liver function studies by following the metabolism and excretion of manganese in the liver cells. Several advantages like better images, higher safety, lower costs and less inconvenience for the patient can be expected.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05354","Name":"intranasal morphine","DrugType":"small molecule","HalfLife":"","Description":"Rylomine (intranasal morphine), is currently in Phase 3 development in the United States, for moderate-to-severe pain in supervised healthcare settings. It employs the patented and proprietary, Chysis(R) drug-delivery platform to adhere and regularize the kinet","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"Parenteral morphine is the standard of care for management of acute moderate-to-severe pain, especially after surgery, when analgesic requirements vary between individuals and often fluctuate even in the same patient. IV morphine analgesia has rapid onset, proven efficacy, can accommodate variations in analgesic demand, and has side effects that are well understood by medical personnel. Morphine, like many drugs, is poorly absorbed across mucosal barriers and, in particular, the nasal membrane. Javelin's proprietary technology allows for nasal delivery of predictable therapeutic blood levels of morphine. The key to this technology is ChiSys(TM), a carbohydrate polymer that, while pharmaceutically inert by itself, enhances the absorption of compounds across mucosal membranes, such as in the nasal cavity. The contribution of ChiSys(TM) to enhancing mucosal drug absorption reflects several factors including its potent mucoadhesive property, which prevents drug washout. Rylomine is a novel formulation of morphine and ChiSys(TM) packaged in a single unit-dose nasal spray. Worldwide, no comparable formulation of morphine is available.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05356","Name":"EUR-1008","DrugType":"small molecule","HalfLife":"","Description":"EUR-1008 (Zentase) is a new, zero-overfill, highly-stable, porcine-derived, pancreatic enzyme replacement product (PEP) for the treatment of Exocrine Pancreatic Insufficiency (EPI). EPI results from various diseases such as cystic fibrosis (CF), chronic pancreatitis, pancreatic cancer, cytomegalovirus infection and HIV/AIDS. EPI can also result from surgical procedures, including open gastric bypass, extensive small bowel resection and pancreatectomy. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cystic fibrosis, diet and nutrition, pancreatic disorders, and pediatric indications.","Toxicity":"","MechanismOfAction":"EUR-1008 is a new orally delivered pancreatic enzyme product consisting of approximately 14 enzymes, coenzymes and cofactors. It is biologically similar to endogenous human pancreatic secretions and is intended to treat malabsorption of fats, proteins, carbohydrates and other essential nutrients in patients with pancreatic insufficiency. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05357","Name":"grass pollen extract","DrugType":"biotech","HalfLife":"","Description":"Grass pollen extract is a novel vaccine for treatment of seasonal allergic reactions from grass, tree or ragweed pollen allergy. Its formualation combines chemically modified allergens adsorbed onto a L-tyrosine with addition of the immunostimulatory adjuvant monophosphoryl lipid A (MPL), to improve efficacy.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in allergic reaction.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05358","Name":"TAK-491","DrugType":"small molecule","HalfLife":"","Description":"TAK-491 is an investigational compound developed by Japanese pharmaceutical company, Takeda for the treatment of hypertension. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hypertension.","Toxicity":"","MechanismOfAction":"TAK-491 is an angiotensin receptor blocker (ARB) used in the treatment of high blood pressure. It works by inhibiting a vasopressor hormone known as angiotensin II. This drug shows a stronger blood pressure lowering action than other ARBs on the market. TAK-491 also improves insulin resistance and reduces proteinuria (the passing of serum proteins in urine).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05359","Name":"VEC-162","DrugType":"small molecule","HalfLife":"","Description":"VEC-162 is a melatonin agonist under development for the treatment of sleep disorders (insomnia, circadian rhythm sleep disorders) and mood disorders (including depression). Vanda licensed VEC-162 from Bristol-Myers Squibb Company in 2004. Vanda has completed phase II for VEC-162 in insomnia and has initiated a phase III trial. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in insomnia and sleep disorders.","Toxicity":"","MechanismOfAction":"VEC-162 is a balanced melatonin (MT1/MT2) receptor agonist developed by Vanda Pharmaceuticals Inc. It has demonstrated improvements in objective and subjective measures of sleep onset and maintenance in a Phase III trial of transient insomnia.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05360","Name":"KW-3902","DrugType":"small molecule","HalfLife":"","Description":"KW-3902 is a compounds that is under clinical development by pharmaceutical company, NovaCardia. It is used for the treatment of congestive heart failure.","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"Investigated for use/treatment in congestive heart failure and kidney disease.","Toxicity":"","MechanismOfAction":"KW-3902 (rolofylline),is an adenosine A1-receptor antagonist, on diuresis and renal function compared with placebo in patients with acute decompensated heart failure (ADHF). Plasma adenosine levels are elevated in patients with heart failure and adenosine A1 receptors in the kidney mediate vasoconstriction of afferent arterioles, reabsorption of sodium and water in proximal tubules, and tubuloglomerular feedback in the juxtaglomerular apparatus. Accordingly, inhibition of these receptors would be expected to increase renal blood flow and enhance diuresis. The effects of KW-3902 on renal function are consistent with those obtained with another adenosine A1-receptor antagonist in both experimental and human heart failure.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05361","Name":"SR-123781A","DrugType":"small molecule","HalfLife":"","Description":"SR-123781A is a synthetic hexadecasaccharide Factor IIa and Xa antagonist. It is under investigation by Sanofi-Aventis and Organon for the treatment of thrombosis and acute coronary syndromes (ACS).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders, thrombosis, and venous thromboembolism.","Toxicity":"","MechanismOfAction":"SR123781A is a synthetic hexadecasaccharide comprising an antithrombin (AT) binding domain, a thrombin binding domain, and a neutral methylated hexasaccharide sequence, was obtained from glucose through a convergent synthesis. SR123781A showed high affinity for human AT and was a potent catalyst of its inhibitory effect with regard to factor Xa and thrombin. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05362","Name":"SSR-126517E","DrugType":"small molecule","HalfLife":"","Description":"SSR-126517E is a second generation synthetic pentasaccharide that binds antithrombin with such high affinity that it assumes a plasma half-life of 80 hours. \r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in thrombosis and venous thromboembolism.","Toxicity":"","MechanismOfAction":"SSR126517E is a biotinylated form of idraparinux. It can be neutralized with intravenous recombinant avidin. Avidin binds biotinylated fondaparinux with high affinity, and the complex is then rapidly cleared.\r\n\r\nSSR126517E also has an advantage over idraparinux\r\nin that an antidote is available when rapid reversal is\r\nrequired. None of the new agents has a specific antidote except SSR126517E. The lack of an antidote in other anticoagulants agents has been a major cause for the development of SSR126517E.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05363","Name":"LIC-477","DrugType":"small molecule","HalfLife":"","Description":"LIC-477is indicated to be suitable for the treatment of psychosomatic disturbances, epilepsy, trigeminal neuralgia and cerebral spasticity. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bipolar disorders.","Toxicity":"","MechanismOfAction":"The mechanisms by which the compounds of the invention exert their anticonvulsant effects are not completely understood, but their activity may be partly due to effects on ion flow across neuronal membranes.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05364","Name":"ROX-888","DrugType":"small molecule","HalfLife":"","Description":"ROX-888 is ROXRO's lead compound which is currently in Phase 3 trials for the treatment of acute pain, including post-operative pain. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"ROX-888 is a intranasal formulation of the broadly used injectible analgesic, ketorolac. It has ability to provide effective analgesia in acute medical conditions resulting in moderate-severe pain, without the disabling side effects of opioid analgesics","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05365","Name":"BF-200 ALA","DrugType":"small molecule","HalfLife":"","Description":"BF-200 ALA is under investigation by Biofrontera which shows positive results from its Phase IIb/III trial. According to Biofrontera, BF-200 ALA was strongly and significantly superior to placebo in the treatment of actinic keratosis. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in actinic keratosis.","Toxicity":"","MechanismOfAction":"BF-200 ALA is a gel that combines the active substance 5-aminolevulinic acid (ALA) with the nanoemulsion BF-200. It is strongly and significantly superior to placebo in the treatment of actinic keratosis. BF-200 ALA is used in photodynamic therapy, which eliminates tumor tissue through a combination of an active substance and the irradiation with red light.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05366","Name":"CDB-2914","DrugType":"small molecule","HalfLife":"","Description":"CDB-2914 is a progesterone receptor modulator which is under investigation by HRA Pahrma for the use as an emergency contraceptive.\r\n\r\n","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"Investigated for use/treatment in contraception.","Toxicity":"","MechanismOfAction":"CDB-2914 is a member of a class of drugs known as progesterone receptor modulators, which also bind to the progesterone receptor, preventing progesterone from binding with it. When the female hormone progesterone cannot bind to the receptor, the genes with which it interacts remain inactive. It plays a role in the growth of fibroids. Progesterone exerts its influence by binding with molecules, known as progesterone receptors, in cells. When progesterone binds with the progesterone receptor, it activates the receptor. The activated receptor determines when specific genes will turn on. When a gene turns on, it produces the proteins that tell the cell what to do","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05367","Name":"Actelion-1","DrugType":"small molecule","HalfLife":"","Description":"Actelion-1 is a tissue-targeting Endothelin Receptor Antagonist that has been discovered by Actelion Pharmaceuticals.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders, hypertension, and pulmonary hypertension.","Toxicity":"","MechanismOfAction":"Through complete blockade of tissular endothelin, Actelion-1 is expected to protect tissue from the damaging effect of elevated endothelin, specifically in the cardiovascular system. In pre-clinical studies, Actelion-1 also exhibited effects suggesting that it maintains the integrity of the vascular wall and improves long-term outcome. Accordingly, Actelion-1 may provide therapeutic benefit in a wide range of cardiovascular indications.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05368","Name":"Ragweed pollen extract","DrugType":"biotech","HalfLife":"","Description":"Ragweed pollen extract has been developed by Curalogic. The company has initiated a phase III trial with its product for oral immunotherapy of ragweed allergy. While traditional disease-modifying immunotherapeutics are administered by subcutaneous injection, Curalogic has developed a more convenient orally administered drug. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in allergic reaction.","Toxicity":"","MechanismOfAction":"Ragweed pollen extract is the oral immunotherapy delivered via microencapsulated beads put into a capsule, which \"enables the antigen to be delivered more efficiently to the Peyer's patches in the jejunum and duodenum, where the antigen can be presented and processed and not destroyed by stomach acid.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05369","Name":"HZT-501","DrugType":"small molecule","HalfLife":"","Description":"HZT-501 is under investigation by Horizon Therapeutics, Inc., a privately held biopharmaceutical company. It has entered Phase 3 clinical trials in March 2007 for reduction of the risk of development of ibuprofen-associated upper gastrointestinal (i.e., gastric and/or duodenal) ulcers. HZT-501 is a combination product including ibuprofen and the acid reducing agent famotidine.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"HZT-501 is a proprietary formulation of ibuprofen, the most prescribed NSAID in the United States, combined with famotidine, the most potent H2 receptor antagonist, in a single pill. HZT-501 is specifically designed to provide pain relief while reducing stomach acidity during the peak time of risk for gastric ulceration.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05370","Name":"NOVA-22007","DrugType":"small molecule","HalfLife":"","Description":"Nova22007 is an investigational drug developed by Novagali for the treatment of dry eye and vernal keratoconjunctivitis (VKC). It is a Cyclosporine A ophthalmic product intended to be used to treat patients suffering from moderate-to-severe Dry Eye Syndrome.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in allergic reaction and eye disorders/infections.","Toxicity":"","MechanismOfAction":"Nova22007 is a proprietary cationic emulsion enabling an optimal penetration of Cyclosporine A in tissues of the eye surface that benefit from Novasorb cationic emulsion technology features.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05371","Name":"ACR-16","DrugType":"small molecule","HalfLife":"","Description":"ACR-16 is under investigation by NeuroSearch. ACR16 has been successfully investigated in a Phase II multi-centre, randomised and placebo-controlled trial in patients with Huntington’s disease as well as in three Phase Ib studies within Huntington’s disease, Parkinson’s disease and schizophrenia respectively. ACR-16 is a dopamine stabilizer. ACR-16 is also being studied in other psychiatric and neurologic diseases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in huntington's disease and schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"ACR16 belongs to a novel class of drugs, characterised as dopaminergic stabilisers, CNS active compounds that can both enhance and counteract dopaminergic effects in the brain depending on the initial level of dopaminergic activity. ARC16 works to \"smooth\" the many functions of this neurotransmitter chemical in striatum and other areas of the brain. Thus they have the ability to stabilize behavioural and motor disturbances caused by neurological and psychiatric disorders. They do this in pathological states without compromising normal thought processes or motor functions. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05372","Name":"CP-945598","DrugType":"small molecule","HalfLife":"","Description":"CP-945598 is an investigational drug which is a Cannabinoid-1 (CB-1) receptor antagonist being developed for the treatment of obesity.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in obesity.","Toxicity":"","MechanismOfAction":"Pre-clinical and clinical trial data suggest that CB-1 antagonists may have favorable effects on glucose metabolism in patients with type 2 diabetes and may also be an effective therapy for the treatment of obesity.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05374","Name":"CDX-110","DrugType":"small molecule","HalfLife":"","Description":"CDX-110 is developed by Celldex Therapeutics for the treatment of EGFRvIII expressing Glioblastoma Multiforme (GBM). GBM is the most common and aggressive form of brain cancer. CDX-110 is an immunotherapy that targets the tumor-specific growth promoter EGFRvIII. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in brain cancer.","Toxicity":"","MechanismOfAction":"CDX-110 is an investigational immunotherapy that targets the tumor specific molecule EGFRvIII, a functional variant of the epidermal growth factor receptor (EGFR), which is a protein that has been well validated as a target for cancer therapy. This particular variant, EGFRvIII occurs in about 40 percent of Glioblastoma Multiforme (GBM) patients. It was discovered in a collaborative effort between Dr. Bert Vogelstein and Dr Albert Wong at Johns Hopkins University and Dr. Darell Bigner at Duke University. Unlike EGFR, EGFRvIII is not present in normal tissues, suggesting this target will enable the development of a tumor-specific therapy for cancer patients. Furthermore, EGFRvIII is a transforming oncogene that can directly contribute to cancer cell growth. While originally discovered in GBM, the most common and aggressive form of brain cancer, the expression of EGFRvIII has also been observed in various other cancers such as breast, ovarian, metastatic prostate, colorectal, and head \u0026 neck cancers. Celldex has exclusive rights to EGFRvIII vaccines and is pursuing the development of CDX-110 for GBM therapy, as well as in other cancers through additional clinical studies.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05376","Name":"MAX-002","DrugType":"small molecule","HalfLife":"","Description":"MAX-002 is developed by Axcan, consisits of, 1-gram mesalamine suppository for the treatment of ulcerative proctitis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in inflammatory bowel disease.","Toxicity":"","MechanismOfAction":"MAX-002 is improved formulation of the CANASA 1 gram suppository which provides several key advantages, including size, as it is 25% smaller than the current formulation. it improves patients' compliance and quality of life, as patients should find MAX-002 more comfortable than CANASA. Consequently, MAX-002 should have a positive impact on treatment compliance, while providing the safety and efficacy patients expect from this product.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05377","Name":"K101","DrugType":"small molecule","HalfLife":"","Description":"K101 is developed by Moberg Derma for the treatment of onychomycosis (nail fungus) as the primary indication. ","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"Investigated for use/treatment in fungal infections.","Toxicity":"","MechanismOfAction":"K101 is a topical solution applied once-daily on affected nails during treatment periods of 3-6 months. In pilot studies, K101 has shown promising results and provides important benefits compared to existing treatment alternatives. There is a significant need for more efficacious topical treatments. For more severe cases of the disease where more than 50% of the nail is affected, the only available options are oral anti-fungals which are associated with a certain risk for severe side effects.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05378","Name":"CB-01-11","DrugType":"biotech","HalfLife":"","Description":"CB-01-11, is a broad spectrum, semi-synthetic antibiotic. It is developed through the application of Cosmo’s MMX technology to rifamycin, an antibiotic used to treat traveller’s diarrhoea. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in diarrhoea and infectious and parasitic disease (unspecified).","Toxicity":"","MechanismOfAction":"CB-01-11 comes in tablets formulated with Cosmo's MMX technology. Tablets are coated with pH resistant acrylic copolymers which delay the release of the active ingredient until the tablet reaches the indicated intestinal location where the controlled dissolution begins.\r\nThrough the use of the MMX technology, the antibiotic is delivered straight to the colon, which means that bacteria in the gastrointestinal tract (important in vitamin synthesis) are not sterilized. The fact that CB-01-11 is not absorbed when taken in tablet form also means that the product could be used in treatment of long-term infections of the colon.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05379","Name":"APL-202","DrugType":"small molecule","HalfLife":"","Description":"APL-202 is currently licensed in the UK for the treatment of peptic ulcers but has also been widely used off label in obstetrics including cervical ripening and induction of labour. ","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"Investigated for use/treatment in labor and delivery.","Toxicity":"","MechanismOfAction":"Prostaglandins are naturally occurring fatty acids produced by many tissues in the body. Prostaglandin E1 causes myometrial contractions by interacting with specific receptors on myometrial cells. This interaction results in a cascade of events, including a change in calcium concentration, thereby initiating muscle contraction. Misoprostol is an analog of prostaglandin E1. By interacting with prostaglandin receptors, misoprostol causes the cervix to soften and the uterus to contract, resulting in the expulsion of the uterine contents. Misoprostol is relatively metabolically resistant, and thus has prolonged action.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05380","Name":"Skeletal targeted radiotherapy","DrugType":"small molecule","HalfLife":"","Description":"Skeletal Targeted Radiotherapy (STR™) is designed to be used in combination with high-dose chemotherapy producing a direct therapeutic effect on the tumor sites in the bone plus a general bone-marrow effect to destroy myeloma cells in the bone marrow. It is an experimental therapy that is being developed by NeoRx Corporation.The scientific name of the drug is 166Ho-DOTMP.\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in multiple myeloma.","Toxicity":"","MechanismOfAction":"There are two important components of 166Ho-DOTMP. The first is DOTMP, a chemical that collects in bones. The other component of 166Ho-DOTMP is radioactive holmium, abbreviated 166Ho. 166Ho is a radioactive particle that is bound to the DOTMP. Certain types of cells in the body, such as many cancer cells, are sensitive to radioactivity and can be killed if they are close to a radioactive particle such as 166Ho. These properties make 166Ho-DOTMP a potentially useful drug for the treatment of cancers in the bone. When the drug collects in the bone, it will expose cells there to 166Ho, killing cancer cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05381","Name":"histamine dihydrochloride","DrugType":"small molecule","HalfLife":"","Description":"A depressor amine derived by enzymatic decarboxylation of histidine. It is a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and also a centrally acting neurotransmitter.","Classification":{"Description":"This compound belongs to the imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.","DirectParent":"Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"Investigated for use/treatment in hepatitis (viral, C), leukemia (myeloid), melanoma, and renal cell carcinoma.","Toxicity":"","MechanismOfAction":"Histamine dihydrochloride(Ceplene) is developed to maintain the integrity of pivotal immune cells, in particular T cells and natural killer (NK) cells, in patients with cancer. Ceplene treatment aims at facilitating immune-mediated destruction of cancer cells, including leukemic cells, and also at improving the efficiency of T and NK cell-activating agents such as IL-2. Research regarding histamine, the active agent underlying Ceplene, and related clinical results has been the subject of more than 80 presentations at major scientific and clinical meetings, and has been published in more than 300 scientific and clinical articles.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05382","Name":"molecular iodine","DrugType":"small molecule","HalfLife":"","Description":"Molecualar iodine has been developed by Symbollon Pharmaceuticals. It is a potential treatment for moderate to severe cyclic pain and tenderness (clinical mastalgia) associated with fibrocystic breast disease (FBD). ","Classification":{"Description":"This compound belongs to the homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.","DirectParent":"Homogeneous Halogens","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Homogeneous Halogens","SubClass":""},"Indication":"Investigated for use/treatment in breast disorders (unspecified) and pain (acute or chronic).","Toxicity":"","MechanismOfAction":"Molecular iodine is known to inhibit the induction and promotion of N-methyl-n-nitrosourea-induced mammary carcinogenesis, to regress 7,12-dimethylbenz(a)anthracene-induced breast tumors in rats.It has also been shown to have beneficial effects in fibrocystic human breast disease.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05383","Name":"pimagedine HCl","DrugType":"small molecule","HalfLife":"","Description":"It has been developed by Synvista Therapeutics, Inc for the treatment of diabetic kidney disease.Pimagedine HCl is an advanced glycation end products inhibitor which manages diabetic nephropathy, either alone or in combination with other therapies. It is beneficial in treating patients with diabetic nephropathy.","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"Investigated for use/treatment in diabetic kidney disease.","Toxicity":"","MechanismOfAction":"Pimagedine reportedly inhibits the formation of glycosylated proteins (advanced glycosylation end-products) and has other actions including inhibition of aldose reductase.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05384","Name":"polyacrylic acid","DrugType":"small molecule","HalfLife":"","Description":"Polyacrylic acid is developed by ReProtect. It is a gel that may help both block the spread of sexually transmitted diseases and reduce unwanted pregnancies. The compound, known as BufferGel, is currently in advanced clinical trials for its ability to prevent pregnancy. ","Classification":{"Description":"This compound belongs to the enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.","DirectParent":"Enones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"Investigated for use/treatment in contraception and HIV prevention.","Toxicity":"","MechanismOfAction":"BufferGel is a microbicidal spermicide that provides sufficient buffering activity to maintain the mild, protective acidity of the vagina in the presence of semen. Sperm are acid-sensitive, so to assure fertility, semen provides a powerful alkalinizing action that abolishes the protective acidity of the vagina for several hours after intercourse. This alkalinizing action of semen also enables acid-sensitive sexually transmitted diseases (STD) pathogens to transmit infection. By blocking this action of semen, BufferGel prevents unwanted pregnancy, and shows promise for prevention of STDs, including HIV/AIDS.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05385","Name":"PRO 2000","DrugType":"small molecule","HalfLife":"","Description":"PRO 2000 is an investigational medicine that is not yet approved by the FDA for use outside of clinical trials. It is being studied for the prevention of HIV infection and other sexually transmitted diseases. This medicine does not cure HIV infection or AIDS and is being studied to reduce the risk of passing the virus to other people.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in HIV prevention, prevention of stdis, and vaginal infection.","Toxicity":"","MechanismOfAction":"PRO 2000, also known as PRO 2000/5, is a type of medicine called a microbicide. Microbicides are substances that protect the body from infection by microorganisms such as bacteria, viruses, and fungi. Microbicides work by either destroying the microbes or preventing them from establishing an infection.\r\n\r\nPRO 2000 is a candidate topical microbicide for the prevention of sexually transmitted infections including infection by the Human Immunodeficiency Virus (HIV), the cause of Acquired Immunodeficiency Syndrome (AIDS). The compound is believed to block the entry of sexually transmitted disease (STD) pathogens into human cells. In addition to its demonstrated activity against HIV infection in laboratory tests and animal models, PRO 2000 has been shown to be active against other STD pathogens such as herpes, chlamydia, and the bacterium that causes gonorrhea. Designed to be applied vaginally prior to sexual intercourse, PRO 2000 promises to offer a discreet \"safer sex\" option that can be controlled by women.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05386","Name":"recombinant human GM-CSF","DrugType":"biotech","HalfLife":"","Description":"Human GM-CSF (Granulocyte/Monocyte-Colony Stimulating Factor) is a differentially glycosylated factor produced mainly by activated T cells and macrophages. Endothelial cells and fibroblasts can also produce GM-CSF after exposure to TNF-α, IL-1, IL-2 and IFN-γ. GM-CSF is found associated with extracellular matrix and in membrane-bound formats too. GM-CSF stimulates proliferation, activation and differentiation of macrophages and granulocytes and their progenitors.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy) and bone marrow transplant.","Toxicity":"","MechanismOfAction":"This drug activates mononuclear phagocytes, promotes migration of epithelial cells, and further regulates cytokine production. In 2 recent placebo-controlled studies involving venous leg ulceration, subcutaneous perilesional injections of recombinant human granulocyte-macrophage colony-stimulating factor were found to be significantly better than placebo in the time to complete wound healing. In other studies, recombinant human granulocyte-macrophage colony-stimulating factor was administered topically to wounds. Several case reports have also demonstrated the use of recombinant human granulocyte-macrophage colony-stimulating factor for postsurgical wounds, chronic leg ulcers of sickle cell anemia patients, and refract and refractory pyoderma gangrenosum. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05387","Name":"AE-941","DrugType":"small molecule","HalfLife":"","Description":"AE-941 is a naturally occurring anti-angiogenic compound, extracted from cartilage, with multiple anti-angiogenic mechanisms of action that provide broad therapeutic potential for a number of diseases. It is currently in international Phase III trials for renal cell carcinoma and non-small-cell lung cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in kidney cancer, lung cancer, macular degeneration, multiple myeloma, prostate cancer, and psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"AE-941(Neovastat) contains a component that specifically prevents the binding of VEGF (Vascular Endothelial Growth Factor) to its receptors. It inhibits gelatinolytic and elastinolytic activities for MMP-2, MMP-9, and MMP-12. The MMP's are often over expressed in tumors and play an important role in the degradation of the matrix that surrounds the cell (extracellular matrix), which allows tumor growth and invasion (metastasis). It also induces apoptosis (programmed cell death) which is an additional Anti angiogenic activity found in Neovastat.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05389","Name":"WF10","DrugType":"small molecule","HalfLife":"","Description":"WF10 is a chlorite-based, immunomodulating drug is developed by Nuvo Research Inc. Certain preclinical evidence and clinical pilot data suggest that WF10 may be effective in treating certain cancers. The Corporation believes the research to-date demonstrates that WF10 acts on macrophages (a type of white blood cell) by modulating the balance between inflammation and phagocytosis, a state in which the body digests foreign, potentially harmful substances. The Corporation has commenced a Phase II clinical trial in an effort to demonstrate the efficacy of WF10 in combination with Xeloda (capecitabine) in the treatment of pancreatic cancer. The trial is being conducted in Germany at the University of Heidelberg and the National Centre for Tumor Diseases.","Classification":{"Description":"This compound belongs to the non-metal chlorites. These are inorganic non-metallic compoundscontaining a chlorite as its largest oxoanion.","DirectParent":"Non-metal Chlorites","Kingdom":"Inorganic Compounds","SuperClass":"Homogeneous Non-metal Compounds","Class":"Non-metal Oxoanionic Compounds","SubClass":"Non-metal Chlorites"},"Indication":"Investigated for use/treatment in acquired immune deficiency syndrome (AIDS) and aids-related infections, cancer/tumors (unspecified), HIV infection, and inflammatory disorders (unspecified).","Toxicity":"","MechanismOfAction":"WF 10 is a 1: 10 dilution of tetrachlorodecaoxide (TCDO) formulated for intravenous injection. It was developed by Oxo Chemie in Switzerland as an adjunctive therapy to combination antiretroviral and opportunistic infection prophylaxis regimens in AIDS patients. WF 10 specifically targets macrophages. WF10 potentially modulates disease-related up-regulation of immune responses both in vitro and in vivo. Thus immune response is influenced in a way that inappropriate inflammatory reactions are downregulated.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05390","Name":"INS 316","DrugType":"small molecule","HalfLife":"","Description":"INS316 belongs to the family of drugs called nucleoside triphosphates.It is studied in the diagnosis of lung diseases, including lung cancer. It is selective P2y2 receptor antagonists claimed to be useful as anti-inflammatory agents.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in lung cancer.","Toxicity":"","MechanismOfAction":"INS316 helps to bring up a sample of mucus from deep in the lungs and improves the quality of the sample for testing.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05391","Name":"liposomal prostaglandin E1","DrugType":"small molecule","HalfLife":"","Description":"Liposome-encapsulated form of prostaglandin E1 (Liprostin) is known to be a potent vasodilator and platelet inhibitor as well as an anti-inflammatory and anti-thrombotic agent. The liposomal formulation of PGE-1 changes the drug’s dynamics and improve its therapeutic index in ways that PGE-1 alone could not achieve.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in neuropathy (diabetic) and peripheral vascular disease.","Toxicity":"","MechanismOfAction":"The encapsulated formulation (Liprostin) has been shown to improve the therapeutic index of PGE-1, positively impacting many areas of treatment, such as heart attacks, occlusive disease, ischemic ulcers, critical limb salvage, claudicants, and arthritis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05392","Name":"AI-700","DrugType":"small molecule","HalfLife":"","Description":"AI-700 is a cardiovascular drug designed to enable ultrasound to compete more effectively with nuclear stress testing; currently the leading procedure for detecting coronary heart disease. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in coronary artery disease and myocardial infarction.","Toxicity":"","MechanismOfAction":"AI-700 perfusion echocardiography has the potential to be a cost-effective and convenient alternative to nuclear perfusion imaging. AI-700 is easy to use and echocardiographers in the clinical trials can be trained to use it after imaging only a few patients. Based on data from previous clinical trials, ultrasound enhanced with AI-700 was able to image myocardial perfusion and obtain information that appears comparable to nuclear imaging. Acusphere's Phase 3 program is designed with the appropriate comparative standards to determine the value of AI-700 perfusion echocardiography relative to nuclear perfusion imaging. These standards are coronary angiography, nuclear perfusion imaging, and patient outcome.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05393","Name":"NOV-002","DrugType":"small molecule","HalfLife":"","Description":"NOV-002, the lead compound acts as a chemoprotectant and an immunomodulator, in combination with chemotherapy. NOV-002 is approved and marketed in the Russian Fereration by Pharma BAM under the trade name Glutoxim. It has been administered to over 10,000 patients, demonstrating clinical efficacy and excellent safety data.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer, lung cancer, and ovarian cancer.","Toxicity":"","MechanismOfAction":"NOV-002 stimulates the immune system in different ways and stop tumor cells from growing. Drugs used in chemotherapy, such as doxorubicin, cyclophosphamide, and docetaxel, work in different ways to stop the growth of tumor cells, either by killing the cells or by stopping them from dividing. Giving more than one drug (combination chemotherapy) may kill more tumor cells. Giving NOV-002 together with chemotherapy before surgery may make the tumor smaller and reduce the amount of normal tissue that needs to be removed.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05394","Name":"corticotropin-releasing factor","DrugType":"small molecule","HalfLife":"","Description":"Corticotropin-releasing factor is studied in the treatment of brain cancer. It is made naturally by the hypothalamus (a part of the brain) and can also be made in the laboratory. Human corticotropin-releasing factor may help reduce symptoms caused by edema (swelling) of the brain. It is a type of neurohormone, also called hCRF.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in brain cancer and neurologic disorders.","Toxicity":"","MechanismOfAction":"Corticotropin-releasing factor is produced by neuroendocrine cells in the paraventricular nucleus of the hypothalamus and is released from neurosecretory terminals of these neurons into the primary capillary plexus of the hypothalamo-hypophyseal portal system. The portal system carries the Corticotropin-releasing hormone(CRH) to the anterior lobe of the pituitary, where it stimulates corticotropes to secrete corticotropin (ACTH) and other biologically active substances (for example β-endorphin).","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB01109"}],"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05395","Name":"SR 58611","DrugType":"small molecule","HalfLife":"","Description":"SR 58611 is an agonist for atypical beta3-adrenoceptors which inhibits intestinal motility.\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in depression, irritable bowel syndrome (IBS), and obesity.","Toxicity":"","MechanismOfAction":"SR 58611 has positive chronotropic effect which is mainly of peripheral origin and can be attributed to a baroreceptor-mediated reflex due to the beta3-adrenoceptor mediated vasodilation with an increase in sympathetic tone and a reduction in vagal tone to the heart.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05396","Name":"albumin-interferon alpha","DrugType":"small molecule","HalfLife":"","Description":"Albumin-interferon alpha (Albuferon) is a novel, long-acting form of interferon alpha. Recombinant interferon alpha is approved for the treatment of hepatitis C, hepatitis B, and a broad range of cancers. Human Genome Sciences modified interferon alpha to improve its pharmacological properties by using the company's proprietary albumin fusion technology. Human Genome Sciences is developing Albuferon as a potential treatment for chronic hepatitis C. \r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"Interferons belong to a family of proteins known as cytokines that occur naturally in the human body. Cytokines control cellular processes, such as cell growth, activation, migration and aging. While the precise mechanism of action for interferon alpha is not known, research has demonstrated direct antiviral activity in patients with diseases like hepatitis C, as well as immune-modulating and direct antitumor effects in certain types of cancer.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05397","Name":"personalized immunotherapy","DrugType":"small molecule","HalfLife":"","Description":"Personalized Immunotherapy is an investigational treatment based on the unique genetic makeup of a patient's tumor and is designed to activate a patient's immune system to identify and attack cancer cells. Personalized Immunotherapy is commonly referred to as a patient-specific or personalized immunotherapy, an active idiotype immunotherapy, or a patient-specific or personalized cancer vaccine. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in congestive heart failure, graft versus host disease, heart disease, leukemia (lymphoid), neurologic disorders, peripheral vascular disease, and psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"Personalized immunotherapy is intended to stimulate an active and durable immune response specifically against an individual patient's malignant cells. Each therapy is also tumor-specific, so that in theory, cells other than those of the tumor should not be affected. These are important differences compared to passive immunotherapies for non-Hodgkin's lymphoma (NHL), such as monoclonal antibodies that, while in circulation, target cell surface markers present on both malignant and non-malignant cells in every patient.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05398","Name":"C31G","DrugType":"small molecule","HalfLife":"","Description":"C31G is a potent broad spectrum antimicrobial agent, effective against gram positive and gram negative bacteria, yeast and fungi.C31G, vaginal gel is developed by Biosyn Inc. and has commenced enrollment in a phase III pivotal clinical trial for the reduction of sexual transmission of human immunodeficiency virus (HIV).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in contraception, HIV infection, and prevention of stdis.","Toxicity":"","MechanismOfAction":"The range of organisms killed by C31G has been extended to include enveloped viruses. Coupled with data indicating a low toxicity for mammalian cells, and a much wider range of anti-microbial activity than Nonoxynol-9, it appears that C31G is an ideal agent for use in decreasing the risk of transmission of organisms associated with STD. C31G is developed as a topical vaginal microbicide with broad-spectrum antibacterial and antiviral properties. C31G which has a high affinity for bacteria, fungi, yeast, and viruses while exhibiting low mammalian cell toxicity. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05399","Name":"AGI-1067","DrugType":"small molecule","HalfLife":"","Description":"AGI-1067, is a novel small molecule with anti-oxidant and anti-inflammatory properties that was discovered by AtheroGenics and designed to treat atherosclerosis of the blood vessels of the heart, or coronary artery disease.","Classification":{"Description":"This compound belongs to the phenol esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.","DirectParent":"Phenol Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Esters"},"Indication":"Investigated for use/treatment in atherosclerosis, coronary artery disease, diabetes mellitus type 2, and in-stent restenosis.","Toxicity":"","MechanismOfAction":"AGI-1067 works by inhibiting key oxidant signals within cells of blood vessel walls that generate inflammatory processes that are key to the pathogenesis of atherosclerosis. This includes inhibition of inflammatory cytokines, chemokines and vascular adhesion molecules that participate in the initiation, growth and eventual destabilization of the plaque. Its anti-oxidant properties also play a role in its ability to inhibit the formation of oxidized LDL, a critical component in the formation of atherosclerotic plaque.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05400","Name":"QS-21","DrugType":"biotech","HalfLife":"","Description":"QS-21 is an investigational adjuvant, which is a substance added to vaccines and other immunotherapies that is designed to enhance the body’s immune response to the antigen contained within the treatment. It is the leading member of the Stimulon family of adjuvants. As a vaccine additive, it is currently being evaluated in clinical trials in a variety of disease areas by Antigenics.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in genital herpes, HIV infection, hepatitis (viral, B), influenza, malaria, melanoma, and viral infection.","Toxicity":"","MechanismOfAction":"QS-21 has the potential ability to increase total vaccine-specific antibody response and T-cell response. In addition, QS-21 appears to increase potency of the vaccine with relatively small quantities of antigen and to exhibit synergy with other adjuvants. Because of the ability of QS-21 to improve the body’s immune response to very low doses of antigen, vaccine antigen may be ‘spared,’ which could significantly decrease the amount of antigen required for a given dose and make vaccine production more economical.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05402","Name":"ME-609","DrugType":"small molecule","HalfLife":"","Description":"ME-609 is a Medivir’s combination treatment against labial herpes which suppresses the virus while moderating the immune system’s reaction. Clinical trials demonstrated that cold sores become far smaller, and in a significant number of cases, do not arise. This concept is highly competitive since none of the market’s current pharmaceuticals can prevent the incidence of cold sores.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in herpes labialis infections (cold sores).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05403","Name":"CEP-1347","DrugType":"small molecule","HalfLife":"","Description":"CEP-1347 is a semi-synthetic compound shown to protect multiple nerve cell types from a variety of insults leading to programmed cell death (apoptosis) which could improve the survival of dopamine neurons prior to and after transplantation.","Classification":{"Description":"This compound belongs to the indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.","DirectParent":"Indolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"Investigated for use/treatment in asthma and parkinson's disease.","Toxicity":"","MechanismOfAction":"CEP-1347, an orally active molecule, is a selective and potent inhibitor of the stress-activated protein kinase pathway, an intracellular signaling pathway that is an essential component of the stress response leading to neuronal death. In-vitro cell culture systems and in-vivo mouse and non-human primate models of Parkinson's disease have shown that CEP-1347 protects dopamine neurons in the substantia nigra, the area of the brain affected by Parkinson's disease.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05404","Name":"AZD 3355","DrugType":"small molecule","HalfLife":"","Description":"AZD 3355 is a reflux inhibitor used for the treatment of Gastroesophageal Reflux Disease. It is developed by AstraZeneca and is currently in phase I/II trials.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in gastroesophageal reflux disease (GERD).","Toxicity":"","MechanismOfAction":"AZD3355 is reflux inhibitors which offer a new approach to the treatment of Gastroesophageal reflux disease (GERD) by improving the function of the lower oesophageal sphincter (LOS) through receptors responsible for opening and closing the sphincter.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05405","Name":"XTL-001","DrugType":"biotech","HalfLife":"","Description":"XTL001 is an investigational monoclonal antibody (MAb) product developed by XTL Biopharmaceuticals to evaluate the safety profile and antiviral activity of the compound in patients chronically infected with hepatitis B virus (HBV).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hepatitis (viral, B).","Toxicity":"","MechanismOfAction":"XTL001 is a combination of two high-affinity, fully human monoclonal antibodies that bind to distinct sites on the surface antigen of HBV to neutralize the virus and limit viral escape. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05406","Name":"GTI-2501","DrugType":"small molecule","HalfLife":"","Description":"GTI-2501 is a novel antisense drug which has shown a favorable safety profile in preclinical studies, and in a phase I clinical trial. The drug is in a phase II clinical trial in combination with docetaxel for the treatment of hormone refractory prostate cancer. Initial testing has demonstrated strong antitumor activity in preclinical studies in prostate cancer and a variety of other tumor types.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in prostate cancer and solid tumors.","Toxicity":"","MechanismOfAction":"GTI-2501 is an antisense oligonucleotide complementary to the R1 component of ribonucleotide reductase, which component is essential for DNA replication and tumor cell proliferation. GTI-2501 is designed to exert its activity by specific downregulation of the R1 component of ribonucleotide reductase. In preclinical studies, GTI-2501 showed significant antitumor activity against prostate cancer and a variety of other tumor types including colon, pancreas, NSCLC, breast, ovary, melanoma, brain (glioblastoma-astrocytoma), renal, cervical, lymphoma and leukemia.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05407","Name":"TBC-3711","DrugType":"small molecule","HalfLife":"","Description":"TBC3711 is a next-generation endothelin antagonist that is being studied through oral and intravenous formulations by Encysive Pharmaceuticals.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in congestive heart failure, hypertension, and pulmonary hypertension.","Toxicity":"","MechanismOfAction":"TBC3711 is a small molecule that blocks the action of endothelin, a potent mediator of blood vessel constriction and growth of smooth muscle in vascular walls. It is a next-generation endothelin A antagonist which possesses high oral bioavailability and is more selective and potent than THELIN(tm) (sitaxsentan sodium) Encysive's oral treatment for pulmonary arterial hypertension. TBC3711 is greater than 100,000-fold selective in the targeting of the endothelin A receptor versus the endothelin B receptor.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05408","Name":"IDN-6556","DrugType":"small molecule","HalfLife":"","Description":"IDN-6556 is the first caspase inhibitor tested in human which has received orphan drug status by FDA. It is developed by Pfizer and made in such a way that it protects liver cells from excessive apoptosis. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C), liver disease, and transplantation (organ or tissue).","Toxicity":"","MechanismOfAction":"IDN-6556 significantly improves markers of liver damage in patients infected with the Hepatitis C virus (HCV), an infection that affects up to 170m patients worldwide. IDN-6556 represents a new class of drugs that protect the liver from inflammation and cellular damage induced by viral infections and other causes. Various studies have also shown that it significantly lowers aminotransferase activity in HCV patients and appeared to be well tolerated.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05409","Name":"NCX 701","DrugType":"small molecule","HalfLife":"","Description":"Nitroparacetamol (NCX-701) is a newly synthesized nitric oxide-releasing derivative of paracetamol.","Classification":{"Description":"This compound belongs to the phenol esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.","DirectParent":"Phenol Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Esters"},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"NCX-701 (nitroparacetamol) is a NO-releasing derivative of paracetamol (acetaminophen) that has shown potent antinociceptive and anti-inflammatory properties. NCX-701 induces a potent antinociceptive effect by a mechanism different from and complementary to that of paracetamol, and its action is mainly located within the spinal cord in monoarthritic animals.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05410","Name":"NCX 1022","DrugType":"small molecule","HalfLife":"","Description":"NCX is an NO-releasing derivative of hydrocortisone.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in atopic dermatitis.","Toxicity":"","MechanismOfAction":"NCX 1022 is designed to have potent anti- inflammatory activity combined with a significantly improved safety and tolerability profile, in particular the absence of skin blanching after repeated use.It is better than hydrocortisone in terms of inhibiting benzalkonium chloride-induced leukocyte adhesion to the endothelium, without affecting the flux of rolling leukocytes or venule diameter. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05411","Name":"VB2-011","DrugType":"biotech","HalfLife":"","Description":"VB2-011 is an antibody developed as an anti-cancer treatment. According to some preclinical studies, it has a potential to inhibit tumour growth in various cancers including lymphoma and melanoma. This drug includes the parent IgM (H11 IgM) and a recombinant IgG version (H11 IgG).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05412","Name":"SCIO-469","DrugType":"small molecule","HalfLife":"","Description":"SCIO-469 is the first-generation oral p38 MAP kinase inhibitor developed by Scios. It has shown to be effective to cure inflammatory diseases such as Rheumatoid Arthritis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic) and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"SCIO-469 inhibits p38 kinase, a stimulatory modulator of pro-inflammatory factors including tumor necrosis factor-alpha (TNFa), interleukin-1 (IL-1), and cyclooxygenase-2 (COX-2), all of which are known to contribute to both symptoms and disease progression in patients with Rheumatoid Arthritis (RA). Existing protein-based products that antagonize TNFa have been shown to markedly relieve the symptoms and retard the progression of RA. It also has the potential for additional benefits associated with its inhibition of IL-1 and COX-2.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05413","Name":"T-1249","DrugType":"small molecule","HalfLife":"","Description":"T-1249 is the first members of a new class of anti-HIV drugs which is also called fusion inhibitors. It has received fast track designation from the FDA and is in Phase I/II clinical testing.","Classification":{"Description":"This compound belongs to the peptidomimetics. These are compounds containing non-peptidic structural elements that is capable of mimicking or antagonizing the biological action(s) of a natural parent peptide.","DirectParent":"Peptidomimetics","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in acquired immune deficiency syndrome (AIDS) and aids-related infections and HIV infection.","Toxicity":"","MechanismOfAction":"T-1249 binds to a slightly different region of the HIV virus than Fuzeon (enfuvirtide). As a result,it exhibits activity against Fuzeon-resistant viruses. T-1249 is designed to block fusion of HIV with host cells before the virus enters the cell and begins its replication process.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05414","Name":"ERA-923","DrugType":"small molecule","HalfLife":"","Description":"ER modulator, ERA-923(Pipendoxifene) is a estrogen receptor modulator being evaluated for the treatment of breast cancer. Pipendoxifene is a new 2-phenyl indole selective estrogen receptor modulators (SERM )that exhibits an excellent preclinical pharmacological profile and was selected for further development as a treatment for metastatic breast cancer.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer.","Toxicity":"","MechanismOfAction":"ERA-923 inhibits estrogen-stimulated growth associated with cytostasis. It has been shown to have a potent, selective oestrogen modulating effect, with few uterine side-effects.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05415","Name":"OSI-461","DrugType":"small molecule","HalfLife":"","Description":"OSI-461 is a second-generation molecule belonging to a new class of drugs termed selective apoptotic anti-neoplastic drugs (SAANDs).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in crohn's disease, inflammatory bowel disease, kidney cancer, leukemia (lymphoid), and prostate cancer.","Toxicity":"","MechanismOfAction":"OSI-461 is cGMP phosphodiesterase (cGMP-PDEs) inhibitors which is designed to lead to sustained activation of the intracellular signaling protein, Protein Kinase G (PKG), and subsequent stimulation of apoptosis through the c-Jun kinase pathway. Broad spectrum inhibition of cGMP-PDEs have been shown to lead to elevation in cGMP levels and the sustained activation of PKG. This in turn directly phosphorylates MEKK1 leading to activation of the N-terminal c-Jun kinase (JNK-1) pathway, a known pro-apoptotic signaling pathway.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05416","Name":"GW 501516","DrugType":"small molecule","HalfLife":"","Description":"GW-501516 is a peroxisome proliferator-activator receptor-delta agonist for the potential treatment of dyslipidemia. It is developed by GlaxoSmithKline. This drug is in Phase II clinical trials .","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"Investigated for use/treatment in hyperlipidemia.","Toxicity":"","MechanismOfAction":"This drug regulates fatty acid oxidation in several tissues, such as skeletal muscle and adipose tissue. Overexpression of PPARdelta using a transgenic murine model promotes an increase of muscle oxidative capability. It also plays a major role in the metabolic adaptations to western diet characterized by an excessive amount of saturated fat.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05417","Name":"GW 468816","DrugType":"small molecule","HalfLife":"","Description":"GW 468816 is glycine receptor antagonist. It is designed to aid abstinence in people who have just quit smoking, delaying the time to relapse. It was undergoing phase II trials since December 2003.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in tobacco dependence.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05418","Name":"GW 597599","DrugType":"small molecule","HalfLife":"","Description":"GW 597599, a neurokinin-1 (NK1) receptor antagonist is currently in phase II trials for chemotherapy-induced vomiting; functional dyspepsia; depression and anxiety.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy), anxiety disorders, depression, and gastrointestinal diseases and disorders (miscellaneous).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05419","Name":"ADX-10061","DrugType":"small molecule","HalfLife":"","Description":"ADX10061 is a potent, selective antagonist of the dopamine D1 receptor. It is developed by Addex Pharmaceuticals for the treatment of nicotine dependence.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in sleep disorders, smoking cessation, and substance abuse.","Toxicity":"","MechanismOfAction":"Activation of dopamine D1 receptor in the brain is implicated in reward-seeking behaviours and cue-induced craving, and is the fundamental mechanism by which nicotine causes addiction. Both reward (the “feel good” sensation a smoker gets from a cigarette) and cue (the habitual situations that trigger the craving to smoke) are important drivers of the desire to smoke. Blocking the D1 receptor will, it is hoped, reduce the association with the stimuli specific to reward-seeking behaviour that lead smokers who are trying to quit starting smoking again.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05420","Name":"gallium maltolate","DrugType":"small molecule","HalfLife":"","Description":"Gallium maltolate is Titan’s novel oral agent in development for the potential treatment of chronic bacterial infections, bone disease and cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bladder cancer, lymphoma (unspecified), multiple myeloma, paget's disease, and prostate cancer.","Toxicity":"","MechanismOfAction":"Gallium maltolate is a novel orally active formulation of gallium, a semi-metallic element that is a potent inhibitor of ribonucleotide reductase, an enzyme that promotes tumor growth.Gallium is also known to concentrate in malignant tumors and sites of infection, and appears to favorably impact calcium deposition, making bones more resistant to degradation caused by cancer metastasis. Titan's novel product, gallium maltolate, may significantly expand the therapeutic potential of gallium by providing the advantages of enhanced bioavailablity, a potentially improved therapeutic profile and ease of administration.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05421","Name":"CP-122721","DrugType":"small molecule","HalfLife":"","Description":"CP-122721, neurokinin 1 (NK1) antagonist is developed by Pfizer to treat depression, emesis, and inflammatory diseases including asthma and irritable bowel syndrome.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma, depression, and irritable bowel syndrome (IBS).","Toxicity":"","MechanismOfAction":"CP-122721 interacts with high affinity at the human NK1 receptor expressed in IM-9 cells. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05422","Name":"OPC-14523","DrugType":"small molecule","HalfLife":"","Description":"OPC-14523 is an antidepressant drug developed by Otsuka America Pharmaceutical.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bulimia, depression, and obsessive-compulsive disorders.","Toxicity":"","MechanismOfAction":"OPC-14523 is a serotonin reuptake inhibitor. It treats depression, especially refractory depression, in a mammal, including a human, by administering to the mammal a sigma receptor ligand in combination with an antidepressant agent. It also relates to pharmaceutical compositions containing a pharmaceutically acceptable carrier, a sigma receptor ligand and a serotonin reuptake inhibitor.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05423","Name":"ORG-34517","DrugType":"small molecule","HalfLife":"","Description":"ORG-34517 is currently under investigation by Organon for the treatment of depression. It has potential to treat a number of diseases such as Cushing’s disease, hypertension, diabetes, glaucoma etc, in which the activity of metabolites corticosterone and cortisol is high.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in depression.","Toxicity":"","MechanismOfAction":"Org-34517 is a glucocorticoid antagonist which may have a potential in a number of diseases where there is excess corticosterone/cortisol activity. The drug acts by normalizing hyperactivity in the hypothalamus-pituitary-adrenal (HPA) axis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05424","Name":"CI-1033","DrugType":"small molecule","HalfLife":"","Description":"CI-1033 is a pan-erbB tyrosine kinase inhibitor which work against esophageal squamous cell carcinoma in vitro and in vivo. CI-1033 treatment significantly affects tumour metabolism, proliferation and hypoxia as determined by PET.\r\n\r\n","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"Investigated for use/treatment in breast cancer and lung cancer.","Toxicity":"","MechanismOfAction":"CI-1033 effectively inhibits the growth of esophageal squamous cell carcinoma which co-expresses both EGFR and HER2 with the inhibition of phosphorylation of both MAPK and AKT. Some studies suggest that CI-1033 holds significant clinical potential in esophageal cancer.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05425","Name":"triacetyl uridine","DrugType":"small molecule","HalfLife":"","Description":"Triacetyl uridine is a novel approach for treating neurodegenerative diseases associated with impaired mitochondrial function. Triacetyluridine delivers exogenous pyrimidines to the brain, which may help to compensate for bioenergetic defects. \r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bipolar disorders, depression, kidney disease, metabolic disease, and pediatric indications.","Toxicity":"","MechanismOfAction":"Triacetyluridine is a synthetic uridine pro-drug that is converted to uridine in vivo. Uridine, a pyrimidine nucleotide, has been used in a variety of diseases including depressive disorders and inherited myopathies. It is also being studied for its ability to protect against the gastrointestinal side effects caused by fluorouracil. It belongs to the family of drugs called cytoprotective agents.It also protects normal cells from the side effects of chemotherapy.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05426","Name":"talactoferrin alpha","DrugType":"small molecule","HalfLife":"","Description":"Talactoferrin alfa is a novel immunomodulatory 80 kD protein with demonstrated oral anti-tumor properties. Lactoferrin, a protein found in breast milk is developed by Agennix. It increases body’s immune power and also works as a natural antioxidant, helping to control cell and tissue damage caused by oxidation.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy), cancer/tumors (unspecified), diabetic foot ulcers, lung cancer, solid tumors, and ulcers.","Toxicity":"","MechanismOfAction":"Oral talactoferrin stimulated the production of the immunostimulatory cytokine IL-18 in mice, increasing IL-18 levels both in the gut and in systemic circulation. Oral talactoferrin was also shown to stimulate the activity of NK cells and to increase the production and activity of key circulating immune cells.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05427","Name":"IDD-3","DrugType":"biotech","HalfLife":"","Description":"IDD-3 is a therapeutic specific immunostimulant developed by IDM Pharma in partnership with sanofi-aventis. It consists of mature dendritic cells loaded with lysates from melanoma tumor cell lines. It includes Dendritophages that are dendritic cells, a type of specialized immune cells derived from the patient's own white blood cells. \r\n\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in melanoma.","Toxicity":"","MechanismOfAction":"IDD-3 is well tolerated with evidence of efficacy and induction of immune response in patients with progressive metastatic melanoma.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05428","Name":"motexafin gadolinium","DrugType":"small molecule","HalfLife":"","Description":"Motexafin gadolinium is studied in the treatment of cancer by Pharmacyclics. It may make tumor cells more sensitive to radiation therapy, improve tumor images using magnetic resonance imaging (MRI), and kill cancer cells. It belongs to the family of drugs called metalloporphyrin complexes. Also called gadolinium texaphyrin.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in brain cancer, cancer/tumors (unspecified), lung cancer, and lymphoma (non-hodgkin's).","Toxicity":"","MechanismOfAction":"Motexafin gadolinium (Xcytrin) is Pharmacyclics' most advanced anti-cancer product candidate, a small-molecule drug with a novel mechanism of action. Xcytrin accumulates selectively in cancer cells due to their increased rates of metabolism. Once inside the cell, Xcytrin induces apoptosis (programmed cell death) by disrupting redox-dependent pathways. Xcytrin inhibits the enzyme thioredoxin reductase, which is a tumor growth promoter. This mechanism provides the opportunity to use Xcytrin in a wide range of cancers. Xcytrin is paramagnetic, and therefore is detectable by magnetic resonance imaging (MRI), allowing the visualization of the drug in tumors.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05429","Name":"CAT-213","DrugType":"biotech","HalfLife":"","Description":"CAT-213 is a fully human anti-eotaxin monoclonal antibody with potential in the treatment of allergic disorders, has moved into pre-clinical development. It is developed by MedImmune for the treatment of Allergic Rhinitis.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in allergic rhinitis.","Toxicity":"","MechanismOfAction":"CAT-213 targets eotaxin, a member of the chemokine family of proteins that acts as messenger molecules between the cells of the immune system. During an allergic response the levels of eotaxin1 are elevated. This attracts eosinophils, a type of white blood cell, into tissues where they can degranulate causing tissue damage that occurs in a variety of allergic disorders.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05430","Name":"VLTS-589","DrugType":"small molecule","HalfLife":"","Description":"VLTS-589 consists of plasmid encoding the angiomatrix protein Del-1 in conjunction with poloxamer 188 for the treatment of peripheral vascular disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in peripheral vascular disease.","Toxicity":"","MechanismOfAction":"VLTS-589 is an investigational nonviral therapeutic comprising a plasmid-expressing Del-1 formulated with poloxamer 188 (facilitating agent). Del-1 plasmid-polaxamer enhances gene transfer at doses that are an order of magnitude different than other comparable trials in a unique bilateral intramuscular dosing pattern to maximize transfection/clinical efficacy and general applicability to patients with peripheral arterial disease (PAD).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05431","Name":"MLN-977","DrugType":"small molecule","HalfLife":"","Description":"MLN-977 is a small molecule compound that inhibits the production of leukotrienes, especially 5-lipoxygenase. It is developed by PharmaEngine to treat asthma and chronic obstructive pulmonary disease. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma and chronic obstructive pulmonary disease (COPD).","Toxicity":"","MechanismOfAction":"MLN977 is a second generation compound in the class of asthma therapies known as 5-LO inhibitors, which block the production of leukotrienes. Leukotrienes are major mediators of the inflammatory response.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05432","Name":"DAS-431 IV","DrugType":"small molecule","HalfLife":"","Description":"DAS-431 IV is a dopamine D1 receptor agonist developed by DrugAbuse Sciences for the treatment of Addictions, Schizophrenia, Schizoaffective Disorders, Dementia, Parkinson's Disease, Strokes etc. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in addictions, dementia, parkinson's disease, schizophrenia and schizoaffective disorders, and strokes.","Toxicity":"","MechanismOfAction":"DAS-431 IV is a dopamine D1 receptor agonist which is in Phase II evaluation for the treatment of cognitive impairment in the elderly and cocaine addiction and is in development for a broad range of CNS diseases, including schizophrenia. Dopamine D1 receptors are thought to play a role in mediating cognitive processes in the prefrontal cortex, particularly working memory. The number of D1 receptors appears to be decreased in the elderly, chronic addicts, patients with schizophrenia and, possibly, patients with Parkinson's disease and those who have experienced a stroke. DAS-431 directly activates D1 receptors in the prefrontal cortex and may be useful in treating these conditions. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05433","Name":"rGLP-1","DrugType":"small molecule","HalfLife":"","Description":"rGLP-1 is a continuous infusion of glucagon-like peptide 1, or GLP-1, targeted for the treatment of congestive heart failure (CHF) in patients ineligible for transplant. GLP-1 is a naturally occurring hormone produced in the intestines in response to food intake.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in congestive heart failure and diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"These rGLP-1 mimetics bind to rGLP-1 receptors with similar affinity and produce biological actions identical to those of native rGLP-1 which controls blood glucose via multiple actions including stimulation of insulin secretion and inhibition of both glucagon secretion and gastric emptying. Preclinical data suggest that rGLP-1 analogs engage signaling pathways in the islet beta-cell that lead to stimulation of beta-cell replication and inhibition of beta-cell apoptosis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05434","Name":"ABT-510","DrugType":"small molecule","HalfLife":"","Description":"ABT-510 is peptide mimetics of thrombospondin-1 (TSP-1), block angiogenesis in vitro and in vivo and slow tumor growth. It is developed by Abbott Laboratories for the treatment of Solid Tumors, Lymphoma and Melanoma.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in lymphoma (unspecified), melanoma, and solid tumors.","Toxicity":"","MechanismOfAction":"ABT-510 is a synthetic peptide that mimics the anti-angiogenic activity of the naturally occurring protein, thrombospondin-1 (TSP-1). Angiogenesis is the process of new blood vessel formation. ABT-510 blocks the actions of multiple pro-angiogenic growth factors known to play a role in cancer related blood vessel growth, such as VEGF, bFGF, HGF, and IL-8. ABT-510 is the first compound with this mechanism of action to be studied.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05435","Name":"TNX-355","DrugType":"biotech","HalfLife":"","Description":"TNX-355 is a monoclonal antibody that binds to CD4 receptors on the surface of CD4-positive cells, preventing the entry of HIV particles into lymphocytes. It is the most-advanced antibody in development for the treatment of HIV/AIDS.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"TNX-355 is a humanized viral-entry inhibitor monoclonal antibody that coats CD4-positive cells -- the primary target of HIV infection. By blocking viral entry into CD4, TNX-355 creates a hurdle for HIV different from entry inhibitors that target viral proteins or chemokine co-receptors.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05436","Name":"RK-0202","DrugType":"small molecule","HalfLife":"","Description":"A substance that is being studied in the prevention of oral mucositis in patients receiving radiation therapy or chemotherapy for head and neck cancer. It is an oral polymer matrix-based rinse formulation that contains N-acetylcysteine, an antioxidant amino acid derivative with antiinflammatory properties.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy).","Toxicity":"","MechanismOfAction":"RK-0202, an oral rinse for the prevention and treatment of mucositis, is based on the company's ProGelz technology and is comprised of the potent antioxidant N-acetylcysteine in a polymer matrix.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05437","Name":"RIGScan CR49","DrugType":"biotech","HalfLife":"","Description":"RIGScan CR49, a 125I-labelled CR monoclonal antibody directed against the tumour-associated antigen TAG-72, is undergoing development with Neoprobe for the intraoperative detection of metastatic colorectal cancer.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in colorectal cancer and solid tumors.","Toxicity":"","MechanismOfAction":"RIGScan CR49 is used to locate cancerous tissue during surgery for patients with metastatic cancer of the colon or rectum (colorectal). In multicenter Phase II and pivotal Phase III clinical trials, RIGScan CR49 located tumor confirmed by pathology tests in 90 percent of evaluable patients who participated in the studies. The product found pathology-confirmed tumor that was missed by the surgeon and by preoperative diagnostic scans in one of five of the evaluable patients.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05438","Name":"IDM-4","DrugType":"biotech","HalfLife":"","Description":"IDM-4 is an immuno-designed molecule that completed phase I/II of investigation for the treatment of Leukemia. It is a monoclonal antibody-specific antigen that can selectively target cancer-affected cells by coupling with tumor cell-killing MAK cells, which are derived from the patient's own monocytes. Trials of this drug have most likely been discontinued by the manufacturer.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in leukemia (lymphoid).","Toxicity":"Toxicity is reported to be low for various Monoclonal antibodies.","MechanismOfAction":"The lipid promotes fusion of liposomes to cells. Specifically, IDM-4 targets tumor cells by coupling MAK cells with tumor antigens obtained from the patient. ","Pharmacodynamics":"This monoclonal antibody-specific antigen selectively targets cancer-affected cells by coupling with tumor cell-killing MAK cells, which are derived from the patient's own monocytes.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05439","Name":"IDD-1","DrugType":"biotech","HalfLife":"","Description":"Lipids promote the fusion of liposomes to cells. Eladem (IDD-1) is a therapeutic vaccine consisting of dendritophages that are loaded in vitro with tumor antigens and then reinjected into the subject. As with other monoclonal antibodies, this process stimulates an immune response to a particular disease-related antigen.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in prostate cancer.","Toxicity":"MoABs have been reported to have low toxicity, as they successfully target the tumor cells.","MechanismOfAction":"The lipid promotes fusion of liposomes to cells. Specifically, IDD-1 targets tumor cells by coupling dendritophages with tumor antigens obtained from the patient. ","Pharmacodynamics":"IDD-1 specifically targets cancer cells by simulating a natural immune response. IDD-1 is produced by coupling dendritophages with tumor antigens obtained from the individual patient. The resulting vaccine is then reinjected into the subject. ","Absorption":"3 doses x 3 cycles [each dose divided in 1 i.v.,4 s.c. and 1 i.d. injection]","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05440","Name":"SRP 299","DrugType":"small molecule","HalfLife":"","Description":"SRP 299 is a preparation of killed Mycobacterium vaccae that has been tested in uses related to inhibiting periodontal disease, in treating asthma and in treating eczema, itching and inflammation. Mycobacterium vaccae is a non-pathogenic, saprophytic bacteria whose antigens can be used to induce peripheral immune activation through the activity of regulatory T-cells that surpress inappropriate Th2 activity. A specific subset of serotonergic neurons in the interfascicular part of the dorsal raphe nucleus (DRI) is believed to be involved, based on studies with mice. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma, atopic dermatitis, and pediatric atopic dermatitis indications.","Toxicity":"","MechanismOfAction":"Induces activity of regulatory t-cells that surpress Th2 activity. CD11c+ cells act as the primary target for M. vaccae.","Pharmacodynamics":"Induces peripheral immune activation through the activity of regulatory T-cells","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05441","Name":"AVAC","DrugType":"biotech","HalfLife":"","Description":"AVAC is derived from M. vaccae. It has been tested in uses related to asthma and in treating eczema and atopic dermatitis.Mycobacterium vaccae is a non-pathogenic, saprophytic bacteria whose antigens can be used to induce peripheral immune activation through the activity of regulatory T-cells that surpress inappropriate Th2 activity.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in asthma and atopic dermatitis.","Toxicity":"Well tolerated and safe in asthma patients.","MechanismOfAction":"Induces peripheral immune activation through the activity of regulatory T-cells that surpress inappropriate Th2 cytokeine activity. ","Pharmacodynamics":"Mycobacterium vaccae is a non-pathogenic, saprophytic bacteria whose antigens can be used to induce peripheral immune activation through the activity of regulatory T-cells that surpress inappropriate Th2 activity.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05442","Name":"BNP-166","DrugType":"small molecule","HalfLife":"","Description":"BNP-166 is a soft corticosteroid with anti-inflammatory properties that has been indicated in the treatment of asthma and Chron's disease. Anti-asthmatic effects were associated with decreased cytokine production in lipopolysaccharide-stimulated lymphocytes and attenuated lectin-induced proliferation of blood mononuclear cells in tissue culture.","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"Investigated for use/treatment in asthma and crohn's disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05443","Name":"ADL 10-0101","DrugType":"small molecule","HalfLife":"","Description":"ADL 10-0101 is a peripheral kappa opioid agonist analgesic product candidate. Preclinical trials of ADL 10-0101 have suggested that the compound may be effective for the treatment of inflammatory pain, itch and visceral pain. Because ADL 10-0101 does not cross the blood-brain barrier and enter the brain when administered at therapeutic doses, it is expected to avoid central nervous system side effects.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in pain (acute or chronic) and rheumatoid arthritis. Trials are also being conducted for relieving burn pain and dermal itch.","Toxicity":"","MechanismOfAction":"Agonist at peripheral kappa opioid receptors","Pharmacodynamics":"ADL 10-0101 is a peripheral kappa opioid agonist. It cannot cross the blood-brain barrier.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05444","Name":"BRX-235","DrugType":"small molecule","HalfLife":"","Description":"BRX-235 (iroxanadine) is a a novel small molecule synthesized by Biorex, Hungary that acts as a cardioprotective agent. It induces phosphorylation of p38 SAPK, which plays an important role in EC homeostasis. endothelial cell (EC). EC function plays a central role in vascular diseases (e.g. atherosclerosis, restenosis, diabetic angiopathies, microvascular angina, peripheral arterial disease). BRX-235 also causes translocation of calcium-dependent protein kinase C isoform to membranes.","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"Investigated for use/treatment in atherosclerosis and vascular diseases as a cardioprotective agent. Its use has also been suggested for the prevention of early restenosis following vascular surgery or balloon angioplasty.","Toxicity":"","MechanismOfAction":"BRX-235 induces phosphorylation of p38 SAPK, which plays an important role in EC (endothelial cell) homeostasis. ","Pharmacodynamics":"EC (endothelial cell) function plays a central role in vascular diseases (e.g. atherosclerosis, restenosis, diabetic angiopathies, microvascular angina, peripheral arterial disease). BRX-235 induces phosphorylation of p38 SAPK, which plays an important role in EC homeostasis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05445","Name":"TA-NIC","DrugType":"biotech","HalfLife":"","Description":"TA-NIC is a novel and proprietary vaccine in development as an aid to quitting smoking in motivated patients. TA-NIC is an immunotherapeutic vaccine similar in concept to TA-CD, designed to raise anti-nicotine antibodies. The antibodies bind to nicotine molecules in the patient's blood stream, reducing the rate and quantity of nicotine entry into the brain and thus reducing the positive reinforcement and addiction associated with nicotine and cigarette smoking. It is expected that the reduction of the positive reinforcement will in turn reduce the desire to smoke or use other tobacco products.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in tobacco dependence.","Toxicity":"Appears to be well-tolerated.","MechanismOfAction":"Reduces nicotine entry into the brain and thus the positive reinforcement associated with smoking.","Pharmacodynamics":"Raises anti-nicotine antibodies. The antibodies bind to nicotine molecules in the patient's blood stream, reducing the rate and quantity of nicotine entry into the brain and thus reducing the positive reinforcement and addiction associated with nicotine and cigarette smoking. It is expected that the reduction of the positive reinforcement will in turn reduce the desire to smoke or use other tobacco products. Preliminary trials have supported this supposition.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05446","Name":"LJP 1082","DrugType":"small molecule","HalfLife":"","Description":"LJP 1082 is a Toleragen that is designed to shut down the B cells that produce antibodies to ß2 GP1. LJP 1082 is undergoing trial for for the treatment of stroke, deep-vein thrombosis and other conditions associated with antibody-mediated thrombosis. Antibody-mediated thrombosis, also called antiphospholipid syndrome (APS), is a blood clotting disorder. Patients with high levels of anticardiolipin antibodies (ACA) have an increased risk of stroke, heart attack, deep vein thrombosis, and recurrent fetal loss. The target of the LJP 1082's clot-promoting antibodies is a small region on a key blood protein called beta 2-glycoprotein I. To date, our scientists have shown that approximately 90% of patients studied with antibody-mediated thrombosis have antibodies that bind to this region.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in autoimmune diseases, strokes, and thrombosis.","Toxicity":"","MechanismOfAction":"The target of the LJP 1082's clot-promoting antibodies is a small region on a key blood protein called beta 2-glycoprotein I.","Pharmacodynamics":"LJP 1082, a Toleragen that is designed to shut down the B cells that produce antibodies to ß2 GP1.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05447","Name":"AVI-4557","DrugType":"small molecule","HalfLife":"","Description":"AVI-4557 is an oral antisense compound that selectively inhibits the metabolic enzyme cytochrome P450 3A4 (CYP), a liver enzyme responsible for the metabolism or breakdown of approximately half of currently marketed drugs. Studies indicate that AVI-4557 can successfully reduce the rate of metabolism for certain drugs, therefore allowing greater and longer availability of the drug in the patient's system through a decrease in clearance and an increase in maximal blood concentration (Cmax). AVI-4557 is therefore indicated to limit toxicity for patients receiving highly-toxic therapeutic drugs for treatment of anxiety, cancer, and a number of other serious conditions.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy) and adverse effects (drug).","Toxicity":"","MechanismOfAction":"selectively inhibits the metabolic enzyme cytochrome P450 3A4 (CYP), a liver enzyme responsible for the metabolism or breakdown of approximately half of currently marketed drugs. S","Pharmacodynamics":"selectively inhibits the metabolic enzyme cytochrome P450 3A4 (CYP), a liver enzyme responsible for the metabolism or breakdown of approximately half of currently marketed drugs. Studies indicate that AVI-4557 can successfully reduce the rate of metabolism when co-administered with certain therapeutic drugs, allowing greater and longer availability of the drug in the patient's system without an increase in toxicity.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05448","Name":"PX-12","DrugType":"small molecule","HalfLife":"","Description":"PX-12 (1-methylpropyl 2-imidazolyl disulfide) is a small-molecule inhibitor of Trx-1 (thioredoxin-1), stimulates apoptosis, down-regulates HIF-1α and vascular endothelial growth factor (VEGF) and inhibits tumor growth in animal models. Since high levels of Trx-1 have been associated with colorectal, gastric and lung cancers, PX-12 is indicated as a potential cancer treatment in combination with chemotherapy for patients with advanced metastatic cancer. Initial trials correlated doses of Px-12 with increased patient survival.","Classification":{"Description":"This compound belongs to the imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.","DirectParent":"Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), gastric cancer, and pancreatic cancer.","Toxicity":"Doses of PX-12 up to 226 mg/m2 were shown to be well tolerated and had minimal toxicity","MechanismOfAction":"PX-12 irreversibly inhibits the redox protein thioredoxin, which has been associated with cancer and tumor growth.","Pharmacodynamics":"PX-12 is a small molecule irreversible inhibitor of the redox protein thioredoxin. Thioredoxin is involved in the first unique step in DNA synthesis. Thioredoxin also provides control over a number of transcription factors affecting cell proliferation and death through the mechanism of redox regulation\r\nTrx regulates cell growth through the following steps:\r\n1) Trx is reduced into its active state, Trx (red) by the enzyme thioredoxin reductase.\r\n2) Trx enters the nucleus to regulate transcription factor activity (factors which affect DNA replication).\r\n3) Trx is excreted out of cell where it works with other growth factors (GF) to stimulate cell growth.\r\n\r\nIt has been shown that many cancer cells secrete thioredoxin; increased levels of thioredoxin protein have been reported in a wide range of human cancers including hepatoma, lung, squamous cervical carcinoma, primary gastric cancers, and colorectal carcinomas;thioredoxin stimulates the growth of a wide variety of human leukemia and solid tumor cell lines; thioredoxin, when it is over-produced, transforms normal cells into cancer cells; thioredoxin is a potent inhibitor of apoptosis and provides a survival as well as a growth advantage to tumors; elevated tumor thioredoxin levels have been associated with decreased patient survival in colon cancer and NSCLC; and elevated thioredoxin levels cause a decrease in sensitivity of cells to cancer drugs such as doxorubicin (14 fold), vincristine (8 fold), cisplatin (5 fold), and cytosine arabinoside (13 fold). Therefore PX-12, by limiting the over-expression of thioredoxin in human tumors, could reduce resistance to chemotherapy.\r\n","Absorption":"the optimum PD dose was identified as 96 mg/m2 as a 3-hr infusion","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05449","Name":"FM-VP4","DrugType":"small molecule","HalfLife":"","Description":"FM-VP4, is a novel hydrophilic phytostanol analogue representing a new class in cholesterol-lowering drugs called cholesterol absorption inhibitors. FM-VP4 has been shown to inhibit cholesterol absorption and to lower plasma LDL-cholesterol and total cholesterol in a broad range of animal species. Additional experiments suggest that FM-VP4 can reduce plasma LDL cholesterol levels and triglyceride levels, reduce weight gain and exert a anti-atherosclerosis effect\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hyperlipidemia and cancer/tumors (unspecified).\r\n\r\nMonotherapy is recommended for people with marginally high LDL-cholesterol or who cannot be prescribed statins due to drug interactions and safety concerns. Combination Therapy is recommended if statin therapy alone is either insufficient to achieve the guidelines set by the NCEP or there is concern over side effects as Statin doses can be lowered in combination treatment without losing efficacy.","Toxicity":"Clinical trials have indicated that the drug is well-tolerated.","MechanismOfAction":"FM VP4 is thought to bind competitively with cholesterol to MDR1 resulting in a synergistic decrease in cholesterol accumlation. Others have suggested that FM VP4 may act by inhibiting a transporter that mediates intestinal absorption of cholesterol.\r\nOne study indicates that FM-VP4 inhibits cholesterol accumulation within IEC-6 cells and is most effective at equimolar concentrations with cholesterol, further suggesting that the action of FM-VP4 is likely at the cell surface and not elicited intracellularly.","Pharmacodynamics":"FM VP4 is thought to bind competitively with cholesterol to MDR1 resulting in a synergistic decrease in cholesterol accumlation. Others have suggested that FM VP4 may act by inhibiting a transporter that mediates intestinal absorption of cholesterol. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05450","Name":"PYM50028","DrugType":"small molecule","HalfLife":"","Description":"Cogane (PYM50028/P58, p59, p63) is a novel non-peptide, orally bioavailable neurotrophic factor inducer that readily reverses free radical neurotoxicity produced by 1-ethyl-4- phenylpyridium (MPP+) in dopaminergic neurones and reverses the decrease of neuronal growth factors and dopamine receptors in the brain. Pre-clinical work with Cogane showed it to be neuroprotective against betya-amyloid and glutamate damage which contributes to Alzheimer's disease and reverses the changes in the area of the brain involved in Parkinson’s disease.\r\n\r\nP58 is a protein synthesis stimulant acts by restoring levels of proteins that are altered in the ageing brain, reversing the loss of nerve receptors in the ageing brain and potentially allowing for the regrowth of neural connections. P58 therefore provides a totally novel mode of action with potential importance for diseases associated with ageing of the brain. P58 is one of a family of phytochemicals (Cogane) isolated from traditional treatments for the elderly that have previously been shown to offer significant benefit in the treatment of senile dementia.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease, parkinson's disease and other neurodegenerative diseases.","Toxicity":"Trials showed that the drug has a good clinical safety profile and is well-tolerated.","MechanismOfAction":"Cogane(tm) (PYM50028/P58, p59, p63) is a novel non-peptide, orally bioavailable neurotrophic factor inducer that readily reverses free radical neurotoxicity produced by 1-ethyl-4- phenylpyridium (MPP+) in dopaminergic neurones and reverses the decrease of neuronal growth factors and dopamine receptors in the brain.","Pharmacodynamics":"Cogane(tm) (PYM50028/P58, p59, p63) is a novel non-peptide, orally bioavailable neurotrophic factor inducer that readily reverses free radical neurotoxicity produced by 1-ethyl-4- phenylpyridium (MPP+) in dopaminergic neurones and reverses the decrease of neuronal growth factors and dopamine receptors in the brain.\r\n\r\nP58 is a protein synthesis stimulant acts by restoring levels of proteins that are altered in the ageing brain, reversing the loss of nerve receptors in the ageing brain and potentially allowing for the regrowth of neural connections. P58 therefore provides a totally novel mode of action with potential importance for diseases associated with ageing of the brain. P58 is one of a family of phytochemicals (Cogane) isolated from traditional treatments for the elderly that have previously been shown to offer significant benefit in the treatment of senile dementia.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05451","Name":"P54","DrugType":"small molecule","HalfLife":"","Description":"P54 reduces the inflammation associated with cancer/tumors, Crohn's disease, inflammatory bowel disease, osteoarthritis, and ulcerative colitis. It inhibits the induction of the enzyme NFkB, thereby inhibiting downstream inflammatory genes such as COX II and iNOS.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), crohn's disease, inflammatory bowel disease, osteoarthritis, and ulcerative colitis.","Toxicity":"","MechanismOfAction":"P54 inhibits the induction of the enzyme NFkB, thereby inhibiting downstream inflammatory genes such as COX II and iNOS.","Pharmacodynamics":"P54 inhibits the induction of the enzyme NFkB, thereby inhibiting downstream inflammatory genes such as COX II and iNOS.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05452","Name":"PH-284","DrugType":"small molecule","HalfLife":"","Description":"PH-284 belongs to a new family of new chemical entities called vomeropherins. Vomeropherins are self-administered by the patient with a metered nasal spray, or nasal aerosol device so that they can bind to peripheral chemosensory receptors in the nasal passages. This binding produces neural impulses that are transmitted by specific pathways to the hypothalamic centre that directly and rapidly affect brain function. PH-284 is under investigation by Pherin and Organon for the treatment of anorexia nervosa, and loss of appetite and cachexia in cancer and AIDS patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in anorexia and other conditions causing harmful weight loss. The manufacturer suggests it could be relevant for treatment of weight loss and the associated symptoms-- i.e., lack of energy, decrease in appetite, physical wasting, vulnerability to toxicity, and sometimes reduced life expectancy-- in patients with eating disorders, patients with advanced cancer, patients with AIDS, and patients experiencing loss of appetite due to aging, acute illness, or pregnancy.","Toxicity":"","MechanismOfAction":"Vomeropherins bind to peripheral chemosensory receptors in the vomeronasal organ.","Pharmacodynamics":"Vomeropherins are self-administered by the patient with a metered nasal spray, or nasal aerosol device so that they can bind to peripheral chemosensory receptors in the nasal passages. This binding produces neural impulses that are transmitted by specific pathways to the hypothalamic centre that directly and rapidly affect brain function.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05454","Name":"SR 57667","DrugType":"small molecule","HalfLife":"","Description":"SR 57667 is an orally active neurotrophic, non-peptidic compound that activates synthesis of endogenous neurotrophines. Studies show that use of SR 57667 increased the rate of formation of both neural progenitors and mature neurons. It is indicated for use in Alzheimer's Disease and Parkinson’s.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in Alzheimer's disease and Parkinson's disease.","Toxicity":"","MechanismOfAction":"SR 57667 may be an irreversible MAOB inhibitor.","Pharmacodynamics":"SR 57667 is an orally active neurotrophic, non-peptidic compound that activates synthesis of endogenous neurotrophines. Studies show that use of SR 57667 increased the rate of formation of both neural progenitors and mature neurons. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05455","Name":"SR 121463","DrugType":"small molecule","HalfLife":"","Description":"SR 121463 is a nonpeptide aquaretic compound with potent selective antagonism of the vasopressin V2 (V1b) receptor subtype. It is a candidate for control of hyponatremia and in the treatment of syndrome of inappropriate secretion of anti-diuretic hormone (SIADH).\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders, in the treatment of syndrome of inappropriate secretion of anti-diuretic hormone (SIADH) and in hyponatremia. \r\n","Toxicity":"Phase 11b showed a good clinical safety profile.","MechanismOfAction":"Selectively antagonizes v1b receptors. ","Pharmacodynamics":"Increases urine volume through selective antagonism of V1b/V2 receptors. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05456","Name":"ETC-588","DrugType":"small molecule","HalfLife":"","Description":"ETC-588, or LUV (large unilamellar vesicles), is made of naturally occurring lipids that circulate through arteries to facilitate the role of high-density lipoprotein (HDL) in removing accumulated cholesterol and other lipids from cells including those in the arterial wall. LUV are capable of transporting excess cholesterol from the vasculature to the liver for eventual elimination as part of the reverse lipid transport (RLT) pathway. It is believed that the removal of cholesterol by ETC-588 through this pathway may result in the reversal of atherosclerosis. Esperion is currently developing ETC-588 as a treatment for patients with acute coronary syndromes.","Classification":{"Description":"This compound belongs to the phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.","DirectParent":"Phosphatidylcholines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphocholines"},"Indication":"Investigated for use/treatment in atherosclerosis, coronary artery disease, and vascular diseases.","Toxicity":"","MechanismOfAction":"ETC-588 is a phospholipid bilayer that can sequester cholesterol. Once the HDL particle, which is small enough to enter the arterial wall, pulls the cholesterol out of the plaque, it readily hands the cholesterol over to the LUV. The LUV then transports the cholesterol to the liver for processing. ","Pharmacodynamics":"ETC-588, or LUV (large unilamellar vesicles), is made of naturally occurring lipids that circulate through arteries to facilitate the role of high-density lipoprotein (HDL) in removing accumulated cholesterol and other lipids from cells including those in the arterial wall. LUV are capable of transporting excess cholesterol from the vasculature to the liver for eventual elimination as part of the reverse lipid transport (RLT) pathway.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05457","Name":"OSI-7904L","DrugType":"small molecule","HalfLife":"","Description":"OSI-7904L is a liposome encapsulated thymidylate synthase inhibitor, which is indicated for use in advanced gastric and/or gastroesophageal adenocarcinoma (A-G/GEJA). Current treatments also inhibit thymidylate synthase but the innovative lipid coating of OSI-7904L allows for more enduring results with administration of the TS inhibitor.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in gastric cancer.","Toxicity":"Acceptable clinical safety profile","MechanismOfAction":"Inhibits thymidylate synthase.","Pharmacodynamics":"OSI-7904L is a liposome encapsulated thymidylate synthase inhibitor, which is indicated for use in advanced gastric and/or gastroesophageal adenocarcinoma (A-G/GEJA). Current treatments also inhibit thymidylate synthase but the innovative lipid coating of OSI-7904L allows for more enduring results with administration of the TS inhibitor.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05458","Name":"ABT-089","DrugType":"small molecule","HalfLife":"","Description":"ABT-089 is a neuronal nicotinic acetylcholine receptor agonist that may have therapeutic utility for the treatment of several neurological disorders including Alzheimer, Attention Deficit Hyperactivity Disorder and Schizophrenia/Schizoaffective disorders. In radioligand binding studies, ABT-089 has shown selectivity toward the alpha4beta2 nAChR subtype as compared to the alpha7 and alpha1beta1deltagamma nAChR subtypes. Neuronal nicotinic acetylcholine receptors (nAChRs) modulate the release of several important neurotransmitters, such as acetylcholine and dopamine.","Classification":{"Description":"This compound belongs to the alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with formula R-O-R' , where R is an alkyl group and R' is an aryl group.","DirectParent":"Alkyl Aryl Ethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Alkyl Aryl Ethers"},"Indication":"Investigated for use/treatment in Alzheimer's disease, Attention Deficit/Hyperactivity Disorder (ADHD), and Schizophrenia and schizoaffective disorders.","Toxicity":"ABT-089 was shown to be well-tolerated in clinical trials.","MechanismOfAction":"ABT-089 is a neuronal nicotinic acetylcholine receptor agonist. In radioligand binding studies, ABT-089 has shown selectivity toward the alpha4beta2 nAChR subtype as compared to the alpha7 and alpha1beta1deltagamma nAChR subtypes. ","Pharmacodynamics":"ABT-089 is a neuronal nicotinic acetylcholine receptor agonist. Neuronal nicotinic acetylcholine receptors (nAChRs) modulate the release of several important neurotransmitters, such as acetylcholine and dopamine.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05459","Name":"ABT-874","DrugType":"biotech","HalfLife":"","Description":"ABT-874 is a human anti-IL-12 monoclonal antibody being developed for the treatment of a number of T-cell driven autoimmune diseases. It targets and neutralize interleukin-12 and interleukin-23, two proteins associated with inflammation, such as pro-inflammatory interleukins or tumor necrosis factor- alpha.\r\nABT-874 represents a novel approach to treating psoriasis, Multiple Sclerosis, Crohn’s Disease and other autoimmune and inflammatory disorders.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in autoimmune diseases, crohn's disease, multiple sclerosis, psoriasis and psoriatic disorders, and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"ABT-874 targets and neutralizes interleukin-12 and interleukin-23.","Pharmacodynamics":"ABT-874 is a human anti-IL-12 monoclonal antibody being developed for the treatment of a number of T-cell driven autoimmune diseases. It targets and neutralizes interleukin-12 and interleukin-23, two proteins associated with inflammation.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05460","Name":"TLK-199","DrugType":"small molecule","HalfLife":"","Description":"TLK-199 is investigated in clinical trials for treating myelodysplastic syndrome. TLK-199 is a solid. This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. This medication is known to target Glutathione S-transferase P. TLK-199 is a small molecule drug that is an analog inhibitor of glutathione S-transferase P1-1. It acts intracellularly on the MAPK signaling pathway by activating ERK2. TLK-199 has myelostimulant activity in preclinical rodent models and human bone marrow cultures, and differentiates granulocytes and monocytes in HL60 cells. TLK-199 is a candidate designed to stimulate the formation of bone marrow cells that are precursors to granulocytes and monocytes (white blood cells), erythrocytes (red blood cells) and platelets. Many conditions are characterized by depleted bone marrow, including myelodysplastic syndrome (MDS), a form of pre-leukemia in which the bone marrow produces insufficient levels of one or more of the 3 major blood elements (white blood cells, red blood cells and platelets). It might also be relevant as an adjunct therapy since a reduction in blood cell levels is also a common, toxic effect of many standard chemotherapeutic drugs.","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in myelodysplastic syndrome.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05461","Name":"OPC-28326","DrugType":"small molecule","HalfLife":"","Description":"At low doses, OPC 28326 selectively vasodilates the femoral arterial bed due to its inhibitory action at alpha-2-adrenoceptors while having minimal action on systemic blood pressure, heart rate and coronary, carotid, vertebral, renal, and mesenteric blood flows. It is the only clinical compound with this profile. It is currently being investigated in the treatment of peripheral vascular diseases and Raynaud's syndrome.","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"Investigated for use/treatment in peripheral vascular disease and raynaud's disease.","Toxicity":"10 mg and 40 mg was well tolerated during clinical trials with Raynaud's patients","MechanismOfAction":"At low doses, OPC 28326 selectively vasodilates the femoral arterial bed due to its inhibitory action at alpha-2C-adrenoceptors. Other studies have also reported selectivity for a-2B-adrenoceptors.","Pharmacodynamics":"At low doses, OPC 28326 selectively vasodilates the femoral arterial bed due to its inhibitory action at alpha-2-adrenoceptors while having minimal action on systemic blood pressure, heart rate and coronary, carotid, vertebral, renal, and mesenteric blood flows.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05462","Name":"131-I-TM-601","DrugType":"small molecule","HalfLife":"","Description":"131-I-TM-601 is investigated in clinical trials for treating brain cancer. 131-I-TM-601 is a solid. Tx binds to and reduces the activity of a matrix metalloproteinase (MMP) that regulates functioning of the chloride channels on cell membranes. TM-601 is a small 36-amino-acid peptide that selectively binds to glioma cells but not normal brain parenchyma. It is a synthetic version of a neurotoxin isolated from the venom of the Giant Yellow Israeli scorpion Leiurus quinquestriatus. The synthetic version of this peptide has been manufactured and covalently linked to iodine 131 ((131)I-TM-601) as a means of targeting radiation to tumor cells in the treatment of brain cancer. The selective effects of TM-601 are regulated by its action on MMP2 receptors.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Investigated for use/treatment in various forms of brain cancer; Malignant Glioma, Glioblastoma Multiforme, GBM, Anaplastic Astrocytoma, Oligo-Astrocytoma, Gliosarcoma","Toxicity":"Found safe in clinical trials.","MechanismOfAction":"TX binds to and reduces the activity of a matrix metalloproteinase (MMP) that is regulates functioning of the chloride channels on cell membranes. CTX reduced the migration ability of glioma cells through tight extracellular spaces in the brain tissue by inhibition of the MMP2, because this prevented the cells from shrinking and releasing from the extracellular matrix.","Pharmacodynamics":"As a synthetic version of a neurotoxin isolated from the venom of the Giant Yellow Israeli scorpion Leiurus Quinquestriatus, TM-601 is a small 36 amino acid peptide that has been manufactured and covalently linked to iodine 131 ((131)I-TM-601). Its unique binding to gliomal cells makes it a unique means of targeting radiation to tumor cells in the treatment of brain cancer.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05463","Name":"ISS-1018","DrugType":"small molecule","HalfLife":"","Description":"ISS 1018 is a short, synthetic, unmethylated CpG oligodeoxynucleotide (CpG ODN) with immunostimulatory activity. ISS 1018 signals through Toll-like receptor 9 (TLR9) to induce the production of immunoglobulin by B cells and interferon (IFN) -alpha, IFN-beta, interleukin-12 (IL-12), and tumor necrosis factor - alpha (TNF-alpha) by plasmacytoid dendritic cells (pDC). ISS 1018 CpG ODN promotes antigen presentation and co-stimulatory molecule expression. ISS 1018 is currently being investigated in combination with HBsAg vaccine as a prophylactic treatment for to prevent Hepatitis B in adults. It is also being investigated in combination with rituximab for treatment of b-cell or non-hodgkin's lymphoma.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in colorectal cancer, hepatitis (viral, B), and lymphoma (non-hodgkin's).\r\nISS 1018 is currently being investigated in combination with HBsAg vaccine as a prophylactic treatment for to prevent Hepatitis B in adults. It has also been investigated in combination with rituximab for treatment of b-cell or non-hodgkin's lymphoma.","Toxicity":"","MechanismOfAction":"ISS 1018 signals through Toll-like receptor 9 (TLR9) to induce the production of immunoglobulin by B cells and interferon (IFN) -alpha, IFN-beta, interleukin-12 (IL-12), and tumor necrosis factor - alpha (TNF-alpha) by plasmacytoid dendritic cells (pDC). pDC and IFN-alpha and -beta then induce natural killer (NK) cell proliferation, NK cell production of IFN-gamma, and NK cell-mediated cytotoxicity. Secreted IFNs also stimulate bystander T cell activation and differentiation of naive CD4+ T cells into T-helper 1 cells on specific antigen challenge.","Pharmacodynamics":"ISS 1018 is a short, synthetic CpG oligodeoxynucleotide (CpG ODN) with immunostimulatory activity. ISS 1018 is an unmethylated CpG motifs in which regions of genomic DNA containing the cytosine-guanine dinucleotide does not show methylation of cytosine. ISS 1018 signals through Toll-like receptor 9 (TLR9) to induce the production of immunoglobulin by B cells and interferon (IFN) -alpha, IFN-beta, interleukin-12 (IL-12), and tumor necrosis factor - alpha (TNF-alpha) by plasmacytoid dendritic cells (pDC). ISS 1018 CpG ODN also promotes antigen presentation and co-stimulatory molecule expression. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05464","Name":"NOX-700","DrugType":"small molecule","HalfLife":"","Description":"NOX-700, an new orally active dithiocarbamate-based nitric oxide (NO) blocking agent that is in development for the treatment of diabetes mellitus (type 2 diabetes). In animal studies, NOX-700 lowered serum glucose, improved glucose tolerance, and reduced the percentage of total glycated hemoglobin. Immunohistochemical studies on\r\npancreatic tissue also showed that NOX-700 therapy effectively preserved islet structure and increased insulin immunoreactivity. It has since been found that oxidative signaling of the redox-sensitive transcription factor, NF-κB, and inhibiting protein glycation are responsible for the drug's therapeutic effects.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus (type 2).","Toxicity":"","MechanismOfAction":"It has been found that oxidative signaling of the redox-sensitive transcription factor, NF-κB, and inhibiting protein glycation are responsible for the drug's therapeutic effects.","Pharmacodynamics":"NOX-700 is an orally active nitric oxide (NO) blocking agent in development for the treatment of diabetes mellitus (type 2). In animal studies, NOX-700 lowered serum glucose, improved glucose tolerance, and reduced the percentage of total glycated hemoglobin. Immunohistochemical studies on\r\npancreatic tissue also showed that NOX-700 therapy effectively preserved islet structure and increased insulin immunoreactivity. It has since been found that oxidative signaling of the redox-sensitive transcription factor, NF-κB, and inhibiting protein glycation are responsible for the drug's therapeutic effects.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05465","Name":"MLN-518","DrugType":"small molecule","HalfLife":"","Description":"MLN518 is a novel, oral, small molecule designed to inhibit type III receptor tyrosine kinases, including FLT3, (platelet-derived growth-factor receptor) PDGFR and c-KIT. Tyrosine kinases are enzymes involved in several cellular processes and are known to be activated in cancer cells to drive tumor growth. AML patients with FLT3 mutations experience earlier disease relapse and shorter survival rates compared to patients without these mutations. Approximately 25 to 30 percent of all adult AML patients have a mutation of the FLT3 gene. The use of MLN518 to treat AML has been granted fast-track status by the U.S. Food and Drug Administration. Phase I/II trials are underway.\r\n","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"Investigated for use/treatment in leukemia (myeloid).","Toxicity":"","MechanismOfAction":"MLN518 inhibits tyrosine kinases; Specifically, it is selective for FLT3, KIT, and platelet-derived growth-factor receptor (PDGFR).","Pharmacodynamics":"MLN518 is a novel quinazoline-based small molecule inhibitor of the FLT3, KIT, and platelet-derived growth-factor receptor (PDGFR) tyrosine kinases with that has been shown to have great efficacy in murine models of FLT3 ITD-positive leukemia. Experiments with mice demonstrate that at effective concentrations, MLN518 has mild toxicity toward normal hematopoiesis for FLT3 ITD-positive leukemia. MLN518 has also been shown to preferentially inhibit the growth of blast colonies from FLT3 ITD-positive as compared to ITD-negative patients with AML, without significantly affecting colony formation by normal human progenitor cells. \r\n\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05466","Name":"R673","DrugType":"small molecule","HalfLife":"","Description":"R673 is a novel NK1 antagonist that penetrates the blood-brain barrier, has excellent safety and tolerability and shows low P450-based drug interaction potential. The phase II program for treatment of depression and anxiety is ongoing in the US and EU.It is not clear how tachykinin antagonists exert their effect, but SP levels have been commonly linked to the functioning of limbic system with respect to anxiety and depression.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in depression and anxiety.","Toxicity":"","MechanismOfAction":"R673 is a novel NK1 antagonist that penetrates the blood-brain barrier, has excellent safety and tolerability and shows low P450-based drug interaction potential. It is not clear how tachykinin antagonists exert their effect, but SP levels have been commonly linked to the functioning of limbic system with respect to anxiety and depression.","Pharmacodynamics":"R673 is a novel NK1 antagonist that penetrates the blood-brain barrier, has excellent safety and tolerability and shows low P450-based drug interaction potential. It is not clear how tachykinin antagonists exert their effect, but SP levels have been commonly linked to the functioning of limbic system with respect to anxiety and depression.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05467","Name":"R667","DrugType":"small molecule","HalfLife":"","Description":"R667 is an orally active, gamma selective retinoid agonist that shows promise as a treatment for emhysema, as it has, in animal models, promoted structural lung repair and functional improvement with fewer side effects. It is currently in Phase II Trials for emphysema secondary to alpha-1 antitrypsin\r\ndeficiency.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in emphysema.","Toxicity":"Well tolerated in patients with emphysema. no safety concerns have been identified.","MechanismOfAction":"Gamma-selective retinoic acid receptor agonist.","Pharmacodynamics":"R667 is an orally active, gamma selective retinoid agonist that shows promise as a treatment for emhysema.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05468","Name":"R411","DrugType":"small molecule","HalfLife":"","Description":"R411 is a non-steroid oral medicine for the treatment of asthma. It is not immunosuppressive, but blocks the activation and recruitment of cells involved in respiratory inflammation. It is a dual-acting competitive integrin antagonist (as compared to previously developed single integrin antagonists or SIAs) that prevents binding of V-CAM1 to either a4b1 or a4b7. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma.","Toxicity":"Good safety profile observed in preclinical and clinical\r\nstudies","MechanismOfAction":"R411 prevents binding of V-CAM1 to either a4b1 or a4b7. ","Pharmacodynamics":"R411 is a non-steroid oral medicine for the treatment of asthma. It is not immunosuppressive, but blocks the activation and recruitment of cells involved in respiratory inflammation. It is a dual-acting competitive integrin antagonist (as compared to previously developed single integrin antagonists or SIAs) that prevents binding of V-CAM1 to either a4b1 or a4b7. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05469","Name":"R450","DrugType":"small molecule","HalfLife":"","Description":"R450 is an alpha 1 antagonist that acts to tighten the muscle tone in the bladder. It is being considered for treatment of stress-related urinary incontinence. Phase IIa data for the drug show it reduced the number of incontinent episodes compared to placebo with minimal cardiovascular effects.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in urinary incontinence.","Toxicity":"","MechanismOfAction":"R450 is a selective alpha 1 adrenoreceptor antagonist. Research on the management of urinary incontinence suggests that it is most likely an antagonist at alpha-1B and alpha-1D, while it acts as an agonist on alpha-1a.","Pharmacodynamics":"R450 is an alpha 1 adrenoreceptor antagonist that acts to tighten the muscle tone in the bladder. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05470","Name":"VX-702","DrugType":"small molecule","HalfLife":"","Description":"VX-702 is a small molecule investigational oral anti-cytokine therapy for treatment of inflammatory diseases, specifically rheumatoid arthritis (RA). It acts as a p38 MAP kinase inhibitor. In the future, VX-702 may be investigated for combination with methotrexate, a commonly used therapy for RA. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in coronary artery disease, inflammatory disorders (unspecified), and rheumatoid arthritis.","Toxicity":"good tolerability with three months of treatment, ","MechanismOfAction":"This p38 MAP kinase inhibitor effectively inhibits LPS-stimulated TNF|[alpha]|, IL-6 and IL-1|[beta]| production.","Pharmacodynamics":"VX-703 is an anti-cytokine therapy in which p38 MAP kinase inhibitor effectively inhibits LPS-stimulated TNF|[alpha]|, IL-6 and IL-1|[beta]| production.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05471","Name":"SGN-30","DrugType":"biotech","HalfLife":"","Description":"SGN-30 is an engineered monoclonal antibody (mAb) that reacts with significant affinity to the CD30 antigen, which is highly expressed on a variety of hematologic malignancies as compared to on normal cells. SGN-30 has been shown to induce direct anti-cancer activity towards tumor cells expressing CD30 and is undergoing phase II trials for cancer therapy. SGN-30 has demonstrated objective antitumor responses as a single agent in phase II clinical trials. We are collaborating with the National Cancer Institute (NCI) on three clinical trials of SGN-30 in combination with chemotherapy for the treatment of relapsed Hodgkin lymphoma, front-line ALCL and pediatric ALCL.\r\n\r\nSGN-30 received orphan drug designation from the FDA in July 2003 for Hodgkin lymphoma and in February 2004 for T-cell lymphomas. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in autoimmune diseases, cancer/tumors (unspecified), lymphoma (non-hodgkin's), and lymphoma (unspecified).","Toxicity":"","MechanismOfAction":"Through investigation of the mechanisms underlying SGN-30's antitumor activity, SGN-30 treatment was found to activate NF-kappaB and modulation of several messages including the growth regulator p21WAF1/CIP1 (p21) and cellular adhesion marker ICAM-1. p21 protein level changes are believed to be associated with arresting cell growth. ","Pharmacodynamics":"SGN-30, a monoclonal antibody with activity against CD30+ malignancies. Through investigation of the mechanisms underlying SGN-30's antitumor activity, SGN-30 treatment was found to activate NF-kappaB and modulation of several messages including the growth regulator p21WAF1/CIP1 (p21) and cellular adhesion marker ICAM-1. p21 protein level changes are believed to be associated with arresting cell growth. \r\n\r\nIn addition to directly killing cancerous cells, SGN-30 affects growth arrest and drug sensitization through growth regulating and proapoptotic machinery. SGN-30 could therefore be used to increase the efficacy of standard chemotherapies used to treat patients with CD30+ malignancies.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05472","Name":"omega interferon","DrugType":"small molecule","HalfLife":"","Description":"Human interferon omega 1 (IFN-omega 1 = IFN-alpha II1) is a recently discovered protein structurally related to IFN-alpha and -beta. It occurs naturally in the human body and is currently being manufactured by Intarcia through genetic engineering. There are multiple routes for administration of omega interferon: injection, an implantable subcutaneous drug delivery system, and an oral formulation. It has been investigated both in single and combination treatment. The biological activities of IFN-omega 1 and its physiological role are not known to date. \r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"Clinical trial results suggested a favorable overall safety profile for interferon omega.","MechanismOfAction":"Independent studies demonstrate that interferon omega binds to the alpha/beta receptor, but not the interferon gamma receptor.","Pharmacodynamics":"Human interferon omega 1 (IFN-omega 1 = IFN-alpha II1) is a recently discovered protein structurally related to IFN-alpha and -beta. It occurs naturally in the human body and is currently being manufactured by Intarcia through genetic engineering. The biological activities of IFN-omega 1 and its physiological role are not known to date. \r\n\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05473","Name":"QR-334","DrugType":"small molecule","HalfLife":"","Description":"QR-334 is under investigation for the treatment of sialorrhea. Sialorrhea is an excess secretion of saliva produced by the salivary glands, resulting in drooling. No pharmaceutical interventions currently exist to treat sialorrhea. The symptom is associated with many diseases including Amyotrophic Lateral Sclerosis (ALS), also known as Lou Gehrig’s Disease, Cerebral Palsy, Parkinson's Disease, and Muscular Dystrophy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in saliva and salivary gland dysfunction (sialorrhea).","Toxicity":"","MechanismOfAction":"unknown.","Pharmacodynamics":"unknown.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05474","Name":"T487","DrugType":"small molecule","HalfLife":"","Description":"T487 is a small molecule chemokine receptor antagonist to correct or modify immune system responses. It binds selectively and potently to CXCR3. The formulation is administered orally and has anti-inflammatory effects in conditions such as rheumatoid arthritis, inflammatory bowel disease and psoriasis.\r\n\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in inflammatory disorders \r\nsuch as rheumatoid arthritis, inflammatory bowel disease and psoriasis.","Toxicity":"Well-tolerated in clinical trials for psorasis.","MechanismOfAction":"T487 binds selectively and potently to CXCR3. ","Pharmacodynamics":"T487 is a small molecule chemokine receptor antagonist to correct or modify immune system responses. It binds selectively and potently to CXCR3. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05475","Name":"SCV-07","DrugType":"small molecule","HalfLife":"","Description":"SCV-07 (g -D-glutamyl-L-tryptophan) is a novel synthetic dipeptide that acts broadly on the Toll-like receptor pathway. It has been shown to stimulate T-lymphocyte differentiation, macrocytic phagocytosis, and specific immune responses, and enhance IL-2 and INF-g production. Due to this preferential activation of Th1 cytokine production, SCV-07 may show utility in treatment of tuberculosis. It can be administered orally or subcutaneously. In independent studies, treatment of tuberculosis with SCV-07 improved clearance of mycobacteria, improved cavity healing, improvements in immune parameters and reduced symptoms (fever, weakness, sweating, dry cough, productive cough, dyspnea, chest pain, tachycardia) without any adverse local or general effects. SCV-07 has shown efficacy in treating various viral and bacterial infections. \r\n","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hepatitis (viral, C), infectious and parasitic disease (unspecified), and tuberculosis.","Toxicity":"No adverse effects were observed in any patients participating in clinical trials.","MechanismOfAction":"SCV-07 (g -D-glutamyl-L-tryptophan) has broad effects on the Toll-like receptor (TLR) pathway. ","Pharmacodynamics":"SCV-07 (g -D-glutamyl-L-tryptophan) is a novel synthetic dipeptide that acts broadly on the Toll-like receptor pathway. It has been shown to stimulate T-lymphocyte differentiation, macrocytic phagocytosis, and specific immune responses, and enhance IL-2 and INF-g production. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05476","Name":"WX-UK1","DrugType":"small molecule","HalfLife":"","Description":"WX-UK1 is a 3-amidinophenylalanine-based non-cytotoxic small molecule that belongs to a new class of drugs. In animal models, WX-UK1 blocks tumor cell invasion, metastasis and primary tumor growth by inhibiting serine proteases and the urokinase Plasminogen Activator (uPA) system, which have been shown to play a key role in metastasis and primary tumor growth of breast, gastric, colon cancer, and various other solid tumors. Independent studies show that administration of Wx-UK1 resulted in a decrease of tumor cell invasion, suggesting its efficacy as a an adjuvant antimetastatic therapy of carcinomas. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"Activity at urokinase plasminogen activator receptors (uPAR) results in inhibition of uPA system. ","Pharmacodynamics":"WX-UK1 is a 3-amidinophenylalanine-based non-cytotoxic small molecule that belongs to a new class of drugs. In animal models, WX-UK1 blocks tumor cell invasion, metastasis and primary tumor growth by inhibiting serine proteases and the urokinase Plasminogen Activator (uPA) system, which have been shown to play a key role in metastasis and primary tumor growth of breast, gastric, colon cancer, and various other solid tumors. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05477","Name":"Dendritic cell therapy","DrugType":"biotech","HalfLife":"","Description":"Dendritic Cell (DC) Therapy is a newly emerging and potent form of immune therapy that amplifies the actions of the body's own immune system to help fight cancer, AIDS and other serious conditions. The Dendritic Cell is an immune cell whose role is the recognition, processing and presentation of foreign antigens to the T-cells to initiate a primary response in the effector arm of the immune system. Dendritic cells not only activate lymphocytes to induce the immune response, but they also minimize autoimmune reactions by downplaying self-antigens to stimulated T-cells. Dendritic Cell Therapy involves the harvesting of blood cells (ie monocytes or macrophages) from a patient and processing them in the laboratory to produce a greater than typical Dendritic Cell concentration. These cells are then given back to a patient as a vaccine in order to allow for a potent immune response to cancer.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and ovarian cancer.","Toxicity":"","MechanismOfAction":"Use of increased concentration of dendritic cells to amplify immune responses to cancer.","Pharmacodynamics":"The Dendritic Cell is an immune cell whose role is the recognition, processing and presentation of foreign antigens to the T-cells to initiate a primary response in the effector arm of the immune system. Dendritic Cell Therapy involves the harvesting of blood cells (ie monocytes or macrophages) from a patient and processing them in the laboratory to produce a greater than typical Dendritic Cell concentration. These cells are then given back to a patient as a vaccine in order to allow for a potent immune response to cancer. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05478","Name":"pradefovir mesylate","DrugType":"small molecule","HalfLife":"","Description":"\r\nPradefovir mesilate (previously known as MB-06886, Hepavir B and remofovir mesylate) is an orally administered small molecule compound that belongs to a novel series of phosphate and phosphonate prodrugs of adefovir. Adefovir (Hepsera) is an acyclic phosphonate analogue of adenine that is used to treat hepatitis B virus. As adefovir is poorly absorbed and associated with a high level of nephrotoxicity, pradefovir mesilate was designed to specifically target the liver and reduce risks to external tissue, especially the kidneys, while improving results of adefovir.\r\nPradefovir is activated through oxidation that is mediated by cytochrome P-450 (CYP) 3A4, which is predominantly expressed in the liver. The novel prodrug is highly stable in both plasma and tissues and demonstrated potent preclinical and clinical anti-HBV activity. Pradefovir is undergoing phase II development for the treatment of chronic hepatitis B.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use as a prodrug for Hepsera in treating hepatitis (viral, B).","Toxicity":"Good safety profile.","MechanismOfAction":"\r\nPradefovir is activated through oxidation that is mediated by cytochrome P-450 (CYP) 3A4, which is predominantly expressed in the liver. In this way, it allows for increased Hepsera concentrations selectively in the liver. \r\n","Pharmacodynamics":"\r\nPradefovir is activated through oxidation that is mediated by cytochrome P-450 (CYP) 3A4, which is predominantly expressed in the liver. Accordingly, pradefovir allows Hepsera to be concentrated in the liver, while maintaining lower concentration levels in other tissue. The novel prodrug is an orally administered small molecule compound that belongs to a novel series of phosphate and phosphonate drugs. It is highly stable in both plasma and tissues.\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05479","Name":"CZEN 002","DrugType":"small molecule","HalfLife":"","Description":"CZEN-002 is a novel, non-azole anti-fungal synthetic octapeptide, derived from alpha-Melanocyte-Stimulating Hormone (a-MSH). CZEN-002 modulates inflammatory and immune responses. It has also been shown to kill Candida albicans (C. albicans), a single-celled fungal organism that causes a variety of infections, including vaginitis. This organism can invade tissues and produce fatal infections in individuals with compromised immune systems such as those suffering from HIV/AIDS or undergoing organ or bone transplants. The antimicrobial activity of CZEN-002 is unique in that it does not depend on direct damage to the microbial membrane. It appears that CZEN-002 works on a receptor in yeast that has yet to be identified. \r\n\r\nStudies attempting to understand the candidacidal activity of derivatives of alpha-MSH have focused on the alpha-MSH amino acid sequence (6-13), which contains the invariant core sequence His-Phe-Arg-Trp (6-9) that is important for binding to the known melanocortin receptors. A second focus was on the sequence Lys-Pro-Val (11-13) that is known to be important for antimicrobial activity. \r\n","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in candidiasis and vaginitis.","Toxicity":"","MechanismOfAction":"The antimicrobial activity of CZEN-002 is unique in that it does not depend on direct damage to the microbial membrane. It appears that CZEN-002 works on a receptor in yeast that has yet to be identified. \r\n\r\nStudies attempting to understand the candidacidal activity of derivatives of alpha-MSH have focused on the alpha-MSH amino acid sequence (6-13), which contains the invariant core sequence His-Phe-Arg-Trp (6-9) that is important for binding to the known melanocortin receptors. A second focus was on the sequence Lys-Pro-Val (11-13) that is known to be important for antimicrobial activity. \r\n","Pharmacodynamics":"CZEN-002 is a novel, non-azole anti-fungal synthetic octapeptide, derived from alpha-Melanocyte-Stimulating Hormone (a-MSH). CZEN-002 modulates inflammatory and immune responses. It has also been shown to kill Candida albicans (C. albicans). The antimicrobial activity of CZEN-002 is unique in that it does not depend on direct damage to the microbial membrane. It appears that CZEN-002 works on a receptor in yeast that has yet to be identified. \r\n\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05480","Name":"PBI-1402","DrugType":"small molecule","HalfLife":"","Description":"PBI-1402 is a small molecule synthetic compound with oral\r\nBioavailability. The compound activates neutrophils, enhancing their survival and activation with comparable efficacy to GM-CSF, G-CSF and EPO, which are currently used to treat anemia. However, it has been shown that when co-administered with these compounds, effects are additive, making PBI-1402 an excellent candidate for combination therapy and asserting its independent mechanism of action. PBI-1402 appears to work on the PMN pathway, but its specific binding properties are not known. PBI-1402 has a dual therapeutic action; as a chemoprotectant and hematopoietic progenitor stimulator. Since it stimulates immune activity, it has been considered as a candidate for cancer treatment as well as anemia.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy), anemia, and chemotherapy.","Toxicity":"","MechanismOfAction":"PBI-1402 activates neutrophils, enhancing their survival and activation with comparable efficacy to GM-CSF, G-CSF and EPO, which are currently used to treat anemia. However, it has been shown that when co-administered with these compounds, effects are additive, making PBI-1402 an excellent candidate for combination therapy and asserting its independent mechanism of action. PBI-1402 appears to work on the PMN pathway, but its specific binding properties are not known.","Pharmacodynamics":"PBI-1402 is a small molecule synthetic compound with oral\r\nBioavailability. The compound activates neutrophils, enhancing their survival and activation with comparable efficacy to GM-CSF, G-CSF and EPO, which are currently used to treat anemia. PBI-1402 has a dual therapeutic action; as a chemoprotectant and hematopoietic progenitor stimulator. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05481","Name":"Recombinant alpha 1-antitrypsin","DrugType":"small molecule","HalfLife":"","Description":"Alpha 1-antitrypsin is a glycoprotein primarily produced by hepatocytes, and to a lesser extent, immune system cells. Recombinant alpha 1-antitrypsin (rAAT) is produced from yeast, which unlike commercially available forms of plasma-derived AAT, eliminates the risk associated with blood-borne infectious agents and allows for a increased manufacturing. rAAT belongs to a family of structurally-related proteins classified as serine protease inhibitors or SERPINS, which are known to inhibit several proteases including trypsin, cathepsin G, thrombin, tissue kallikrein, as well as neutrophil elastase. The proteinase/antiproteinase balance is believed to be important for maintaining healthy skin. The rAAT topical gel (Dermolastin™) is indicated for patients with atopic dermatitis and psoriasis. The company has indicated that other formulations for gastroenterological and urological indications will also be developed.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alpha 1 antitrypsin deficiency, atopic dermatitis, and chronic obstructive pulmonary disease (COPD).","Toxicity":"Well tolerated in clinical trials.","MechanismOfAction":"rAAT belongs to a family of structurally-related proteins classified as serine protease inhibitors or SERPINS, which are known to inhibit several proteases including trypsin, cathepsin G, thrombin, tissue kallikrein, as well as neutrophil elastase.","Pharmacodynamics":"Alpha 1-antitrypsin is a glycoprotein primarily produced by hepatocytes, and to a lesser extent, immune system cells. Recombinant alpha 1-antitrypsin (rAAT) is produced from yeast, which unlike commercially available forms of plasma-derived AAT, eliminates the risk associated with blood-borne infectious agents and allows for a increased manufacturing. rAAT belongs to a family of structurally-related proteins classified as serine protease inhibitors or SERPINS, which are known to inhibit several proteases including trypsin, cathepsin G, thrombin, tissue kallikrein, as well as neutrophil elastase. The proteinase/antiproteinase balance is believed to be important for maintaining healthy skin. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05482","Name":"LE-SN38","DrugType":"small molecule","HalfLife":"","Description":"LE-SN38 is NeoPharm's NeoLipid liposomal formulation of SN-38, the active metabolite of irinotecan (Camptosar), a chemotherapeutic pro-drug approved for the treatment of advanced colorectal cancer. \r\n\r\nLE-SN38 is the Company's NeoLipid(R) Liposomal formulation of SN-38, the active, but poorly soluble, metabolite of Camptosar(R), a chemotherapeutic pro-drug, which is used as a first-line and second-line treatment for advanced colorectal cancer. A pro-drug is a compound that is converted into the active drug in the body. However, Camptosar(R) is converted into SN-38 in colorectal cancer cells at different rates in different patients, and this variability in conversion rates may result in suboptimal treatment. By employing the Company's proprietary NeoLipid(R) technology to directly deliver SN-38, the Company hopes to minimize treatment variability.\r\n\r\nA Phase I clinical trial was completed in 2005 and showed the potential for decreased side effects, particularly diarrhea, compared to published results of Camptosar(R). The results of that trial were presented at the American Society of Clinical Oncology (ASCO) meeting in June 2005, and were used to determine the Phase II study dose.\r\n","Classification":{"Description":"This compound belongs to the camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).","DirectParent":"Camptothecins","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Camptothecins","SubClass":""},"Indication":"Investigated for use/treatment in colorectal cancer.","Toxicity":"","MechanismOfAction":"The entrapment of SN-38 in lipsomes results in a more stable and more soluble form of the drug. This allows for increased affinity of SN-38 to lipid membranes and improved delivery of the drug to tumor sites. SN-38 is a highly effective cytotoxic topoisomerase I inhibitor. ","Pharmacodynamics":"SN-38 (7-ethyl-10-hydroxycamptothecin) is the active metabolite of Irinotecan (CPT-11). Irinotecan is a topoisomerase I inhibitor commercially available as Camptosar®. SN-38 has been found to be 200–2000 times more cytotoxic than CPT-11, but has not been used as an anticancer drug due to its poor solubility in pharmaceutically acceptable solvents and low affinity to lipid membranes. SN-38 also undergoes a reversible conversion to an inactive open lactone ring structure at physiological pH. LE-SN-38 is a novel lipsome based formulation containing liposomes of uniform size distribution (\u003c200 nm). Drug entrapment efficiency of the formulation is\u003e95%.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05483","Name":"PCL-016","DrugType":"small molecule","HalfLife":"","Description":"PCL-016 or Picolinic acid drug substance is a pyridine carboxylate metabolite of tryptophan. It acts as an anti-infective and immunomodulator and is produced in approximately 25-50 mg quantities by the body on a daily basis through the breakdown of tryptophan. PCL-016 plays a key role in zinc transport. As a therapeutic agent, the molecule works by binding to zinc finger proteins (ZFPs) in a way that changes their structures and disrupts zinc binding, inhibiting function. ZFPs are involved in viral replication and packaging as well as normal cell homeostatic functions. Picolinic acid has been shown to be an anti-viral in vitro and in vivo, and sometimes works in conjunction with other cytokines such as interferon gamma to affect immune responses. Acne vulgaris, herpes and other viral infections therefore pose potential therapeutic targets of PCL-016.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in acne, herpes labialis infections (cold sores), and venereal disease.","Toxicity":"","MechanismOfAction":"As a therapeutic agent, the molecule works by binding to zinc finger proteins (ZFPs) in a way that changes their structures and disrupts zinc binding, inhibiting function. ","Pharmacodynamics":"PCL-016 or Picolinic acid drug substance is a pyridine carboxylate metabolite of tryptophan. It acts as an anti-infective and immunomodulator through its role in zinc transport. ZFPs are involved in viral replication and packaging as well as normal cell homeostatic functions. Picolinic acid has been shown to be an anti-viral in vitro and in vivo.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05484","Name":"MDX-018","DrugType":"small molecule","HalfLife":"","Description":"MDX-018, also known as HuMax-Inflam, is a fully human antibody that is directed to IL-8 (interleukin-8) and may have potential application in oncology and inflammation. Trials will initially focus on studies to treat glioblastoma, a cancer of the central nervous system. Other possible indications include chronic obstructive pulmonary disease (COPD) and pustular dermatoses. In pre-clinical studies, HuMax-Inflam has been shown to inhibit tumor growth in tumor models using primary human tumors in immunodeficient mice. HuMax-Inflam was also effective in reducing disease activity in palmoplantar pustulosis patients in a clinical study.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in autoimmune diseases and inflammatory disorders (unspecified).","Toxicity":"","MechanismOfAction":"he drug inhibits tumour growth by targetting interleukin-8 (IL-8), a major inflammation mediator.","Pharmacodynamics":"MDX-018 is a fully human anti-inflammatory antibody for the treatment of Autoimmune Disease. The drug inhibits tumour growth by targetting interleukin-8 (IL-8), a major inflammation mediator. It reduces disease activity in palmoplantar pustulosis patients and is also effective in the treatment of glioblastoma, which has a very low survival rate.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05485","Name":"ADH-1","DrugType":"biotech","HalfLife":"","Description":"Adherex's biotechnology compound, ADH-1, targets N-cadherin, a protein present on certain tumor cells and established tumor blood vessels. ADH-1 is currently in clinical development in a combination program with a range of chemotherapeutic agents to investigate the synergistic effects noted in our preclinical models. At the end of 2006, the Company also completed patient enrollment in our single-agent Phase Ib/II and Phase II trials of ADH-1.\r\n\r\n\r\nCadherins are cell adhesion and cell signaling molecules crucial to the development of tissues, organs and organisms. Agents that target and inhibit cadherin function have the potential to attack the progression of cancer at two distinct points:\r\n\r\n * Direct targeting of cadherins expressed on cancer cells may disturb cadherin-mediated signaling, leading to apoptosis (death) of cancer cells.\r\n * Cadherin inhibitors may exploit the inherent structural weaknesses of the tumor vasculature, causing angiolysis (disruption of blood vessels) and tumor damage.\r\n\r\nAs many tumors become more aggressive, invasive, and malignant, researchers have found that N-cadherin is expressed in greater amounts, making it an important target for developing anti-cancer treatments.\r\n\r\nPoorly differentiated, highly invasive carcinomas are characterized by over-expression of N-cadherin (as opposed to E-cadherin). This change in primary cadherin expression causes the epithelial cells to lose their tightly adherent, polarized and well-defined shape and become loosely adherent, flattened and migratory. Such cadherin switching promotes properties such as dedifferentiation, local invasion and metastasis, leading to poor prognosis.\r\n\r\nADH-1 may have utility in a wide variety of cancers as N-cadherin is overexpressed in a variety of tumors. As tumors progress to become higher grade, invasive and more metastatic, the frequency of N-cadherin expression generally rises.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in breast cancer, cancer/tumors (unspecified), melanoma, ovarian cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"While ADH-1 has a single molecular target, N-cadherin, we believe its anti-cancer effect results from two distinct mechanisms of action - apoptosis and tumor vessel angiolysis.\r\n\r\nN-cadherin appears to act as a tumor cell survival factor. In cell culture studies, inhibition of N-cadherin binding between tumor cells has been shown to cause apoptosis of tumor cells, we believe as a result of disrupting the cadherin-regulated cell survival signals.\r\n\r\nADH-1 also appears to disrupt the blood vessels needed for cancerous tumors to grow and flourish, with hemorrhaging having been noted in both our clinical and preclinical studies. We believe the mechanism for this disruption is either a competitive inhibition of the binding of cadherins between the endothelial cells of the tumor blood wall or apoptosis in tumor cells that form a part of the blood vessel wall, each leading to leakage and rupture of these vessels. The latter involves the phenomenon of tumor \"mosaicism,\" in which tumor cells form a portion of the vascular wall (along with the endothelial cells). Induction of cell death of these tumor cells would result in tumor vascular disruption.\r\n","Pharmacodynamics":"ADH-1 is a biotech compounds that targets N-cadherin, a protein present on certain tumor cells and established tumor blood vessels. Cadherins are cell adhesion and cell signaling molecules crucial to the development of tissues, organs and organisms. Agents that target and inhibit cadherin function have the potential to attack the progression of cancer at two distinct points:\r\n\r\n * Direct targeting of cadherins expressed on cancer cells may disturb cadherin-mediated signaling, leading to apoptosis (death) of cancer cells.\r\n * Cadherin inhibitors may exploit the inherent structural weaknesses of the tumor vasculature, causing angiolysis (disruption of blood vessels) and tumor damage.\r\n\r\nThe compound is indicated for treatment of a variety of invasive carcinomas and ADH-1 has been shown to be synergistic with taxane-based chemotherapy in the systemic treatment of ovarian cancer xenografts.\r\n\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05486","Name":"MLN-1202","DrugType":"small molecule","HalfLife":"","Description":"MLN1202, a novel humanized monoclonal antibody, specifically targets CCR2 chemokine receptors found on the surface of certain white blood cells including macrophages and monocytes. Preclinical studies suggest that CCR2 plays an important role in the trafficking of monocytes and macrophages to sites of inflammation. The recruitment of macrophages to the arterial wall is believed to be a critical step in the development of atherosclerosis. MLN1202 fully met the primary endpoint in Phase II clinical study of patients at high risk for atherosclerosis","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in atherosclerosis, cardiovascular disorders, and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"Preclinical studies suggest that CCR2 plays an important role in the trafficking of monocytes and macrophages to sites of inflammation. The recruitment of macrophages to the arterial wall is believed to be a critical step in the development of atherosclerosis. MLN1202 targets CCR2 chemokine receptors found on the surface of certain white blood cells including macrophages and monocytes.","Pharmacodynamics":"MLN1202, a novel humanized monoclonal antibody, specifically targets CCR2 chemokine receptors found on the surface of certain white blood cells including macrophages and monocytes. MLN1202 is indicated for the treatment of patients at high risk for atherosclerosis","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05487","Name":"CC-8490","DrugType":"small molecule","HalfLife":"","Description":"CC-8490 is a benzopyran with potential antineoplastic activity. CC-8490 acts as a selective estrogen receptor modulator (SERM), inhibiting the proliferation of estrogen-sensitive breast cancer cells. This agent also inhibits growth and induces apoptosis of glioblastoma cells via a mechanism independent of estrogen receptor-related mechanisms. CC-8490 is also being investigated in the treatment of primary brain tumors.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in brain cancer and breast cancer.","Toxicity":"safe and well tolerated in a Phase I trial in healthy human volunteers.","MechanismOfAction":"CC-8490 acts as a selective estrogen receptor modulator (SERM), inhibiting the proliferation of estrogen-sensitive breast cancer cells. This agent also inhibits growth and induces apoptosis of glioblastoma cells via a mechanism independent of estrogen receptor-related mechanisms.\r\n\r\nPreliminary results in studies regarding the mechanism of action in brain cancer suggest that C-8490 surpresses nuclear factor (NF)-KB with its target genes IEX-3, SOD2, IL6, and IL8.","Pharmacodynamics":"CC-8490, a new anti-cancer compound from Celgene's proprietary class of benzopyrans, being evaluated as a potential therapy for brain cancer. The National Cancer Institute also reports applications in breast cancer related to potential antineoplastic activity. CC-8490 acts as a selective estrogen receptor modulator (SERM), inhibiting the proliferation of estrogen-sensitive breast cancer cells. This agent also inhibits growth and induces apoptosis of glioblastoma cells via a mechanism independent of estrogen receptor-related mechanisms.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05488","Name":"99mTc-ciprofloxacin","DrugType":"small molecule","HalfLife":"","Description":"99mTc-Ciprofloxacin is a new formulation of ciprofloxacin (INFECTON), being investigated as a radioimaging agent for the potential diagnosis of infection, including fever of unknown origin, osteomyelitis, wound infection, abdominal abscess, pneumonia, appendicitis and tuberculosis. INFECTON combines the widely used antibiotic, ciprofloxacin, with Technetium ((99m)Tc), the most commonly used radioisotope in nuclear medical imaging There is currently controversy around the drug's ability to discriminate between sterile inflammation and bacterial versus nonbacterial infections.","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"Investigated for use/treatment in infectious and parasitic disease (unspecified).","Toxicity":"","MechanismOfAction":"Ciprofloxacin is a fluoroquinolone antibiotic. The mechanism of action of these fluoroquinolones is not fully understood, but it has been postulated that the interaction of ciprofloxacin with bacterial DNA gyrase (a type II topoisomerase) prevents DNA uncoiling and subsequent DNA synthesis within bacteria. Ciprofloxacin demonstrates a significant antibiotic effect for both gram-negative and gram-positive bacteria in either stationary or growth phases of bacterial replication. However, the addition of the 99mTc atom likely affects the interaction of the ciprofloxacin molecule with the enzyme.","Pharmacodynamics":"This radiopharmaceutical diagnostic imaging agent is being investigated for its ability to uniquely detect and determine the location of bacterial infection in patients with difficult-to-diagnose signs and symptoms. This may be of use with the potential diagnosis of infection, including fever of unknown origin, osteomyelitis, wound infection, abdominal abscess, pneumonia, appendicitis and tuberculosis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05489","Name":"ACA 125","DrugType":"small molecule","HalfLife":"","Description":"An IgG1 murine monoclonal anti-idiotype antibody (Ab2), ACA-125, was developed to bind to anti-CA 125 antibodies. ACA-125 mimics the tumor-associated antigen CA-125, which can be detected in about 80% of ovarian carcinomas.\r\n\r\n\r\nThis new concept of oncological immunotherapy consists of an attempt to trigger the immune system of the host to respond against tumor cells. Antiidiotypic antibodies bearing the internal image of an antigen expressed on the surface of the tumor are suited to this approach. \r\n\r\nTo create ACA-125, a hybridoma cell was adapted to serum-free medium and antibody was produced in a hollow fiber cell culture system. Positive clinical results are now being reported.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in ovarian cancer.","Toxicity":"","MechanismOfAction":"To create ACA-125, a hybridoma cell was adapted to serum-free medium and antibody was produced in a hollow fiber cell culture system. ACA 125 (Ab2) showed high affinity for the paratope of Abl. Binding of Ab2 to Abl is completely inhibited by the nominal antigen. Application of fragments of ACA 125 to rats lead to an anti-CA 125 immunity by production of IgG and IgM antiantiidiotypic antibodies (Ab3) that bind to both ACA 125 and CA 125.","Pharmacodynamics":"An IgG1 murine monoclonal anti-idiotype antibody (Ab2), ACA-125, was developed to bind to anti-CA 125 antibodies. ACA-125 mimics the tumor-associated antigen CA-125, which can be detected in about 80% of ovarian carcinomas. It is therefore indicated for ovarian cancer.\r\n\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05490","Name":"T131","DrugType":"small molecule","HalfLife":"","Description":"T131, an orally-administered therapy, is expected to lower blood glucose in type II diabetic patients by improving the body’s ability to respond to insulin. T131 is a selective modulator of PPARg (peroxisome proliferator activated receptor gamma), a receptor involved in regulating the body’s ability to respond to insulin. T131 is not structurally related to the thiazolidinedione class of PPARg agonists, which includes Actos and Avandia.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"In preclinical studies comparing T131 to Avandia, T131\r\ndemonstrated superior potency and an improved side effect profile. In these studies, T131 treatment did not result in fluid retention or cardiac hypertrophy. In Phase 1 studies\r\nwith T131, all doses were well tolerated and no serious adverse events were observed.\r\n","MechanismOfAction":"T131 is a selective modulator of PPARg (peroxisome proliferator activated receptor gamma), a receptor involved in regulating the body’s ability to respond to insulin. T131 is not structurally related to the thiazolidinedione class of PPARg agonists, which includes Actos and Avandia","Pharmacodynamics":"T131, an orally-administered therapy, is expected to lower blood glucose in type II diabetic patients by improving the body’s ability to respond to insulin. T131 is not structurally related to the thiazolidinedione class of PPARg agonists, which includes Actos and Avandia","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05491","Name":"ATN-161","DrugType":"small molecule","HalfLife":"","Description":"ATN-161 is a non-RGD based integrin binding peptide targeting alpha-5 beta-1 and alpha-v beta-3. It inhibits the migration and adhesion of particular integrins on activated endothelial cells that play a critical role in tumor angiogenesis. This approach targeting both the tumor vasculature and the cancer cells themselves, may be effective in single therapy as well as combination therapy. Since the expression of alpha(5)beta(1) integrin by cancer cells and the role of this molecule in tumor angiogenesis is similar across a range of different cancers, the therapeutic benefit of ATN-161 is expected to extend to a variety of cancers.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in brain cancer and cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"ATN-161 is a non-RGD based integrin binding peptide targeting alpha-5 beta-1 and alpha-v beta-3. It inhibits the migration and adhesion of particular integrins on activated endothelial cells that play a critical role in tumor angiogenesis. Beta integrins, including beta(1), beta(3) and beta(5) subtypes, are present on endothelial cells and mediate endothelial cell-extracellular matrix interactions. Of particular interest to cancer progression is integrin alpha(5)beta(1) which is expressed on activated endothelial cells and plays a critical role in tumor angiogenesis. Likewise alpha(5)beta(1) integrin is also present on many tumor cells where is plays a key role in adhesion and migration and hence blocking this integrin can affect tumor progression both directly and also indirectly through the prevention of angiogenesis. ","Pharmacodynamics":"ATN-161 is a non-RGD based integrin binding peptide targeting alpha-5 beta-1 and alpha-v beta-3. It inhibits the migration and adhesion of particular integrins on activated endothelial cells that play a critical role in tumor angiogenesis. Since the over-expressed integrins and hyper-vasularized tissue is common across many cancer types, this treatment is expected to be indicated for many different cancers.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05492","Name":"Epicept NP-1","DrugType":"small molecule","HalfLife":"","Description":"EpiCept NP-1 is a prescription topical analgesic cream designed to provide effective, long-term relief from the pain of peripheral neuropathies. Peripheral neuropathies are medical conditions caused by damage to the nerves in the peripheral nervous system. The peripheral nervous system includes nerves that run from the brain and spinal cord to the rest of the body. EpiCept NP-1 Cream is a patented formulation containing two FDA-approved drugs, amitriptyline (a widely-used antidepressant) and ketamine (an NMDA antagonist that is used as an anesthetic).","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"Investigated for use/treatment in neuropathy (diabetic) and pain (acute or chronic).","Toxicity":"Mild sensitivity at application site","MechanismOfAction":"The mechanism(s) of action are unclear for Epicept. Both ketamine and amitriptyline inhibit N-methyl-D-aspartate receptors in neuronal preparations and may be involved in sensitization of tetrodotoxin-resistant Na+ currents in nociceptors by blocking Na+ channels. In producing antihyperalgesia with pretreatment, but not posttreatment, regimens, ketamine and amitriptyline resemble the profile of a µ-opioid receptor agonist. In addition to the above effects, amitriptyline also inhibits noradrenaline, 5-HT, and adenosine uptake; inter-acts with opioid mechanisms; blocks Ca2+ channels; and blocks cholinergic, histamine H1, 5-HT2, and {alpha}-adrenergic receptors. Accordingly there are many possible mechanisms at work.\r\n","Pharmacodynamics":"EpiCept NP-1 is a prescription topical analgesic cream designed to provide effective, long-term relief from the pain of peripheral neuropathies. Peripheral neuropathies are medical conditions caused by damage to the nerves in the peripheral nervous system. The peripheral nervous system includes nerves that run from the brain and spinal cord to the rest of the body. It is estimated that these conditions affect more than 15 million people in the U.S. and is associated with conditions that injure peripheral nerves, including herpes zoster, or shingles, diabetes, chemotherapy, HIV and other diseases. Peripheral neuropathies can also be caused by trauma or may result from surgical procedures. EpiCept NP-1 Cream is a patented formulation containing two FDA-approved drugs, amitriptyline (a widely-used antidepressant) and ketamine (an NMDA antagonist that is used as an anesthetic).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05493","Name":"NX-1207","DrugType":"small molecule","HalfLife":"","Description":"NX-1207 is an investigational new drug for BPH, whose chemical entity and mechanism of action remain undisclosed. Nymox Pharmaceutical Corporation recently completed studies of NX-1207 for treatment of benign prostatic hyperplasia (BPH).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in benign prostatic hyperplasia.","Toxicity":"The results of the trial demonstrated the excellent safety and side effect profile of NX-1207. In particular, patients given NX-1207 had no (0%) significant sexual side effects","MechanismOfAction":"NX-1207 is an investigational new drug for BPH, whose chemical entity and mechanism of action remain undisclosed. ","Pharmacodynamics":"NX-1207 is an investigational new drug for BPH, whose chemical entity and mechanism of action remain undisclosed. BPH is a common disorder of older men, afflicting approximately half of men over age 50 and close to 90% of men by age 80. The disorder causes difficulties with urination associated with aging, such as urination at night, urge to void frequently, hesitancy, weak stream, and other problems.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05494","Name":"CP-4055","DrugType":"small molecule","HalfLife":"","Description":"CP-4055 is a fatty acid derivative of cytarabine, an approved cytotoxic cancer drug. Cytarabine has limitations such as minimal uptake in solid tumours and is only used to treat leukaemia. CP-4055 is designed to overcome this limitation and has shown considerable uptake in solid tumour cells. CP-4055 is a patented new chemical entity of the nucleoside analog class, with improved biological properties and the potential to treat solid tumours such as non-small cell lung cancer, malignant melanoma and ovarian cancer.","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Investigated for use/treatment in leukemia (unspecified) and melanoma.","Toxicity":"","MechanismOfAction":"CP-4055 is the lipophilic 5'-elaidic acid ester of the deoxycytidine analog cytosine arabinoside (cytarabine; Ara-C) with potential antineoplastic activity. As a prodrug, CP-4055 is converted intracellularly into cytarabine triphosphate by deoxycytidine kinase and subsequently competes with cytidine for incorporation into DNA, thereby inhibiting DNA synthesis. Compared to cytarabine, CP-4055 shows increased cellular uptake and retention, resulting in increased activation by deoxycytidine kinase to cytarabine triphosphate, decreased deamination and deactivation by deoxycytidine deaminase, and increased inhibition of DNA synthesis. This agent also inhibits RNA synthesis, an effect not seen with cytarabine.","Pharmacodynamics":"CP-4055 is a fatty acid derivative of cytarabine, an approved cytotoxic cancer drug. Cytarabine has limitations such as minimal uptake in solid tumours and is only used to treat leukaemia. CP-4055 is designed to overcome this limitation and has shown considerable uptake in solid tumour cells. CP-4055 is a patented new chemical entity of the nucleoside analog class, with improved biological properties and the potential to treat solid tumours such as non-small cell lung cancer, malignant melanoma and ovarian cancer.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05495","Name":"PG-530742","DrugType":"small molecule","HalfLife":"","Description":"PG-530742 selectively inhibits certain matrix metalloproteinases that have been implicated in the cartilage degradation that occurs in osteoarthritis. By inhibiting these MMPs, it potentially limits cartilage degradation and disease progression. Studies are currently assessing the efficacy and safety of PG-530742 in the treatment of mild to moderate knee osteoarthritis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in osteoarthritis.","Toxicity":"","MechanismOfAction":"PG-530742 selectively inhibits certain matrix metalloproteinases: In an independent research study, the drug-treated group showed decreased levels of MMP-2, -3, -9, and -13.","Pharmacodynamics":"PG-530742 selectively inhibits certain matrix metalloproteinases that have been implicated in the cartilage degradation that occurs in osteoarthritis. By inhibiting these MMPs, it potentially limits cartilage degradation and disease progression. Studies are currently assessing the efficacy and safety of PG-530742 in the treatment of mild to moderate knee osteoarthritis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05496","Name":"TRX4","DrugType":"small molecule","HalfLife":"","Description":"TRX4 is a monoclonal antibody that binds to a receptor found on all T cells called CD3, which is involved in normal T cell signaling. TRX4 is believed to inhibit the function of autoreactive T cells, which are important in propagating autoimmune diseases, while inducing regulatory T cell pathways that promote immunological tolerance and inhibit autoreactive disease activity. Tolerx is developing TRX4 to treat patients with type 1 diabetes, psoriasis and other autoimmune diseases such as rheumatoid arthritis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 1, pediatric indications, and psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"TRX4 is a monoclonal antibody that binds to a receptor found on all T cells called CD3, which is involved in normal T cell signaling. TRX4 is believed to inhibit the function of autoreactive T cells, which are important in propagating autoimmune diseases, while inducing regulatory T cell pathways that promote immunological tolerance and inhibit autoreactive disease activity.","Pharmacodynamics":"TRX4 is a monoclonal antibody that binds to a receptor found on all T cells called CD3, which is involved in normal T cell signaling. Tolerx is developing TRX4 to treat patients with type 1 diabetes, psoriasis and other autoimmune diseases such as rheumatoid arthritis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05498","Name":"KW-7158","DrugType":"small molecule","HalfLife":"","Description":"KW-7158 is a tricyclic compound with a non-cholingergic mechanism of action for the treatment of \"urinary urgency,\" \"frequent urination\" and \"urinary incontinence\" associated with bladder overactivity (involuntary abnormal contraction of the bladder). The therapeutic effects of KW-7158 in overactive bladder may be due to the activation of A-type K(+) channels which regulate afferent neuron excitability and firing properties in the dorsal root ganglion neurons.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in urinary incontinence.","Toxicity":"","MechanismOfAction":" The therapeutic effects of KW-7158 in overactive bladder may be due to the activation of A-type K(+) channels which regulate afferent neuron excitability and firing properties in the dorsal root ganglion neurons. It is proposed that KW-7158 acts uniquely on the peripheral sensory nerves to control bladder activities by shortenining the action potential duration in DRG neurons.","Pharmacodynamics":"KW-7158 is a tricyclic compound with a non-cholingergic mechanism of action for the treatment of \"urinary urgency,\" \"frequent urination\" and \"urinary incontinence\" associated with bladder overactivity (involuntary abnormal contraction of the bladder).\r\nAs the aging of population progresses, an increasing number of people are likely to suffer from urinary incontinence. Bladder overactivity, the indication for this compound, is estimated to affect around 2.4 million people in Japan and around 20 million in the US and Europe combined. We consider that the market for this therapeutic domain, which is characterised by the predominance of untreated patients, tends to grow. The current mainstay of treatment for bladder overactivity is anti-cholinergic agents, which, however, are associated with high incidences of adverse reactions such as thirst and urination disorder. The development of a new type of drugs, particularly those causing fewer side effects, is thus anticipated.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05499","Name":"TAK-428","DrugType":"small molecule","HalfLife":"","Description":"TAK-428 is a drug for treating diabetic neuropathy. It is based on the novel concept that peripheral nervous tissue that was damaged by diabetes can be repaired and regenerated by stimulating an increase in neurotrophic factors.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in neuropathy (diabetic).","Toxicity":"","MechanismOfAction":"TAK-428 stimulates an increase in neurotrophic factors.\r\n","Pharmacodynamics":"TAK-428 is a drug for treating diabetic neuropathy. It is based on the novel concept that peripheral nervous tissue that was damaged by diabetes can be repaired.\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05500","Name":"AVN-944","DrugType":"biotech","HalfLife":"","Description":"AVN944 is a biotech drug that demonstrated a statistically meaningful impact on IMPDH and other proteins that are critical to activities in cancer cells, including nucleotide biosynthesis, energy and metabolism, DNA replication, apoptosis and cell cycle control. AVN944 has been associated with cancer cell death in clinical trials. It is being investigated for the treatment of patients with advanced hematologic malignancies.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), leukemia (unspecified), lymphoma (unspecified), multiple myeloma, and pancreatic cancer.","Toxicity":"","MechanismOfAction":"AVN944 inhibits IMPDH and appears to induce apoptosis. Specifically, it was found that the gene HspA1A, a marker of stress response found to correlate with depleted GTP pools in cancer cell lines, is induced within hours upon the first treatment of the drug in patients, even at the trial's lowest doses. Following continued dosing of AVN944, this marker of disease cell stress was elevated even in the absence of circulating levels of the drug between doses. ","Pharmacodynamics":"IMPDH is highly upregulated in most hematological cancers and in many solid tumors. AVN944 is a biotech drug that demonstrated a statistically meaningful impact in inhibiting IMPDH and other proteins that are critical to activities in cancer cells, including nucleotide biosynthesis, energy and metabolism, DNA replication, apoptosis and cell cycle control. AVN944 has been associated with cancer cell death in clinical trials. It is being investigated for the treatment of patients with advanced hematologic malignancies.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05501","Name":"AMD-070","DrugType":"small molecule","HalfLife":"","Description":"AMD-070 is a small molecule drug candidate that belongs to a new investigational class of anti-HIV drugs known as entry (fusion) inhibitors. Currently there is only one FDA-approved entry inhibitor, enfuvirtide (Fuzeon), that is available for the treatment of HIV infection. Several experimental entry inhibitors are now in early stage testing, including AMD-070, which targets the CXCR4 receptor on HIV and prevents the virus from entering and infecting healthy cells. Other entry inhibitors target the CCR5 receptor of HIV.These new agents are widely viewed as next generation anti-HIV drugs with the potential to significantly advance HIV therapeutics.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"Chemokine receptors expressed on the surface of immune cells are known to play a critical role in virus infection and transmission. CXCR4, and another chemokine receptor CCR5, are involved in HIV infection.\r\n\r\nThe process of HIV entry begins with binding of the viral envelope glycoprotein to both the CD4 receptor and one of only two chemokine receptors, and ends with fusion of viral and cell membranes. Viral entry provides novel therapeutic targets against HIV. To date, at least 3 sub classes of HIV viral entry/fusion inhibitors have emerged:\r\n\r\n 1. CD4 binding or attachment - targets initial recognition and binding of the viral glycoprotein gp120 to the cell-surface CD4 antigen.\r\n 2. Chemokine co-receptor binding - targets binding of virus to the CCR5 or CXCR4 co-receptor.\r\n 3. Fusion Inhibition - targets the viral glycoprotein gp41 inhibiting the fusion of virus with the cell.\r\n\r\n\r\nDifferent strains of HIV prefer one receptor or the other, or may use either receptor to infect cells.\r\n\r\n * 35% of strains use both CXCR4 and CCR5\r\n * 5% of strains are pure CXCR4 using\r\n * 60% of strains are pure CCR5 using\r\n * An infected individual may harbor different levels of both CXCR4 and CCR5 using virus\r\n * CXCR4 using virus independently predicts CD4 decline and HIV clinical progression and is associated with earlier mortality\r\n\r\n","Pharmacodynamics":"AMD-070 is a small molecule drug candidate that belongs to a new investigational class of anti-HIV drugs known as entry (fusion) inhibitors. Approximately 76% of HIV-patients with measurable viral load are infected with a strain of virus that is resistant to one or more classes of antiretroviral agents, thus reducing treatment options. Unlike many existing HIV drugs that target the virus after it has infected a healthy cell, AMD-070 blocks the virus from entering a healthy cell, thus preventing the replication process. AMD-070 targets the CXCR4 receptor on HIV and prevents the virus from entering and infecting healthy cells. \r\n* AMD-070 is specific for the CXCR4 receptor and does not interact with any other chemokine receptors in vitro\r\n * AMD-070 strongly inhibits viral infection by all CXCR4 using virus (including virus using CXCR4 alone and/or virus using CXCR4 and CCR5) in vitro\r\n * AMD-070 is orally bioavailable in animals\r\n * Suitable PK and toxicity profile for oral dosing\r\n * AMD-070 shows additive or synergistic effects in vitro in combination with other known anti-HIV agents\r\n * AMD-070 is active against CXCR4 using HIV strains that are resistant to existing antiretroviral therapies in vitro\r\n * Potent anti-HIV activity against CXCR4-using laboratory strains and clinical isolates\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05502","Name":"AG-858","DrugType":"biotech","HalfLife":"","Description":"AG-858 (autologous heat-shock protein 70 peptide vaccine) is\r\na recombinant cancer vaccine made with tumor-derived heat shock protein 70 (HSP70) peptide complexes. HSP70 associates with antigenic peptides, transporting them into antigen presenting cells (APC) for processing. Tumor-derived HSP70-peptide complexes used in vaccine preparations have been shown to prime tumor immunity and tumor-specific T cells in animal models.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in leukemia (myeloid).","Toxicity":"Well-tolerated — it’s designed to leave your healthy cells alone so the side effects of most conventional cancer treatments are minimized ","MechanismOfAction":"Under normal conditions, heat shock proteins are not found outside the cell. But if a cancerous or infected cell has become so sick that it dies and its membrane bursts, all of the cell’s contents spill out, including heat shock proteins that are bound to peptides. These extracellular HSPs send a very strong ‘dange r signal’ to the immune system, instructing it to destroy the other diseased cells. This is how it works:\r\n\r\n * A sick cell dies and ruptures, spilling out the HSP-peptide complexes.\r\n * These extracellular complexes of HSPs and peptides are detected by circulating immune system cells called antigen-presenting cells (APCs). These APCs include cells called macrophages and dendritic cells.\r\n * The HSP complexes bind the CD91 receptor on the APC cell surface. The APC can then take in the HSP complexes.\r\n * Once the APCs have taken in the HSP complexes, they travel to the lymph nodes, which are clusters of immune system tissue that are distributed throughout the body.\r\n * In the lymph nodes, the APCs take the peptides that were associated with the HSPs and re-present them on the APC cell surface. These peptides are antigenic — meaning that they can stimulate an immune response.\r\n * In the lymph nodes, specialized immune cells called T cells ‘see’ these peptides and are then programmed to seek out cells bearing these specific, abnormal peptides.\r\n * Because every person and every cancer is different, the unique repertoire of antigenic peptides represents that individual patient’s specific cancer’s ‘fingerprint.’ The T cells are activated to target and destroy cancer cells bearing this fingerprint.","Pharmacodynamics":"AG-858 is an investigational personalized vaccine designed to treat cancer while minimizing the side effects that are often associated with other treatment options. Patients undergo a blood-filtering process called leukapheresis, during which white blood cells are collected. The white blood cells are sent to Antigenics so that the personalized vaccines can be made. Vaccines provoke the body’s natural disease-fighting response. A vaccine that is made from the patient’s own cancerous cells is designed to contain the particular cancer’s ‘fingerprint.’ Injection of the AG-858 vaccine may cause the body to attack any cells bearing this cancer fingerprint.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05505","Name":"NM-702","DrugType":"small molecule","HalfLife":"","Description":"Nissan Chemical and Taisho have been jointly developing NM-702, a drug for the treatment of arteriosclerosis obliterans.\r\n\r\nM-702 is an orally active inhibitor of phosphodiesterase and thromboxane synthetase. In Japan, Phase 2 studies are being conducted for intermittent claudication caused by arteriosclerosis obliterans, intermittent claudication caused by spinal canal stenosis, and asthma. In the USA, a Phase 2 study for intermittent claudication caused by arteriosclerosis obliterans has been successfully completed.\r\nIntermittent claudication is a major symptom of arteriosclerosis obliterans. It is caused by insufficient oxygen supply to exercising muscles in the lower extremities due to decreased blood flow as a result of sclerosis of peripheral arteries. It is estimated that about 6 million people suffer from intermittent claudication in the USA, with only 10 percent of these people currently receiving treatment. Patients with claudication experience significant disability, owing to their exercise limitation. Therapeutic options to improve exercise performance in these patients are limited","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in peripheral vascular disease.","Toxicity":"","MechanismOfAction":"NM-702 is a novel drug that inhibits phosphodiesterase as well as thromboxane A2 synthase.","Pharmacodynamics":"Intermittent claudication is a major symptom of arteriosclerosis obliterans. It is caused by insufficient oxygen supply to exercising muscles in the lower extremities due to decreased blood flow as a result of sclerosis of peripheral arteries. Patients with claudication experience significant disability, owing to their exercise limitation. Therapeutic options to improve exercise performance in these patients are limited. NM-702 is a novel drug that inhibits phosphodiesterase as well as thromboxane A2 synthase.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05506","Name":"ISIS 113715","DrugType":"small molecule","HalfLife":"","Description":"ISIS 113715 is our second-generation antisense inhibitor of protein tyrosine phosphatase 1b, or PTP‑1b, for the treatment of type 2 diabetes. In early trials, ISIS 113715 induced statistically significant improvements in multiple measures of glucose control along with statistically significant\r\nreductions in LDL-cholesterol. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"ISIS 113715 is our second-generation antisense inhibitor of protein tyrosine phosphatase 1b, or PTP‑1b, for the treatment of type 2 diabetes. PTP‑1b is responsible for turning off the activated insulin receptor, so by reducing levels of PTP‑1b, ISIS 113715 enhances the activity of insulin. Antisense technology allows us to design very specific drugs that inhibit PTP‑1b and that do not inhibit other family members, making it possible to reduce PTP‑1b activity without having other effects on closely related proteins that would likely lead to unwanted side effects.\r\n","Pharmacodynamics":"Because ISIS 113715 is an insulin sensitizer that acts by increasing the activity of the insulin receptor in response to insulin, the most logical place for this drug in the diabetes treatment regimen is as an adjunct to insulin therapy. ISIS 113715 has a novel mechanism of PTP-1b inhibiting action, and acts as an insulin signal enhancer with anti-obesity and lipid lowering potential. PTP‑1b has long been recognized as an attractive target for treatment of diabetes, but due to structural similarities among closely related proteins, it has been difficult to identify small molecule drugs with sufficient specificity to be\r\nsafe. Antisense technology allowed for the design of very specific drugs that inhibit PTP‑1b and that do not inhibit other family members, making it possible to reduce PTP‑1b activity without having other effects on closely related proteins that would likely lead to unwanted side effects.\r\n\r\n","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05507","Name":"VX-765","DrugType":"small molecule","HalfLife":"","Description":"VX-765 is the orally available prodrug of a potent and selective competitive inhibitor of ICE/caspase-1 (VRT-043198). VX-765 is currently under clinical development for the treatment of inflammatory and autoimmune conditions, as it blocks the hypersensitive response to an inflammatory stimulus.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in inflammatory disorders (unspecified) and psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"VX-765 is a potent and selective inhibitor of ICE/caspase-1 sub-family caspases. In preclinical trials, VX-765 was efficiently converted to VRT-043198 when administered orally to mice and inhibited LPS-induced cytokine secretion. The result was a blocking of IL-1beta and IL-18 secretion, with out much effect on the release of several other cytokines, including IL-1{alpha}, tumor necrosis factor-{alpha}, IL-6 and IL-8. There was also no demonstrable activity in cellular models of apoptosis and it did not affect the proliferation of activated primary T-cells or T-cell lines. \r\n","Pharmacodynamics":"VX-765 is an orally-absorbed pro-drug of VRT-043198, a potent and selective inhibitor of ICE/caspase-1 sub-family caspases. It has been shown to reduce disease severity and the expression of inflammatory mediators in models of rheumatoid arthritis and skin inflammation, suggesting that it may be useful for treatment of inflammatory diseases.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05508","Name":"PTI-901","DrugType":"small molecule","HalfLife":"","Description":"PTI-901 (low-dose naltrexone HCI) is Pain Therapeutics' novel drug candidate to treat men or women with IBS. It is believed that an imbalance of opioid activity in the gut contributes to the symptoms that comprise IBS. Such an imbalance may be triggered by emotional stress, metabolic disorders or intrinsic release of opioids from neurons in the gut. PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut. By restoring this imbalance, PTI-901 relieves abdominal pain and other symptoms frequently observed in patients with IBS.","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"Investigated for use/treatment in irritable bowel syndrome (IBS).","Toxicity":"","MechanismOfAction":"PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut","Pharmacodynamics":"\r\nIBS is a chronic, painful abdominal disorder that leads to major changes in bowel habits. IBS causes some patients to have constipation, diarrhea or in some cases both. The cause of IBS is not known, and as yet there is no cure. People with chronic IBS may be unable to attend social events, hold a job, or travel away from home. Over 10 percent of the U.S. population suffers from IBS. For unknown reasons, IBS predominantly affects women.\r\nPTI-901 (low-dose naltrexone HCI) is Pain Therapeutics' novel drug candidate to treat men or women with IBS. It is believed that an imbalance of opioid activity in the gut contributes to the symptoms that comprise IBS. PTI-901 is the first in a new class of drugs called opioid antagonists designed to restore the balance of opioid activity in the gut. By restoring this imbalance, PTI-901 relieves abdominal pain and other symptoms frequently observed in patients with IBS","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05509","Name":"LI-301","DrugType":"small molecule","HalfLife":"","Description":"LI 301 is an orally bio-available compound delivered in a fast melt mechanism with taste masking enabling it to be taken anytime without water. It has a novel mode of action combining both the light effect of a Selective Serotonin Reuptake Inhibitor (\"SSRI\")(most likely antagonistic at 5HT1a receptors) and antagonism at mu-opioid receptors. This results in a slight dulling of sensation that can be used to treat premature ejaculation without interfering with normal sexual pleasure or orgasm. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in premature ejaculation.","Toxicity":"","MechanismOfAction":"LI 301 has a novel mode of action combining both the light effect of a Selective Serotonin Reuptake Inhibitor (\"SSRI\")(most likely antagonistic at 5HT1a receptors) and antagonism at mu-opioid receptors.","Pharmacodynamics":"LI 301 is an orally bio-available compound delivered in a fast melt mechanism with taste masking enabling it to be taken anytime without water. LI 301 is active in the system for up to seven hours once administered, enabling patients to relax and partners to feel unpressured by time limitation. LI 301 has a novel mode of action combining both the light effect of a Selective Serotonin Reuptake Inhibitor (\"SSRI\") and u-opioid. This results in a slight dulling of sensation that can be used to treat premature ejaculation without interfering with normal sexual pleasure or orgasm. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05510","Name":"Huperzine-A","DrugType":"small molecule","HalfLife":"","Description":"Huperzine-A is a naturally occurring sesquiterpene alkaloid found in the extracts of the firmoss Huperzia serrata. The botanical has traditionally been used in China for the treatment of swelling, fever and blood disorders. Recently in clinical trials in China, it has demonstrated neuroprotective effects. It is currently being investigated as a possible treatment for diseases characterized by neurodegeneration, particularly Alzheimer’s disease. Huperzine A is a cholinesterase inhibitor.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease.","Toxicity":"","MechanismOfAction":"As a quasi-irreversible inhibitor of acetylcholinesterase, Huperzine A is a chemical that inhibits the cholinesterase enzyme from breaking down acetylcholine, so increasing both the level and duration of action of the neurotransmitter acetylcholine.","Pharmacodynamics":"Huperzine A is a cholinesterase inhibitor. This is the same mechanism of action of pharmaceutical drugs such as galantamine and donepezil used to treat Alzheimer's disease. There is evidence that huperzine A may compare favorably in symptomatic efficacy to cholinesterase inhibitors currently in use. In addition, huperzine A has antioxidant and neuroprotective properties that suggest that it may be useful as a disease-modifying treatment for Alzheimer's disease (AD). The drug is currently available as a nutraceutical in this country, and is being used by some U.S. clinicians to treat AD. However, there have been no controlled clinical trials outside China assessing its toxicity and efficacy. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05511","Name":"CF-101","DrugType":"small molecule","HalfLife":"","Description":"CF 101 (known generically as IB-MECA) is an anti-inflammatory drug for rheumatoid arthritis patients. Its novel mechanism of action relies on antagonism of adenoside A3 receptors. \r\nCF101 is supplied as an oral drug and has an excellent safety profile. It is also being considered for the treatment of other autoimmune-inflammatory disorders, such as Crohn's disease, psorasis and dry eye syndrome.","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), eye disorders/infections, psoriasis and psoriatic disorders, and rheumatoid arthritis.\r\nCan-Fite BioPharma has reported that by targeting the adenosine A3-receptor, CF101 may also be used to treat Crohn's disease, a serious gastrointestinal disorder.","Toxicity":"","MechanismOfAction":"CF 101 is an A(3)AR agonist. A(3)AR is highly expressed in inflammatory cells and overexpressed in peripheral blood mononuclear cells, reflecting its role in the remote inflammatory process. In normal tissues, there is low adenoside A3 receptor expression. A(3)AR activation with a specific agonist deregulates the NF-kappaB signaling pathway in inflammatory cells and initiates immunomodulatory effects.","Pharmacodynamics":"CF-101 is an adenoside A3 agonist for the treatment of a variety of autoimmune-inflammatory disorders, particularly rhematoid arthritis. In clinical trials, it was found to be safe, well tolerated and showed strong evidence of an anti-inflammatory effect in rheumatoid arthritis patients. In this trial, a statistically significant correlation was found between A(3)AR expression level and response to the drug, so A(3)AR expression may serve as a biopredictor of patient response.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05512","Name":"MM-093","DrugType":"biotech","HalfLife":"","Description":"MM-093 is a recombinant version of human alpha-fetoprotein (hAFP), an immunomodulatory serum protein normally produced at very high levels by the fetus and present in low levels in the blood of adults and children. Research on AFP suggests that it may play a role in modulating the immune system of the mother in order to protect the developing fetus during pregnancy. The presence of hAFP in the pregnant mother’s blood has long been associated with remission of many autoimmune diseases, including rheumatoid arthritis, psoriasis and multiple sclerosis, during the third trimester of pregnancy. Current studies are assessing MM-093’s potential to improve the treatment of autoimmune disease.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in autoimmune diseases, psoriasis and psoriatic disorders, and rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"One study states that AFP suppresses autologous lymphocyte proliferation and that improvements in experimental arthritis and autoimmune thyroiditis were associated with significantly reduced numbers of CD4 and CD8 splenocytes, total thymocytes and CD4 thymocytes. This suggests that AFP modulates T cell development and immune responses. ","Pharmacodynamics":"M-093 (Merrimack Pharmaceuticals, Cambridge, Massachusetts, USA) is a non-glycosylated version of human AFP produced by recombinant DNA technology in a transgenic goat expression system.. hAFP is an immunomodulatory serum protein normally produced at very high levels by the fetus and present in low levels in the blood of adults and children. Research on AFP suggests that it may play a role in modulating the immune system of the mother in order to protect the developing fetus during pregnancy. The presence of hAFP in the pregnant mother’s blood has long been associated with remission of many autoimmune diseases, including rheumatoid arthritis, psoriasis and multiple sclerosis, during the third trimester of pregnancy. Current studies are assessing MM-093’s potential to improve the treatment of autoimmune disease.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05521","Name":"Telaprevir","DrugType":"small molecule","HalfLife":"The mean elimination half-life after single-dose oral administration of telaprevir 750 mg typically ranged from about 4.0 to 4.7 hours. At steady state, the effective half-life is about 9 to 11 hours.","Description":"Telaprevir (VX-950) is a highly selective and potent inhibitor of the HCV NS3-4A serine protease. It is a member of a class of antiviral drugs known as protease inhibitors and is the first hepatitis C drug that has demonstrated activity in patients who have failed prior therapy. On April 28, 2011, the FDA Antiviral Drugs Advisory Committee voted 18-0 to recommend approval telaprevir for people with genotype 1 chronic hepatitis C and was approved in the U.S. in May, 2011.","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Treating chronic hepatitis C virus (genotype 1) infection in patients with compensated liver (due to liver diseases like cirrhosis) that are treatment naive or have failed therapy with interferons (either null or partial responders and treatment relapsers). ","Toxicity":"The highest documented dose administered is 1875 mg every 8 hours for 4 days in healthy subjects with telaprevir alone. In that study, the following common adverse events were reported more frequently with the 1875 mg q8h regimen compared to the 750 mg q8h regimen: nausea, headache, diarrhea, decreased appetite, dysgeusia, and vomiting. The two most common adverse events that caused the discontinuation of treatment are anemia and rash. ","MechanismOfAction":"Telaprevir is an inhibitor of the HCV NS3/4A serine protease, necessary for the proteolytic cleavage of the HCV encoded polyprotein into mature forms of the NS4A, NS4B, NS5A and NS5B proteins and essential for viral replication. It belongs to the chemical class of alpha-ketoamids and binds to NS3/4A in a covalent but reversible manner. ","Pharmacodynamics":"Telaprevir is a direct-acting antiviral agent (DAA) against the hepatitis C virus. In a biochemical assay, telaprevir inhibited the proteolytic activity of the recombinant HCV NS3 protease domain with an IC50 value of 10 nM.","Absorption":"Telaprevir is orally available, most likely absorbed in the small intestine, with no evidence for absorption in the colon. Maximum plasma concentrations after a single dose of telaprevir are generally achieved after 4 to 5 hours. In vitro studies performed with human Caco-2 cells indicated that telaprevir is a substrate of P-glycoprotein (P-gp). Exposure to telaprevir is higher during co-administration of peginterferon alfa and ribavirin than after administration of telaprevir alone. Dissolution of telaprevir is not dependent by pH. ","Interactions":[{"ID":"DB00346"},{"ID":"DB00404"},{"ID":"DB00381"},{"ID":"DB01076"},{"ID":"DB00604"},{"ID":"DB01013"},{"ID":"DB00838"},{"ID":"DB00872"},{"ID":"DB00091"},{"ID":"DB00390"},{"ID":"DB00320"},{"ID":"DB00625"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB06414"},{"ID":"DB01026"},{"ID":"DB08827"},{"ID":"DB00227"},{"ID":"DB00333"},{"ID":"DB00683"},{"ID":"DB00220"},{"ID":"DB01100"},{"ID":"DB08901"},{"ID":"DB06817"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00641"},{"ID":"DB00864"},{"ID":"DB00820"},{"ID":"DB00897"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB05528","Name":"Mipomersen","DrugType":"small molecule","HalfLife":"Mipomersem has a very long half life of 1-2 months.","Description":"Mipomersen sodium, which was known as the investigational drug, isis-301012, is the salt form of a synthetic phosphorothioate oligonucleotide. Mipomersen sodium prevents the formation of apo B-100, resulting in a decrease in the levels of apolipoprotein B (apo B), low density lipoprotein (LDL), and total cholesterol. Mipomersen is indicated in patients with homozygous familial hypercholesterolemia as an adjunct to diet and other lipid-lowering medications. It is marketed under the brand name Kynamro in the United States, and the FDA label includes a black box warning of hepatoxicity. Specifically, elevations in the liver enzymes, i.e. transaminases, and in liver fat (hepatic steatosis) have been reported. Due to this serious risk of liver toxicity, mipomersen sodium is only available to patients under the restricted program called Kynamro™ Risk Evaluation and Mitigation Strategy program.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in patients with homozygous familial hypercholesterolemia as an adjunct to diet and other lipid-lowering medications.","Toxicity":"The FDA label includes a black box warning of mipomersem induced hepatoxicity. Other less serious adverse effects include nausea, headache, fatigue, local injection site reactions, and flu-like symptoms.","MechanismOfAction":"Mipomersen binds to the mRNA that codes for apoB-100. This binding leads to double-stranded RNA, which is degraded by RNase H and prevents translation of the mRNA to form the apo B-100 protein.","Pharmacodynamics":"Mipomersen sodium decreases the levels of apolipoprotein B (apo B), low density lipoprotein (LDL) non-high density lipoprotein-cholesterol, and total cholesterol.","Absorption":"The maximum mipomersen concentration is reached in about 3-4 hours after subcutaneous injection. Additionally the bioavailability of mipomersn is dose-dependant and ranges from 54%-78%.","Interactions":[{"ID":"DB00898"}],"Salts":[{"ID":"DBSALT000120","Name":"Mipomersen sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB05630","Name":"Sodium stibogluconate","DrugType":"small molecule","HalfLife":"","Description":"Sodium stibogluconate is a medicine used to treat leishmaniasis and is only available for administration by injection. It belongs to the class of medicines known as the pentavalent antimonials. Sodium stibogluconate is sold in the UK as Pentostam (manufactured by GlaxoSmithKline). Widespread resistance has limited the utility of sodium stibogluconate, and in many parts of the world, amphotericin or miltefosine are used instead. It is also being investigated as an anti-tumor agent.","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"For the treatment of various types of a protozoal infection called leishmaniasis, which may result from sandfly bites in tropical and temperate parts of the world. Also investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.","Toxicity":"The main symptoms of antimony overdosage are gastro-intestinal disturbances (nausea, vomiting and severe diarrhoea). Haemorrhagic nephritis and hepatitis may also occur. ","MechanismOfAction":"Sodium stibogluconate directly inhibits DNA topoisomerase I leading to inhibition of both DNA replication and transcription.","Pharmacodynamics":"The mode of action of sodium stibogluconate is not clearly understood. In vitro exposure of amastigotes to 500 mg pentavalent antimony/ml results in a greater than 50% decrease in parasite DNA, RNA protein and purine nucleoside triphosphate levels. It has been postulated that the reduction in ATP (adenosine triphosphate) and GTP (guanosine triphosphate) synthesis contributes to decreased macromolecular synthesis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05649","Name":"NTx-265","DrugType":"biotech","HalfLife":"","Description":"NTx-265 is a combination of two currently marketed large molecules designed to stimulate the growth and differentiation of neural stem cells in adults who have suffered a stroke – the second leading cause of death worldwide. In May 2006, biotechnology company Stem Cell Therapeutics started a Phase IIa study of NTx-265. It is also investigating use of the compound for neurodegenerative disorders, such as Huntington’s disease and Alzheimer’s disease.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in strokes.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05650","Name":"OT-551","DrugType":"small molecule","HalfLife":"","Description":"OT-551 is a novel small molecule that is topically dosed in an eye drop and has the unique ability to penetrate cell membranes and reach both the front and the back of the eye. It is intended to treat Age-related macular Degeneration (AMD), and preclinical research results indicate additional uses for OT-551, including treatment of early stage and advanced dry age-related macular degeneration (AMD) by protecting against retina photoreceptor cell death and inhibiting angiogenesis, the growth of small blood vessels leading to the wet-form of AMD. A leading cause of vision loss, AMD affects approximately 10 million Americans. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cataracts, eye disorders/infections, glaucoma, and macular degeneration.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"OT-551, which has been shown to be a potent catalytic antioxidant, recently completed a Phase 1 safety and comfort study in healthy volunteers.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05651","Name":"MGCD-0103","DrugType":"small molecule","HalfLife":"","Description":"MethylGene Inc, in collaboration with Pharmion Corp, is developing the small-molecule, isoform-selective compound MGCD-0103 in North America for the potential treatment of cancer. MGCD-0103 is currently undergoing phase II clinical trials in patients with lymphoma, leukemia, myelodysplastic syndromes and solid tumors, including pancreatic carcinoma. Taiho Pharmaceutical Co Ltd is evaluating MGCD-0103 for oncological indications in South East Asia.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), leukemia (lymphoid), leukemia (myeloid), lymphoma (non-hodgkin's), lymphoma (unspecified), myelodysplastic syndrome, pancreatic cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"MGCD0103 is a novel isotypic-selective inhibitor of the enzyme histone deacetylase (HDAC). HDAC inhibitors act by turning on tumour suppressor genes that have been inappropriately turned off. Tumour suppressor genes are a natural defense against cancer. It is therefore hypothesized that specifically inhibiting those HDACs involved in cancer with MGCD0103 may restore normal cell function and reduce or inhibit tumour growth.","Pharmacodynamics":"All HDAC inhibitors induce histone H3 hyperacetylation, correlating with inhibition of proliferation, induction of cell differentiation and apoptosis. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05652","Name":"VTP-201227","DrugType":"small molecule","HalfLife":"","Description":"VTP-201227 has a novel mechanism of action and is being developed as a topical agent for the treatment of psoriasis with potential extensions into other dermatological indications. It is being developed by Vitae Pharmaceuticals.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"VTP-201227 is a potent, selective inhibitor of two specific enzymes that are active in the skin. Therapeutic targeting of these enzymes by VTP-201227 promotes naturally-occurring healing processes within the skin. The compound has been designed to be rapidly inactivated in systemic circulation and thus has the potential to have a more favorable safety profile. In preclinical animal models, VTP-201227 was shown to exhibit a superior therapeutic index compared to other topical dermatology drugs.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05654","Name":"ZK-Epothilone","DrugType":"small molecule","HalfLife":"","Description":"ZK-Epothilone is a so-called fully synthetic epothilone and is the first such compound to be in clinical development to combat several forms of cancer. Epothilones are 16-member ring macrolides with antimicrotubule activity that share a similar mechanism of action to the taxanes but have demonstrated potent antiproliferative activity in several different multidrug-resistant and paclitaxel-resistant tumor cell lines in vitro and in vivo.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer, cancer/tumors (unspecified), lung cancer, ovarian cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"Epothilones are a new class of cytotoxic agents that induce tubulin polymerization. ZK-Epothilone, the only fully synthetic, third-generation analogue of epothilone B, is a highly potent tubulin stabilizer that has shown substantial preclinical antitumor activity, including against taxane-resistant models. ","Pharmacodynamics":"ZK-Epothilone is a highly potent, fully synthetic epothilone that was specifically designed to be safer and more effective than other chemotherapy drugs like paclitaxel and other epothilones for the treatment of solid tumor cancers. In early phase studies, ZK-Epothilone appears to have greater antitumor activity relative to other epothilones, and appears to cross the blood-brain barrier which may help to treat brain tumors or metastases.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05655","Name":"TD-5108","DrugType":"small molecule","HalfLife":"","Description":"TD-5108 is a highly selective serotonin receptor agonist effective in patients with chronic constipation. It is being developed by Theravance. TD-5108 was discovered by Theravance through the application of its multivalent drug design in a research program dedicated to finding new treatments for GI motility disorders.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in gastrointestinal diseases and disorders (miscellaneous).","Toxicity":"Overall, the most common adverse events include headache, diarrhea, nausea and vomiting.","MechanismOfAction":"TD-5108 is a potent, highly selective agonist with high intrinsic activity at the 5-HT4 receptor. Relative to other 5-HT receptor types, TD-5108 is \u003e 500-fold selective for binding to the human 5-HT4 receptor. Theravance anticipates that the high degree of selectivity of TD-5108 provides the potential for it to be a better and safer medicine for the treatment of patients with severe constipation and possibly constipation predominant irritable bowel syndrome.","Pharmacodynamics":"Studies demonstrating the in vivo preclinical profile of TD-5108 showed that the compound has potent 5-HT4 receptor agonist activity by several routes of administration, including oral, providing robust prokinetic activity in the digestive tract of three different animal species, consistent with its highly potent and selective 5-HT4 receptor agonist in vitro profile.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05657","Name":"TZP-101","DrugType":"small molecule","HalfLife":"","Description":"TZP-101 is a novel small molecule ghrelin agonist being developed by Tranzyme Pharma as a first-in-class treatment for both POI and diabetic gastroparesis, serious medical conditions in which motility of the GI tract is severely impaired.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in gastrointestinal diseases and disorders (miscellaneous), gastroparesis, and ileus.","Toxicity":"","MechanismOfAction":"Postoperative ileus (POI) is a major cause of postoperative complications and prolonged hospitalization. Ghrelin, which is the endogenous ligand for the growth hormone secretagogue receptor, has been found to stimulate gastric motility and accelerate gastric emptying. TZP-101 is a synthetic ghrelin-receptor agonist, and has been shown to improve gastrointestinal transit in rats with POI.","Pharmacodynamics":"Data gathered thus far demonstrate that TZP-101 induces a dose-dependent increase of gastric emptying that effectively reverses the delay caused by surgically induced postoperative ileus (POI). Treatment levels as low as 30µg/kg have been shown to be effective in stimulating GI transit in this model. Furthermore, TZP-101 significantly stimulates gastric emptying in naïve rats with 100-fold greater potency than metoclopramide, a compound currently marketed as a prokinetic treatment for gastroparesis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05658","Name":"SPL-7013","DrugType":"small molecule","HalfLife":"","Description":"SPL7013 is a lysine-based dendrimer with naphthalene disulfonic acid surface groups. It is the active ingredient of VivaGel, a water-based vaginal microbicide gel.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in genital herpes and HIV prevention.","Toxicity":"","MechanismOfAction":"Dendrimers such as SPL7013 are polymers that contain a central core, interior branches, and terminal surface groups adapted to specific targets. SPL7013 has a polyanionic outer surface that provides for multiple target interactions. The active surface groups bind to gp120 proteins on HIV's surface, preventing CD4 receptor binding by healthy cells and thus blocking transmission of HIV to healthy cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05659","Name":"faropenem medoxomil","DrugType":"small molecule","HalfLife":"","Description":"Faropenem medoxomil is an ester prodrug derivative of the beta-lactam antibiotic faropenem. The prodrug form of faropenem offers dramatically improved oral bioavailability and leads to higher systemic concentrations of the drug. Faropenem medoxomil is a broad-spectrum antibiotic that is highly resistant to beta-lactamase degradation. It is being developed jointly by Replidyne, Inc. and Forest Laboratories, Inc.","Classification":{"Description":"This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).","DirectParent":"Tricarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Tricarboxylic Acids and Derivatives"},"Indication":"Investigated for use/treatment in bacterial infection, bronchitis, otitis media, and pediatric indications.","Toxicity":"","MechanismOfAction":"Like other beta-lactam antibiotics, faropenem acts by inhibiting the synthesis of bacterial cell walls. It inhibits cross-linkage between the linear peptidoglycan polymer chains that make up a major component of the cell wall of Gram-positive bacteria. It does this by binding to and competitively inhibiting the transpeptidase enzyme used by bacteria to cross-link the peptide (D-alanyl-alanine) used in peptidogylcan synthesis.","Pharmacodynamics":"Faropenem has demonstrated excellent in vitro activity against common respiratory pathogens, many aerobic gram-positive organisms, and anaerobes. Activity against gram-negative organisms is more reserved. In vivo data suggest that faropenem is efficacious in treating community-acquired infections including uncomplicated skin and skin structure infections; however, more data may help to characterize faropenem's place in antimicrobial therapy.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05662","Name":"NP-50301","DrugType":"small molecule","HalfLife":"","Description":"NP-50301 is an ophthalmic therapeutic eye drop treating post-menopausal Dry Eye Syndrome (DES). It is being developed by Nascent Pharmaceuticals. It is estimated that about 30% of postmenopausal women suffer symptoms of DES, which accounts for over 12 million women in the U.S. The majority of sufferers of DES are postmenopausal women; and clinical research around the world has suggested the benefits of both topical and systemic estrogen therapy in the treatment of DES in this population.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in eye disorders/infections.","Toxicity":"","MechanismOfAction":"NP50301 is an estrogen ester compound believed to act by multiple mechanisms, including influencing the health of the cornea, the meibomian glands and the conjunctiva.","Pharmacodynamics":"Trial results indicate that NP50301 therapy provides a benefit in relieving the signs and symptoms presented by DES in postmenopausal women. Importantly, there were no drug-related serious adverse events in the study.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05665","Name":"SCH-503034","DrugType":"small molecule","HalfLife":"","Description":"SCH-503034 is an investigational oral hepatitis C protease inhibitor. SCH-503034 is being evaluated in a large Phase II study in combination with PEG-INTRON(R) (peginterferon alfa-2b) for the treatment of patients chronically infected with hepatitis C virus (HCV) genotype 1 who were nonresponders to peginterferon and ribavirin combination therapy. It is being developed by the Schering-Plough Corporation.","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"In Phase I studies, SCH 503034 was shown to be safe and well tolerated at all dose levels evaluated, with no dose-related increase in the frequency of adverse events. In a monotherapy study, adverse events with SCH 503034 were mild or moderate and similar to placebo. The most frequently reported adverse event was headache.","MechanismOfAction":"SCH 503034 is an orally active inhibitor of the hepatitis C virus serine protease that inhibits HCV replication. This mechanism is distinct from those of current therapies, thus SCH 503034 represents a novel class of HCV inhibitor.","Pharmacodynamics":"","Absorption":"Rapidly absorbed following oral administration of capsules (mean T\u003csub\u003emax\u003c/sub\u003e = 1 to 2h across doses), and exhibited dose-related increases in C\u003csub\u003emax\u003c/sub\u003e and AUC.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05671","Name":"AC-100","DrugType":"biotech","HalfLife":"","Description":"AC-100 is a novel synthetic peptide derived from an endogenous human protein produced by bone and dental cells (a fragment from matrix extracellular phosphoglycoprotein). It is being developed by Acologix, Inc.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in periodontal disease.","Toxicity":"","MechanismOfAction":"In several preclinical models, AC-100 has demonstrated potent and selective dental tissue and bone formation activity, however the exact mechanism is not known. One study (PMID:15153459) showed that AC-100 enhances dental pulp stem cell (DPSC) proliferation by down-regulating P16, accompanied by up-regulation of ubiquitin protein ligase E3A and human ubiquitin-related protein SUMO-1. Enhanced cell proliferation required intact RGD and SGDG motifs in the peptide. This study shows that AC-100 can promote DPSC proliferation, with a potential role in pulp repair. ","Pharmacodynamics":"In animal models, AC-100 promoted cartilage regeneration. In the study, goats with an osteochondral femoral condylar (knee cartilage) defect were used to evaluate the effects of AC-100 on cartilage regeneration. Cylindrical defects were created in the knee cartilage and were filled with a collagen sponge containing AC-100 at two different doses or a collagen sponge soaked in saline (control group). Post-operative treatments included intra-articular injections of the test articles into the operated knee joint at weeks one, two and three post surgery. Cartilage regeneration was evaluated in one group after 84 days and 168 days in another group. The results demonstrated that the application of AC-100 dose dependently promoted cartilage defect repair. The groups treated with the higher dosage of AC-100 had greater healing outcome scores than the saline control groups. As there was no evidence of an inflammatory response, AC-100 demonstrated a favorable safety profile in the study.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05675","Name":"EP-2104R","DrugType":"biotech","HalfLife":"","Description":"EP-2104R is an imaging pharmaceutical under development for the detection of blood clots. It is the first targeted high-resolution technique designed to visualize blood clots directly. It is being developed by EPIX Pharmaceuticals, Inc.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cardiovascular disorders and thrombosis.","Toxicity":"","MechanismOfAction":"EP-2104R binds specifically to fibrin, a protein present in all blood clots. When bound, it can be detected using a magnetic resonance imaging (MRI) scan.","Pharmacodynamics":"EP-2104R is a gadolinium-based small peptide with high affinity and specificity for human fibrin. Molecular MR imaging with the fibrin-targeted contrast-agent EP-2104R allows selective visualization of acute coronary, cardiac, and pulmonary thrombi.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05679","Name":"CNTO 1275","DrugType":"biotech","HalfLife":"","Description":"CNTO 1275 is the experimental name for the human immunosuppressive drug ustekinumab developed by the biotechnology company Centocor. It is a laboratory-manufactured, monoclonal antibody directed against interleukins IL-12 and IL-23 and presently undergoing clinical trials to determine its safety and effectiveness against the diseases Multiple Sclerosis, Psoriasis, and Psoriatic Arthritis.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"Similar to the immunosuppressive function of Etanercept (Enbrel), CNTO 1275 is designed to interfere with the triggering of the body's inflamatory response through the suppression of certain cytokines. Specifically, CNTO 1275 blocks interleukin IL-12 and IL-23 (via the p40 subunit of IL-12 and IL-23) which help activate certain T-cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05685","Name":"FX06","DrugType":"biotech","HalfLife":"","Description":"FX06 is a naturally occurring peptide derived from the neo-N-terminus of fibrin (Bbeta(15-42)). It prevents leukocyte migration through the gap junctions of endothelial cells. FX06 has proven safe in acute and subchronic toxicological studies and recently entered clinical development. It is being developed by Fibrex Medical Inc.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cardiac reperfusion injury and myocardial infarction.","Toxicity":"","MechanismOfAction":"FX06 has a novel mechanism of action: it is a competitive inhibitor of the binding of fibrin E1 fragments to vascular endothelial (VE)-cadherin. Through this inhibition, it potently blocks the transmigration of inflammatory leukocytes through the endothelial barrier and prevents the downstream release of tissue-damaging mediators.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05687","Name":"BL-1020","DrugType":"small molecule","HalfLife":"","Description":"BL-1020 is a first in class novel compound for the treatment of schizophrenia. It is being developed by BioLineRx (BioLine).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"In radioligand binding studies, BL-1020 displayed strong interaction with dopamine receptors especially D\u003csub\u003e2L\u003c/sub\u003e and D\u003csub\u003e2S\u003c/sub\u003e (K\u003csub\u003ei\u003c/sub\u003e of 0.27 nM and 0.17 nM respectively), the serotonin receptor 5-HY\u003csub\u003e2a\u003c/sub\u003e (K\u003csub\u003ei\u003c/sub\u003e 0.25 nM) as well as moderate interaction with the GABAA receptor (K\u003csub\u003ei\u003c/sub\u003e 3.29 microK).","Pharmacodynamics":"Extensive preclinical testing of BL-1020 has shown it to have a positive safety and pharmacokinetic profile. BL-1020 reduces dopamine activity while avoiding the side affects associated with unmitigated dopamine blockade. In animal models of schizophrenia, BL-1020 reduces behaviors characteristic of psychosis and causes minimal or no impairment of movement, the most severe side effect of classic antipsychotic drugs. Biochemical testing confirms that BL-1020 works via the mechanism previously established for classic antipsychotics. BL-1020 is structurally and mechanistically distinct from the atypical antipsychotics and is not anticipated to trigger diabetes or elevated cholesterol. Preliminary studies do not reveal toxicity.","Absorption":"Orally available.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05688","Name":"CRx-119","DrugType":"small molecule","HalfLife":"","Description":"CRx-119 is a novel synergistic combination drug candidate discovered using the CombinatoRx combination High Throughput Screening (cHTS(TM)) technology with potential therapeutic use in a broad range of immuno-inflammatory conditions. CRx-119 is a combination of a low dose of the steroid prednisolone, 3mg, and amoxapine.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in periodontal disease and rheumatoid arthritis.","Toxicity":"CRx-119 was generally well tolerated and there were no drug-related serious adverse events reported. The most common adverse event observed with CRx-119 was drowsiness, a known side-effect of amoxapine.","MechanismOfAction":"Amoxapine acts by decreasing the reuptake of norepinephrine and serotonin (5-HT). Glucocorticoids such as prednisolone can inhibit leukocyte infiltration at the site of inflammation, interfere with mediators of inflammatory response, and suppress humoral immune responses. The antiinflammatory actions of glucocorticoids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Prednisolone reduces inflammatory reaction by limiting the capillary dilatation and permeability of the vascular structures. These compounds restrict the accumulation of polymorphonuclear leukocytes and macrophages and reduce the release of vasoactive kinins. Recent research suggests that corticosteroids may inhibit the release of arachidonic acid from phospholipids, thereby reducing the formation of prostaglandins. Prednisolone is a glucocorticoid receptor agonist. On binding, the corticoreceptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing an increase or decrease in expression of specific target genes, including suppression of IL2 (interleukin 2) expression.","Pharmacodynamics":"CRx-119 is a novel orally available syncretic drug candidate in clinical development for immunoinflammatory diseases. A syncretic drug comprises two compounds that are designed to act together synergistically through multiple pathways to provide a novel therapeutic effect which neither component alone can achieve. CRx-119 contains a low dose of the steroid prednisolone and amoxapine. The target product profile for CRx-119 is to selectively amplify certain elements of prednisolone's anti-inflammatory and immunomodulatory effects, without replicating steroid toxicity.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05692","Name":"SCH-530348","DrugType":"small molecule","HalfLife":"","Description":"SCH 530348 is new oral antiplatelet drug under development by Schering-Plough for the treatment and prevention of atherothrombotic events in patients with Acute Coronary Syndrome (ACS), previous Myocardial Infarction (MI), stroke, or existing peripheral arterial disease. On the back of successful phase II clinical trials, SCH 530348 has now progressed to phase III development, where it is being evaluated in two large-scale trials involving almost 30,000 cardiac patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders.","Toxicity":"","MechanismOfAction":"SCH-530348 is a thrombin receptor antagonist (TRA). It blocks the platelet PAR-1 receptor to which thrombin binds, thus inhibiting thrombin-induced activation of platelets.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05694","Name":"NBI-56418","DrugType":"small molecule","HalfLife":"","Description":"NBI-56418 is a proprietary, orally active small molecule Gonadotropin-Releasing Hormone (GnRH) receptor antagonist that could diminish bone demineralisation. It is being developed by Neurocrine Biosciences.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in endometriosis.","Toxicity":"","MechanismOfAction":"NBI-56418, is a specific highly potent non-peptide, orally active antagonist of the GnRH receptor. This compound inhibits pituitary luteinizing hormone (LH) secretion directly, potentially preventing the several week delay and flare associated with peptide agonist therapy.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05705","Name":"ALS-08","DrugType":"small molecule","HalfLife":"","Description":"ALS-08 is a proprietary creatine-derivative that is being developed as a potential therapeutic for amyotrophic lateral sclerosis (ALS). It is being developed by Avicena Group, Inc.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in amyotrophic lateral sclerosis (ALS).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"In preclinical models, ALS-08 demonstrated significant neuro-protective effects that have led to increased survival rate, improved motor performance and delayed onset of the disease. It is being tested in combination with two therapies, celecoxib and minocycline, for the treatment of ALS.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05708","Name":"GTS-21","DrugType":"small molecule","HalfLife":"","Description":"GTS-21 (also known as DMBX-A), is a novel, small-molecule, orally active and selective alpha-7 nicotinic acetylcholine (nACh) receptor agonist that has demonstrated memory and cognition enhancement activity in human clinical trials. Athenagen licensed the exclusive rights to the compound and a related library of analogs as part of the acquisition of Osprey Pharmaceutical Company in April 2006. GTS-21 has been studied in multiple Phase I studies in healthy volunteers and one Phase I/II study in schizophrenic patients. In all studies, the compound was well tolerated. In a Phase I multi-dose, double-blind, placebo controlled study in healthy adults, GTS-21 also demonstrated cognitive enhancement across all doses, with a statistically significant improvement in attention related and memory related tasks (Kitagawa, et al. Neuropsychopharmacology (2003), 28, 542-551). ","Classification":{"Description":"This compound belongs to the bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.","DirectParent":"Bipyridines and Oligopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Bipyridines and Oligopyridines"},"Indication":"Investigated for use/treatment in alzheimer's disease and schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"Auditory sensory gating, a biological measurement of the ability to suppress the evoked response to the second of two auditory stimuli, is diminished in people with schizophrenia. Deficits in sensory gating are associated with attentional impairment, and may contribute to cognitive symptoms and perceptual disturbances. This inhibitory process, which involves the alpha(7) nicotinic receptor mediated release of gamma-aminobutyric acid (GABA) by hippocampal interneurons, represents a potential new target for therapeutic intervention in schizophrenia. GTS-21 is an orally active alpha-7 nicotinic acetylcholine (nACh) receptor agonist.","Pharmacodynamics":"","Absorption":"Rapidly and extensively absorbed after oral administration. In rat, GTS-21 showed linear pharmacokinetics over doses ranging from 1 to 10 mg/kg with an absolute bioavailability of 23%. In dog, the absolute bioavailability was 27% at an oral dose of 3 mg/kg.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05710","Name":"Gantacurium Chloride","DrugType":"small molecule","HalfLife":"3.09±0.21 minutes","Description":"Gantacurium Chloride is a new, investigational, non-depolarizing ultra-short acting neuromuscular blocker. It is being developed by Avera Pharmaceuticals.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in anesthesia (unspecified).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Gantacurium chloride administered to anesthetized and ventilated healthy volunteers, caused dose dependent transient decrease in arterial blood pressure, mild histamine release at higher doses and no consistent changes in pulmonary compliance.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05712","Name":"AZD-9684","DrugType":"small molecule","HalfLife":"","Description":"AZD-9684 is the first member of a new anti-thrombotic class (CPU inhibitors). It is being developed by AstraZeneca.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in thrombosis.","Toxicity":"","MechanismOfAction":"AZD-9684 is a Carboxypeptidase U inhibitor (CPUi).","Pharmacodynamics":"AZD-9684 enhances endogenous fibrinolysis.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05713","Name":"LY-517717","DrugType":"small molecule","HalfLife":"","Description":"LY517717 is an investigational oral direct inhibitor of activated Factor Xa. It is believed to be Lilly's PMD-3112 (licensed from Amgen).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in thrombosis and venous thromboembolism.","Toxicity":"","MechanismOfAction":"LY517717, an investigational oral direct inhibitor of activated Factor Xa, appears to interrupt thrombus formation without impairing platelet hemostatic function.","Pharmacodynamics":"LY517717 has been well tolerated in healthy subjects. LY517717 is a blood thinner that may prevent blood clots from forming in the legs and may prevent those blood clots from traveling to the lungs. Leg and lung blood clots occur commonly after patients have surgery to replace a hip or knee joint. These clots often occur while patients are in bed in the hospital after hip or knee joint surgery.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05715","Name":"Genz-112638","DrugType":"small molecule","HalfLife":"","Description":"Genz-112638 is an oral drug that may regulate the Gaucher disease process by decreasing the synthesis of glucosylceramide. It is being developed by the Genzyme Corporation.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in metabolic disease and neurologic disorders.","Toxicity":"","MechanismOfAction":"Genz-112638, a novel ceramide analog given orally, is designed to inhibit the enzyme glucosylceramide synthase, which results in reduced production of glucocerebroside. This is the substance that builds up in the cells and tissues of people with Gaucher disease. In preclinical studies, the molecule has shown high potency and specificity.","Pharmacodynamics":"Gaucher disease is a genetic disease that results in a deficiency of an enzyme acid β-glucosidase, also known as glucocerebrosidase. This enzyme is needed to digest a substrate (lipid) called glucosylceramide and, to a lesser degree, glucosphingosine. In patients with Gaucher disease, the liver, spleen, bone marrow and brain show increases in lipid concentration, specifically in cells derived from the monocyte/macrophage system. Genz-112638 is an oral drug that may regulate the Gaucher disease process by decreasing the synthesis of glucosylceramide.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05718","Name":"Maxy-G34","DrugType":"biotech","HalfLife":"","Description":"MAXY-G34 is a pegylated variant of human granulocyte-colony stimulating factor (G-CSF). This variant contains multiple non-naturally occurring lysines that have been introduced into alpha helixes of wild type human G-CSF as PEGylation sites, and from which multiple undesired, naturally occurring lysines have been removed as compared to wild type human G-CSF to avoid PEGylation of such sites. Specifically, the amino acid sequence of MAXY-G34 differs from that of human wild type G-CSF at residues 16, 34, 40, 105 and 159. This was accomplished by removing the three lysine residues at positions 16, 34 and 40, and replacing them with arginine, and substituting two new lysine residues at positions 105 and 159. MAXY-G34 is pegylated with 5 kd mPEG SPA (succinimidyl propionate) groups at 3 amino acid residues, including PEG groups attached at the amino terminal end of the protein and at two internal lysine residues, while Neulasta has a single 20 Kd PEG group attached at the N terminal end of the wild type G-CSF protein. It is being developed by Maxygen, Inc. for the treatment of chemotherapy-induced neutropenia.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy) and neutropenics.","Toxicity":"","MechanismOfAction":"Neutropenia is a severe decrease in neutrophil cell counts in the blood. Neutropenia is a common side effect of chemotherapeutic treatments for many forms of cancer, including breast cancer, lung cancer, lymphomas and leukemias. Neutropenic patients contract bacterial infections more easily and often, some of which can be life threatening. Further, and most importantly, neutropenic patients may receive reduced or delayed chemotherapy treatment, which can result in cancer progression. Maxy-G34, like natural G-CSF is a protein that stimulates the body's bone marrow to produce neutrophils, a specific type of white blood cell that plays an important role in the defense against bacterial infections.","Pharmacodynamics":"Maxy-G34 is a PEGylated proprietary G-CSF variant designed to be administered as a single subcutaneous injection once per chemotherapy cycle. Maxygen has made changes in the G-CSF gene sequence that code for novel PEGylation sites in the resulting protein. In contrast to the currently marketed PEGylated G-CSF, Maxy-G34 has multiple PEG groups attached at specifically selected sites on the molecule. In several in vivo models, Maxy- G34 has demonstratedimproved pharmacokinetics and pharmacodynamics compared to the currently marketed PEGylated G-CSF.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05719","Name":"Elesclomol","DrugType":"small molecule","HalfLife":"","Description":"Elesclomol is a novel, injectable, drug candidate that kills cancer cells by elevating oxidative stress levels beyond a breaking point, triggering programmed cell death. In preclinical models elesclomol showed potent killing of a broad range of cancer cell types at high doses, and an ability to strongly enhance the efficacy of certain chemotherapy agents, with minimal additional toxicity, at moderate doses. It is being developed by Synta Pharmaceuticals.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"Investigated for use/treatment in melanoma.","Toxicity":"","MechanismOfAction":"Elesclomol acts through a novel mechanism of action. Elesclomol has been shown to rapidly cause a dramatic increase in oxidative stress (ROS) inside cancer cells. The prolonged elevation of ROS inside cancer cells induced by elesclomol causes the cell to exceed a critical breaking point and undergo apoptosis. The triggering of the mitochondrial apoptosis pathway is observed within the first six hours of applying elesclomol. Cancer cells operate at a much higher intrinsic level of ROS than normal cells, and have a greatly reduced anti-oxidant capacity compared to normal cells. This leaves them more vulnerable to an agent such as elesclomol that elevates oxidative stress. In similar experiments at similar doses, elesclomol has been found to have little to no impact on normal cells.","Pharmacodynamics":"Elesclomol is a first-in-class heat shock protein 70 (Hsp70) inducer that activates natural killer (NK) cell-mediated tumor killing. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05722","Name":"CGC-11047","DrugType":"small molecule","HalfLife":"","Description":"CGC-11047 is a polyamine analog designed to halt cell growth and induce apoptosis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in lymphoma (unspecified), macular degeneration, prostate cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"The mechanism of action of CGC-11047 is unknown but it is believed to block the growth of cancer cells by blocking the production of new DNA in the cancer cells.","Pharmacodynamics":"CGC-11047 is a polyamine analog with anti-proliferative properties. Polyamines are cell components considered essential for cell proliferation and differentiation. They are believed to work by displacing polyamines from their natural binding sites and preventing cell replication. CGC-11047 has been very well-tolerated in Phase I clinical trials and has demonstrated promising activity in patients with advanced disease.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05723","Name":"ALKS 29","DrugType":"small molecule","HalfLife":"","Description":"ALKS 29 is a new product candidate for the treatment of alcohol dependence. It is being developed by Alkermes, Inc.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in addictions and alcohol dependence.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"ALKS 29 is a combination of two agents with distinct pharmacologic properties designed to provide advantages over current oral medications for the treatment of alcohol dependence. In the study, ALKS 29 was generally well tolerated and led to both a statistically significant increase in the percent of days abstinent and a decrease in drinking compared to placebo when combined with psychosocial therapy.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05730","Name":"PMI-001","DrugType":"small molecule","HalfLife":"","Description":"PMI-001 is a stand-alone, disease-modifying, anti-rheumatic drug (DMARD) being developed by Phytomedics Inc. It is an extract of the roots of an undisclosed perennial shrub which interferes with the production of IL-2 and COX-2 proteins, for the potential treatment of autoimmune diseases, such as rheumatoid arthritis, lupus erythematosus and psoriasis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"PMI-001 exerts its potent anti-inflammatory and immunosuppressant activities through unique and synergistic modes of action, which involves potent inhibition of several families of pro-inflammatory genes. PMI-001 most likely interferes with the production of IL-2 and COX-2 proteins.","Pharmacodynamics":"PMI-001 is a novel, orally bioavailable, small-molecule-based, plant-derived, multi-component disease modifying agent currently being developed for rheumatoid arthritis. Potential applications of this drug candidate beyond rheumatoid arthritis include a wide range of autoimmune disorders including psoriasis, lupus, inflammatory bowel disease (IBD), and multiple sclerosis (MS).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05732","Name":"Strontium malonate","DrugType":"small molecule","HalfLife":"","Description":"Strontium malonate is being developed as a novel orally available pharmaceutical for the treatment and prevention of osteoporosis. It is being developed by Osteologix Inc.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in osteoporosis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Strontium is known to have a positive effect on bone by concomitantly increasing bone formation while decreasing bone resorption thereby providing a sustained skeletal benefit. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05736","Name":"MIV-701","DrugType":"small molecule","HalfLife":"","Description":"MIV-701 is a selective, potent inhibitor of the protease Cathepsin K. It is developed for the treatment of osteoporosis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in osteoporosis.","Toxicity":"","MechanismOfAction":"MIV-701 inhibits an enzyme, cathepsin K, which degrades bone, but most probably also contributes to cartilage damage in joint diseases. It greatly reduces degradation of bone.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05738","Name":"vapitadine dihydrochloride","DrugType":"small molecule","HalfLife":"","Description":"Vapitadine dihydrochloride is an antihistamine that Barrier Therapeutics is developing as a treatment for allergic reactions of the skin, such as those associated with hives and for the itch associated with atopic dermatitis. An advantage of vapitadine dihydrochloride over other antihistamines may be the absence of the sedation, even at high doses.","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"Investigated for use/treatment in atopic dermatitis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05739","Name":"CYT006-AngQb","DrugType":"biotech","HalfLife":"4 months","Description":"CYT006-AngQb is a therapeutic vaccine in development for treatment of hypertension. It is designed to instruct the patient’s immune system to produce an antibody response against angiotensin II, a small peptide that causes blood vessels to narrow and results in increased blood pressure. It is a unique treatment modality that aims to address the issue of patient compliance by offering convenient dosing schedules due to the long-lasting effect induced by vaccination.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hypertension.","Toxicity":"","MechanismOfAction":"The so called renin-angiotensin system (RAS) is an important regulator of blood pressure and has already been successfully targeted by three major classes of\r\nantihypertensive drugs: by ACE inhibitors, by ARBs and by renin inhibitors. However, like other antihypertensives, they all have to be self-administered daily and don't\r\nprovide a good solution for improving patient compliance. CYT006-AngQb is a therapeutic vaccine designed to instruct\r\nthe patient’s immune system to produce a specific anti-angiotensin II antibody response. Angiotensin II is a small hormone in the body and part of the RAS. It causes blood vessels to narrow, resulting in an increase in blood pressure. Vaccination of humans with CYT006-AngQb has been shown to induce angiotensin II specific antibodies that should inhibit binding of angiotensin II to its receptors\r\nand thus reduce the narrowing of blood vessels. As first clinical data indicate, the achieved blood pressure reduction was particularly pronounced in the early morning when the vaccine effect suppressed the naturally occurring morning rise in blood pressure.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05740","Name":"RPI-78M","DrugType":"small molecule","HalfLife":"","Description":"RPI-78M is being developed for the treatment of multiple sclerosis (MS). Other neurological disorders that may be served by RPI-78M include myasthenia gravis (MG), muscular dystrophy (MD) and amyotrophic lateral sclerosis (ALS).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in multiple sclerosis, neurologic disorders, and pain (acute or chronic).","Toxicity":"","MechanismOfAction":"RPI-78M contains anticholinergic peptides that recognize the same receptors as nicotine (acetylcholine receptors) but have the opposite effect.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05741","Name":"AGS-005","DrugType":"small molecule","HalfLife":"","Description":"AGS-005 is a personalized dendritic cell-based immunotherapy, with optimized immune response characteristics, that is designed to stimulate the patient's immune system to target and destroy the patient's cancer cells.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in leukemia (lymphoid).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05742","Name":"AGS-004","DrugType":"small molecule","HalfLife":"","Description":"AGS-004 is a personalized RNA-loaded dendritic cellbased\r\nimmunotherapy that is designed to stimulate the patient’s immune system to target and destroy the patient’s own unique viral burden. Non-personalized HIV immunotherapies are unable to raise cytotoxic T lymphocytes against HIV antigens, fail to induce T cell memory, and, most importantly, do not provide antiviral protection against the patient's own particular virus. A personalized immunotherapy addresses these issues because it is able to capture private viral mutations, providing a matched, complete immune response for each individual HIV patient. This approach may overcome the weaknesses of other available therapies and therefore could result in a better chance of success for HIV treatment.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05743","Name":"MAP-0004","DrugType":"small molecule","HalfLife":"","Description":"MAP-0004 is a proprietary orally inhaled version of dihydroergotamine, or DHE, intended to treat migraine. Study showed that MAP-0004 provided pain relief as early as within ten minutes of dosing, and that this relief was sustained through at least 24 hours. The study also demonstrated efficacy trends in treating nausea, photophobia and phonophobia. Based on these results, as well as independent research that concludes that patients prefer migraine therapies providing fast onset, pain relief, sustained pain relief and safety, the company believes that MAP-0004 has the potential to be a first-line therapy for migraine patients. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in migraine and cluster headaches.","Toxicity":"","MechanismOfAction":"Two theories have been proposed to explain the efficacy of MAP-0004 in migraine: 1) activation of 5-HT1D receptors located on intracranial blood vessels, including those on arterio-venous anastomoses, leads to vasoconstriction, which correlates with the relief of migraine headache and 2) activation of 5-HT1D receptors on sensory nerve endings of the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release.","Pharmacodynamics":"MAP-0004 is indicated for the acute treatment of migraine headaches with or without aura and the acute treatment of cluster headache episodes. MAP-0004 binds with high affinity to 5-HT1Da and 5-HT1Db receptors. It also binds with high affinity to serotonin 5-HT1A, 5-HT2A, and 5-HT2C receptors, noradrenaline a2A, a2B and a receptors, and dopamine D2L and D3 receptors. The therapeutic activity of MAP-0004 in migraine is generally attributed to the agonist effect at 5-HT1D receptors.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05744","Name":"CRx-139","DrugType":"small molecule","HalfLife":"","Description":"CRx-139 is an oral synergistic combination drug candidates with novel mechanisms of action targeting multiple biological pathways simultaneously. It is a dissociated steroid designed to enhance the immuno-modulatory activity of a low-dose glucocorticoid steroid without a comparable increase in steroid-related side effects. The synergistic combination containing low doses of the glucocorticoid steroid prednisolone and the antidepressant paroxetine. This novel synergistic combination is developed for the treatment of immuno-inflammatory diseases.\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"CRx-139 inhibits certain pro-inflammatory biomarkers, such as TNF-alpha, IL-6 and CRP and increases the anti-inflammatory cytokine IL-10.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05745","Name":"CHR-2797","DrugType":"small molecule","HalfLife":"","Description":"CHR-2797 is an inhibitor of the M1 family of aminopeptidases, in particular PuSA, and LTA4 hydrolase. It has demonstrated anti-tumour activity in a number of models of cancer, both as a single agent and in synergy with cytotoxic agents such as carboplatin and paclitaxel. It entered the clinical trial in patients with haematological malignancies.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in leukemia (myeloid) and solid tumors.","Toxicity":"","MechanismOfAction":"CHR-2797 is anti-proliferative agent which induces apoptosis in leukemic cell lines in vitro. The mechanism underlying these anti-cancer actions is unclear, particularly since normal cells are much less sensitive to the agents than transformed cells. It exerts potent anti-proliferative, pro-apoptotic and anti-angiogenic effects in vitro and shows selectivity for transformed over non-transformed cells. It inhibits a number of M1 aminopeptidase enzyme family members in vitro (eg puromycin-sensitive aminopeptidase (PSA), leukotriene A4 hydrolase (LTA4H)).","Pharmacodynamics":"CHR-2797 has pleiotropic effects against a range of human tumor cell lines originating from diverse tumor types in\r\nvitro and in vivo","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05746","Name":"PF-03187207","DrugType":"small molecule","HalfLife":"","Description":"PF-03187207 is a nitric oxide-donating prostaglandin F2-alpha analogs for the potential treatment of glaucoma. Based on the very promising preclinical results and on the well-known activities of nitric oxide, PF-03187207 is expected to have an increased capacity to reduce high IOP. The development of abnormally high IOP, due to blockage or malfunction of systems controlling the amount of fluid in the eye, is believed to be one of the principal causes of glaucoma.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in glaucoma and ocular hypertension.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05747","Name":"R-851","DrugType":"small molecule","HalfLife":"","Description":"R-851 is part of the family of immune response modifier (IRM) and it acts in a novel way to stimulate the human body's immnune system to attack virus-infected cells and tumor cells. It is expected to be topical treatment for cervical displasia and cervical high-risk human papillomavirus (HPV), the sexually transmitted virus that causes most cases of cervical cancer.\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cervical dysplasia/cancer and viral infection.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05748","Name":"NB-002","DrugType":"small molecule","HalfLife":"","Description":"NB-002 is a drug candidate for the topical treatment of onychomycosis, a fungal infection of the fingernail and toenail. It is a topical oil-in-water nanoemulsion combined with an antimicrobial agent commonly used in oral products to treat gingivitis and other conditions of the mouth and throat. The nanoemulsion undergoes a high-energy process to shrink or “nano-size” the particles so they are small enough to enter the skin through pores and hair follicles but too large to penetrate the tight junctions of the epithelium. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in onychomycosis.","Toxicity":"","MechanismOfAction":"NB-002 is a unique topical oil-in-water emulsion composed of high-energy, positively charged, nanometer-sized antifungal particles. The nanoparticles traverse the pores and hair follicles without irritating the epithelium or being absorbed systemically. They bind to the lipids in the fungal cell membrane, disrupting the membrane and lysing the cell. This physical process has a lower risk for the development of drug resistance than a biochemical approach. Unlike current antifungals, NB-002 also kills the resting (spore) form of the fungi by inducing germination, limiting the potential for disease recurrence.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05749","Name":"MPI-674","DrugType":"small molecule","HalfLife":"","Description":"MPI-674 is an aromatase inhibitor (AI) with a well-established, multi-year chronic safety and tolerability profile. AIs are a class of drugs that reduce the amount of estrogen circulating in the body by binding to and inhibiting the enzyme aromatase, which is responsible for converting certain hormones to estrogen. It is developed for the treatment of several serious women’s health conditions including endometrial thinning prior to endometrial ablations in premenopausal women with abnormal uterine bleeding (AUB).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in menstrual disorders.","Toxicity":"","MechanismOfAction":"MPI-674 is an aromatase inhibitor (AI). It reduces the amount of estrogen circulating in the body by binding to and inhibiting the enzyme aromatase, which is responsible for converting certain hormones to estrogen.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05750","Name":"AVE-1625","DrugType":"small molecule","HalfLife":"","Description":"AVE-1625 is an oral selective and potent antagonist of cannabinoid 1 (CB1) receptors having the same mechanism of action as rimonabant. It is currently developed in obesity and its associated comorbidities. AVE-1625 is also being developed for the treatment of Alzheimer disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease, obesity, and schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"AVE-1625 is a selective and potent antagonist of cannabinoid 1 (CB1) receptors having the same mechanism of action as rimonabant.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05751","Name":"RP01","DrugType":"small molecule","HalfLife":"","Description":"RP01 is a novel anti-IgE immunotherapy for allergic individuals. It is designed to induce the immune system to produce antibodies that block Immunoglobulin E (IgE), the key mediator of an allergic response. It could offer benefit to millions of asthma and allergy patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in allergic reaction and asthma.","Toxicity":"","MechanismOfAction":"RP01 is a novel immunotherapeutic that stimulates the immune system to produce antibodies against IgE (Immunoglobulin E), the key mediator of allergic reactions. The antibodies intercept and bind to IgE, thereby blocking it from causing allergic reactions. Such a mechanism of action is potentially effective regardless of the trigger, be it pollen, grass, dust mite, foodstuffs or pets.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05752","Name":"ALKS 27","DrugType":"small molecule","HalfLife":"","Description":"ALKS 27 is an inhaled formulation of trospium chloride for the treatment of chronic obstructive pulmonary disease (COPD). Study showed that ALKS 27 was well-tolerated over a wide dose range, with no dose-limited effects observed.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in chronic obstructive pulmonary disease (COPD).","Toxicity":"","MechanismOfAction":"ALKS 27 is a muscarinic receptor antagonist that relaxes smooth muscle tissue and has the potential to improve airflow in patients with chronic obstructive pulmonary disease (COPD).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05753","Name":"VSF-173","DrugType":"small molecule","HalfLife":"","Description":"VSF-173 is an oral small molecule. It is an oral compound that has demonstrated effects on animal sleep/wake patterns and gene expression patterns suggestive of a stimulant effect. It is developed for the treatment of excessive sleepiness. Study shows that VSF-173 possesses a novel mechanism to address disorders of excessive sleepiness.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in sleep disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05754","Name":"IPH 1101","DrugType":"small molecule","HalfLife":"","Description":"IPH 1101 is a chemically-synthesized structural analog of non-conventional bacterial phosphoantigens which specifically activate the Vγ9Vδ2 T cell subset. IPH 1101 is the most advanced drug candidate of the γδ T cell platform","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C), leukemia (myeloid), and lymphoma (non-hodgkin's).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"IPH 1101 potentiates the direct cytotoxic activity of Vγ9Vδ2 T cells against a large number of tumor cell lines and also triggers the synthesis of pro-inflammatory cytokines - thus inducing the recruitment of other cell effectors and facilitating implementation of an adaptive response.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05755","Name":"BF-37","DrugType":"small molecule","HalfLife":"","Description":"BF-37 for the treatment of atopic dermatitis and/or psoriasis. The active ingredient in BF-37 is Riluzole, applied in a topical formulation, which is believed to correct the imbalances of the immune system that cause atopic dermatitis or psoriasis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in atopic dermatitis.","Toxicity":"","MechanismOfAction":"BF-37 inhibits the proliferation of T-cells. An increased proliferation of these immune cells is believed to cause atopic dermatitis. Biofrontera assumes that BF-37 interferes directly with cellular processes of the immune systems of the skin, thereby diminishing the inflammation that underlines the reddening and itching.","Pharmacodynamics":"BF-37 interferes directly with cellular processes of the immune system of the skin, thereby diminishing the inflammation that underlies the reddening and itching.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05756","Name":"PAC-113","DrugType":"small molecule","HalfLife":"","Description":"PAC-113 an anti-fungal, for the treatment of oral candidiasis infections. It is a 12 amino-acid antimicrobial peptide derived from a naturally occurring histatin protein found in saliva. In vitro studies demonstrate that it has potent anti-fungal activity against the Candida albicans, including drug-resistant HIV patient isolates. PAC-113 is targeting oral Candida infections in immunocompromised patients and patients with salivary dysfunction.\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in candidiasis, fungal infections, and saliva and salivary gland dysfunction.","Toxicity":"","MechanismOfAction":"PAC-113 is an amphipathic molecule that interacts with fungal cell membranes, altering permeability which causes cytoplasmic leakage and cell death. It also interacts with fungal mitochondria causing production of reactive oxygen species and fungal cell destruction. This activity is unique to histatin proteins. In addition, PAC-113 is active against growing cells, stationary phase cells and fungal biofilms. Rapid fungal lysis of fungal cells in a wide range of growth states may affect a more rapid and complete clinical cure.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05757","Name":"DNB-001","DrugType":"small molecule","HalfLife":"","Description":"DNB-001 is a first-in-class oral therapy with dual mechanism of action, which is initially being developed for the treatment of glaucoma. In preclinical animal models, DNB-001 has demonstrated potent IOP- lowering effects as well as neuroprotective effects on the optic nerve.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in ocular hypertension.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05758","Name":"CYT007-TNFQb","DrugType":"biotech","HalfLife":"","Description":"CYT007-TNFQb is an active immunization therapy that aims at\r\nproviding a novel treatment to people suffering from RA or psoriasis. The vaccine should allow for administration of low\r\namounts of drug to individual patients (in the microgram range) and for convenient dosing schedules.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"CYT007-TNFQb is designed to instruct the patient’s immune system to produce an anti-TNF-α antibody response. The induced antibodies aim to bind and neutrolize soluble TNF-α in order to inhibit its inflammatory activity. That way, the subsequent inflammatory process should be slowed down and the deterioration of skin or other tissues reduced.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05759","Name":"IMC-A12","DrugType":"biotech","HalfLife":"148 h (3 mg/kg dose level)\r\n209 h (6mg/kg dose level)","Description":"IMC-A12 is a highly specific recombinant human monoclonal antibody with high affinity for the insulin-like growth factor-I receptor (IGF-IR). IGF-IR is overexpressed in a variety of tumour types. It is developed for the treatment of advanced solid tumors.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in colorectal cancer and prostate cancer.","Toxicity":"","MechanismOfAction":"IMC-A12 is a fully human monoclonal antibody that specifically targets the type 1 human insulin-like growth factor receptor (IGF-IR). Tumors have receptors for the insulin-like growth factor-1 (IGF-I), and it is thought that the presence of these receptors cause tumors to grow. IMC-A12 attaches to the receptors and may inhibit the growth of cancer cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05760","Name":"MK-0974","DrugType":"small molecule","HalfLife":"","Description":"MK-0974 is an antagonist of the receptor for calcitonin gene-related peptide (CGRP), a primary neuropeptide involved in the pathophysiology of migraine. CGRP and its receptors are found in areas of the central and peripheral nervous system that are important for the transmission of migraine pain. During migraine attacks, CGRP activates these receptors and facilitates the transmission of pain impulses. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in migraine and cluster headaches.","Toxicity":"","MechanismOfAction":"MK-0974 blocks the binding of CGRP to receptors within the areas of the central and peripheral nervous system that are important for the transmission of migraine pain and thereby is believed to inhibit the transmission of pain signals that lead to migraine headaches.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05761","Name":"ASF-1096","DrugType":"small molecule","HalfLife":"","Description":"ASF-1096 is a topically administered anti-inflammatory and immunomodulating substance for the treatment of cutaneous forms of lupus erythematosus, especially discoid lupus. It is the R-enantiomer of salbutamol formulated as a cream. ASF-1096 holds promising therapeutic potential in cutaneous lupus treatment due to a unique pharmacodynamic property giving rise to inhibition of expression of various inflammatory genes.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in skin infections/disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05764","Name":"ABT-263","DrugType":"small molecule","HalfLife":"14-25 hours","Description":"ABT-263 is an orally bioavailable small molecule inhibitor of Bcl-2 family proteins. It is a substance being studied in the treatment of lymphomas and other types of cancer. It blocks some of the enzymes that keep cancer cells from dying.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in lung cancer and lymphoma (unspecified).","Toxicity":"","MechanismOfAction":"ABT-263 targets the Bcl-2 family of proteins, the major negative regulators of apoptosis. The Bcl-2 proteins, including Bcl-2, Bcl-xL, and Bcl-w, work by binding to two other groups of proteins-the executioners (Bax, Bak) that actually start the destruction pathway, and the sentinel proteins. Cancer cells frequently overexpress the Bcl-2-like proteins, and thus, when they sustain DNA damage-from radiation, for example-they continue growing. Preventing the Bcl-2-like proteins from binding to the executioners might be able to trigger cell death in the tumor.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05765","Name":"ATX-201","DrugType":"small molecule","HalfLife":"","Description":"ATX-201 is one of a family of novel compounds that inhibits microtubule polymerization. It is developed by Kythera Biopharmaceuticals, Inc. for the treatment of actinic\r\nkeratosis. The company announced the decision to discontinue its ATX-201 clinical program for actinic keratosis. The Company determined that the program was not meeting their expected primary and exploratory objectives.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in actinic keratosis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05766","Name":"ACP-104","DrugType":"small molecule","HalfLife":"","Description":"ACP-104, or N-desmethylclozapine, is the major metabolite of clozapine, and is being developed by ACADIA as a novel, stand-alone therapy for schizophrenia. It combines an atypical antipsychotic efficacy profile with the added potential benefit of enhanced cognition, thereby addressing one of the major challenges in treating schizophrenia today.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"ACP-104 combines M1 muscarinic agonism, 5-HT2A inverse agonism, and D2 and D3 dopamine partial agonism in a single compound. ACP-104 uniquely stimulates brain cells known as M1 muscarinic receptors that play an important role in cognition. ACP-104 is a partial-agonist that causes weak activation of dopamine D2 and D3 receptors. These partial agonist properties of ACP-104 may lead to less motoric side effects than seen with most other antipsychotic drugs.","Pharmacodynamics":" ACP-104 is a small molecule drug candidate we are developing as a novel therapy for schizophrenia. It is known that large amounts of ACP-104, or N-desmethylclozapine, are formed in the body after administration of clozapine. That is, clozapine is metabolized to ACP-104. We discovered that ACP-104 has a unique ability to stimulate m1 muscarinic receptors, a key muscarinic receptor. The m1 muscarinic receptors are widely known to play an important role in cognition. Since clozapine itself blocks the m1 muscarinic receptor, patients need to extensively metabolize clozapine into ACP-104 to stimulate this receptor and thereby overcome the blocking action of clozapine. Administration of ACP-104 will avoid the variability of this metabolic process and the competing action of clozapine. Like clozapine, ACP-104 is a dopamine antagonist and a 5-HT2A inverse agonist. We believe that ACP-104 represents a new approach to schizophrenia therapy that combines an atypical antipsychotic efficacy profile with the added advantage of beneficial cognitive effects.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05767","Name":"HMPL-004","DrugType":"small molecule","HalfLife":"","Description":"HMPL-004 is a botanical product extracted from a herb that occurs naturally in China. The herb has an extensive history of use in TCM for the treatment of upper respiratory tract infections and other inflammatory and infectious diseases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in ulcerative colitis.","Toxicity":"","MechanismOfAction":"HMPL-004 acts on multiple cellular targets in the inflammatory signal transduction pathways resulting in suppressed inflammation cytokine expression including TNF-α, IL-1β and IL-6. HMPL-004 was demonstrated to inhibit TNF-α and IL-1β production in cell-based assays. HMPL-004 is also able to inhibit NF-kB activation. NF-kB is a family of transcriptional factors that regulate a wide spectrum of genes critically involved in host defence and inflammation. The mechanism of action of HMPL-004 was further supported in laboratory IBD animal models. Treatment of IBD rats with HMPL-004 caused a significant drop in plasma cytokine concentrations, including TNF-α and IL-1β.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05768","Name":"Alkaline Phosphatase","DrugType":"small molecule","HalfLife":"","Description":"Alkaline Phosphatase (AP) is an oral treatment and has a very\r\nfavorable side-effect profile. AP only acts locally in the colon to reduce the continuous inflammation of the colon by endotoxin from Gram-negative bacteria and extracellular ATP in UC patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in ulcerative colitis.","Toxicity":"","MechanismOfAction":"Two substrates that can disturb the homeostasis in\r\nhuman organs are endotoxin from Gram-negative bacteria (LPS) and adenosine triphosphate (ATP). Dephosphorylation of LPS and extracellular ATP by AP has been shown to result in restoration of homeostasis in the target organs such as GI tract and kidney, through reduction of inflammationinduced\r\ndamage. In the gastrointestinal tract, the prime source of LPS is derived from the residing Gram-negative microorganisms. In UC patients the mucosal surface of the colon wall is characterized by intermittent lesions and hyperpermeability caused by chronic inflammation. A consequence of the damaged intestinal mucosa is a reduced AP level and an increased influx of LPS responsive cells that\r\nmaintain the inflammatory response. In the gastrointestinal tract, the prime source of LPS is derived from the residing Gram-negative microorganisms. AP reduces LPS-mediated\r\ninflammation, by preventing activation of the intestinal epithelium and preventing systemic inflammatory responses that result from transmigration of endotoxin though the\r\nleaky inflamed intestinal mucosa.","Pharmacodynamics":"Patients with UC have reduced AP levels and activity in the inflamed tissue in the intestines. A short treatment with AP helps to restore the intestinal mucosal barrier in UC patients, which can be classified as a disease modifying antiinflammatory effect.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05769","Name":"LCP-AtorFen","DrugType":"small molecule","HalfLife":"","Description":"LCP-AtorFen is a fixed-dose combination therapy for the treatment of high cholesterol levels combining atorvastatin (the active ingredient of Lipitor®) and the lowest dose of fenofibrate without food effect. LCP-AtorFen is designed to be a once daily tablet offering a powerful and safe treatment of high cholesterol levels, addressing three primary cardiovascular risk factors: low density lipoprotein cholesterol (LDL-C), high density lipoprotein cholesterol (HDL-C) and triglycerides (TG).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hyperlipidemia.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05771","Name":"LLL-3348","DrugType":"small molecule","HalfLife":"","Description":"The botanical drug product LLL-3348 is a once-daily oral formulation for treatment of chronic stable plaque type psoriasis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in psoriasis and psoriatic disorders.","Toxicity":"","MechanismOfAction":"LLL-3348 acts by enhancing IL-10.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05772","Name":"Rob 803","DrugType":"small molecule","HalfLife":"","Description":"Rob 803 is an orally administered compound for treatment of moderate or severe active rheumatoid arthritis that is currently undergoing phase II clinical testing in eight European countries.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Rob 803 is an immunomodulator.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05773","Name":"ado-trastuzumab emtansine","DrugType":"small molecule","HalfLife":"Ado-trastuzumab emtansine has a long half life of about 4 days.","Description":"Ado-trastuzumab emtansine, formerly called Trastuzumab-DM1 (T-DM1) as an investigational drug, is a first-in-class HER2 antibody drug conjugate (ADC) comprised of Genentech's trastuzumab antibody linked to ImmunoGen's cell-killing agent, DM1. T-DM1 combines two strategies-- anti-HER2 activity and targeted intracellular delivery of the potent anti-microtubule agent, DM1 (a maytansine derivative)--to produce cell cycle arrest and apoptosis. Ado-trastuzumab emtansine is marketed under the brand name Kadcyla and is indicated for use in HER2-positive, metastatic breast cancer patients who have already used taxane and/or trastuzumab for metastatic disease or had their cancer recur within 6 months of adjuvant treatment. The FDA label has two precautions. First that ado-trastuzumab emtansine and trastuzumab cannot be interchanged. Second that there is a black box warning of serious side effects such as hepatotoxicity, embryo-fetal toxicity, and cardiac toxicity. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in HER2-positive, metastatic breast cancer patients who have already used taxane and/or trastuzumab for metastatic disease or had their cancer recur within 6 months of adjuvant treatment.\r\n\r\n","Toxicity":"The FDA label includes a black box warning of serious side effects such as hepatotoxicity, embryo-fetal toxicity, and cardiac toxicity. ","MechanismOfAction":"Ado-trastuzumab emtansine is a HER2 antibody drug conjugate. The antibody portion is trastuzumab, which is humanized anti-HER2 IgG1, and produced in the mammalian Chinese Hamster Ovary cells. The drug portion is DM1, which is a maytansine derivative that inhibits microtubules. These two portions are covalently connected by 4-[N-maleimidomethyl] cyclohexane-1-carboxylate (MCC), which is a stable thioether linker. Together MCC and DM1 are called emtansine and are produced by chemical synthesis.\r\nAdo-trastuzumab emtansine binds to the HER2 receptor’s sub-domain IV and goes into the cell by receptor-mediated endocytosis. Lysosomes degrade ado-trastuzumab emtansine and release DM1. DM1 binds to tubulin in microtubules and inhibits microtubule function producing cell arrest and apoptosis. As well, similar to trastuzumab, in vitro studies have shown that both HER2 receptor signalling inhibition and antibody-dependent cytotoxicity are mediated by ado-trastuzumab emtansine.\r\n\r\n","Pharmacodynamics":"Ado-trastuzumab emtansine was evaluated in two Herceptin-responsive and one Herceptin-resistant breast tumor models. In the Herceptin-responsive models, Trastuzumab-DM1 caused complete tumor regression in all mice, whereas Herceptin alone slowed tumor growth. In the Herceptin- resistant model, Herceptin alone had no effect on tumor growth. In contrast, Trastuzumab-DM1 caused \u003e90% tumor reduction in all mice. In this Herceptin- resistant model, tumor regrowth was observed after cessation of Trastuzumab- DM1 treatment, yet regression re-occurred when dosing was resumed. The effect was specific for HER2-positive tumors. Thus the physiological effects of ado-trastuzumab emtansine are cell cycle arrest and cell death by apoptosis. ","Absorption":"The absorption/ bioavailability should be close to 100% since ado-trastuzumab emtansine is administered IV.","Interactions":[{"ID":"DB08879"},{"ID":"DB00363"},{"ID":"DB00108"},{"ID":"DB00252"},{"ID":"DB00337"},{"ID":"DB00864"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB05774","Name":"IMC-11F8","DrugType":"small molecule","HalfLife":"","Description":"IMC-11F8 is a fully human IgG1 monoclonal antibody that blocks the ligand binding site of EGFR that is involved in triggering and regulating the malignant growth of many EGFR-expressing epithelial tumors. IMC-11F8 is developed for the treatment of advanced colorectal cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in colorectal cancer.","Toxicity":"","MechanismOfAction":"IMC-11F8 is a fully human monoclonal antibody that is designed to bind to the EGFR, thereby inhibiting certain ligands known as growth factors from binding to and activating the receptor. This action blocks a signal pathway key to tumor growth and repair and has also been shown to induce cell death, or apoptosis, in human tumors in animal models.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05775","Name":"CRx-401","DrugType":"small molecule","HalfLife":"","Description":"CRx-401 is a novel insulin sensitizer designed to provide anti-diabetic activity without promoting weight gain. It consists of a low dose of the analgesic diflunisal in conjunction with a modified-release therapeutic dose of bezafibrate, an anti-cholesterol agent. In third-party clinical studies, the dose of bezafibrate contained in CRx-401 has been observed to have a positive impact on cellular pathways that influence glycemic and lipid profiles, and this dose has proven to be well tolerated in clinical trials. Unlike other NSAIDs, or non-steroidal anti-inflammatory drugs, the dose of diflunisal in CRx-401 has demonstrated in preclinical studies the ability to synergistically enhance the anti-diabetic effects of bezafibrate through novel disease-targeted mechanisms.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"CRx-401 has a novel mechanism of action that reduces hyperglycemia while improving HDL and triglyceride levels without promoting weight gain.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05776","Name":"IC41","DrugType":"biotech","HalfLife":"","Description":"IC41 is a therapeutic peptide vaccine. It is being devloped by Intercell AG for the treatment of hepatitis C. The vaccine consists of five synthetic peptides (IPEP83, 84, 87, 89,1426) harboring HCV CD4 and CD8 T-cell epitopes and the synthetic adjuvant poly-L-arginine. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"IC41 is able of inducing a significant proliferative response in chronic HCV patients. IC41 can induce interferon gamma secreting T-cells in chronic HCV patients. Interferon gamma secretion is a hallmark of type I T-cell responses. Such responses are seen during the acute phase of infection in the subset of HCV patients, who eliminate the virus and do not proceed to chronic infection. Induction of type I T-cell responses as achieved by IC41 is a primary goal of therapeutic vaccination against HCV.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05777","Name":"ART-123","DrugType":"small molecule","HalfLife":"2–3 days after sc injection; \r\n19.82 +/- 2.10 hours after IV injection","Description":"ART-123 is a novel, recombinant and soluble thrombomodulin (ART-123). It is a human protein with both thrombin inhibiting and protein C stimulating activities, for the potential treatment of thromboembolism and blood clotting disorders, such as disseminated intravascular thromboembolism. (PMID: 12211414)","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in blood preservative, blood (blood forming organ disorders, unspecified), sepsis and septicemia, and thrombosis.","Toxicity":"","MechanismOfAction":"ART-123 is a soluble form of recombinant human thrombomodulin comprising all extracellular domains of thrombomodulin. Bound to thrombin, ART-123 inhibits its procoagulant activity and promotes activation of protein C. ART-123 inhibits thrombin generation by the activation of protein C and the subsequent inactivation of factor Va in the presence of protein S. ART-123 attenuates the extension of the clot by inhibiting further thrombin generation on clots, while other anticoagulants inhibit the initiation of clot formation. A higher concentration of ART-123 is needed to affect clotting time and platelet aggregation than thrombin generation. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05778","Name":"Col-118","DrugType":"small molecule","HalfLife":"","Description":"COL-118, a topical compound based on the SansRosa technology, for the treatment of redness associated with rosacea and other skin disorders. It is a believed to reduce erythema by constricting enlarged blood vessels in facial tissue. Col-118 is a unique formulation and presentation of Brimonidine, which is a selective alpha-2 adrenergic receptor agonist.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in skin infections/disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05779","Name":"oglufanide disodium","DrugType":"small molecule","HalfLife":"","Description":"Oglufanide disodium is a synthetic dipeptide immunomodulator in development for the treatment of chronic hepatitis C viral infection.\r\nOglufanide disodium was originally developed to treat severe infectious disease in Russia (where it is a registered pharmaceutical), and was extensively studied in cancer clinical trials in the United States before being acquired by Implicit Bioscience in 2005.\r\nOglufanide disodium works as a regulator of the body's immune response, is being given by intranasal administration to patients with chronic hepatitis C viral infection.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Oglufanide disodium regulates the body's innate immune response to defeat invading germs and cancer cells. It may control or reverse the suppression of the immune system which the hepatitis virus uses to defeat our normally healthy defenses.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05780","Name":"ATX-101","DrugType":"small molecule","HalfLife":"","Description":"ATX-101 (medical), sodium deoxycholate for subcutaneous injection, is being evaluated as a treatment for the reduction of localized fat deposits. This includes treatment of superficial lipomas (benign tumors of soft tissue composed of mature fat cells), fat deposits in the submental region of the face/neck, and localized fat deposits in other parts of the body. Deoxycholic acid is a naturally occurring bile acid produced by the liver as one of several end products of cholesterol metabolism. As a naturally occurring component of the human body, deoxycholate is considered a ‘biocompatible’ detergent that solubilizes fat in the small intestine. ATX-101 demonstrates a relative selectivity for fat over other tissues.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05781","Name":"AC-1202","DrugType":"small molecule","HalfLife":"","Description":"AC-1202 is a first-in-class therapeutic that targets neuronal cells in the brain and acts to increase mitochondrial activity. Numerous studies have shown that energy metabolism and lipid homeostasis are impaired in neuronal cells within the hippocampal region of the brain where memory and cognition are processed. Research has shown that AC-1202 lowers oxidative stress in the brain while increasing energy metabolism essential for the synthesis of key neurotransmitters and lipids. Preclinical studies of AC-1202 have shown it to be effective in behavioral studies of learning and memory, and a Phase IIa clinical trial demonstrated that it improved certain measures of memory in Alzheimer's disease patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in memory loss.","Toxicity":"","MechanismOfAction":"AC-1202 is an orally available, liquid compound that is efficiently converted by the liver into ketone bodies, an alternative energy source that the brain can metabolize even when it cannot process glucose. Thus preserving the glucose- deprived brain cells, AC-1202 has disease modifying potential in AD and a number other neurodegenerative diseases characterized by neuronal hypometabolism.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05785","Name":"LGD-1550","DrugType":"small molecule","HalfLife":"","Description":"LGD-1550 is an orally-active synthetic aromatic retinoic acid agent with potential antineoplastic and chemopreventive activities.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"LGD 1550 selectively binds to all three retinoic acid receptors (RAR-alpha, RAR-beta, and RAR-gamma), resulting in alterations in the expression of genes responsible for cell differentiation and proliferation. This agent also acts as an inhibitor of activator protein 1 (AP-1), a protein that mediates trophic responses and malignant transformation.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05786","Name":"MGI-114","DrugType":"small molecule","HalfLife":"","Description":"A novel anti-cancer compound synthesized by scientists at the University of California, San Diego more than a decade ago from toxins of the poisonous jack-o-lantern mushroom, has been granted “fast track” status by the U.S. Food and Drug Administration (FDA) after demonstrating promise against one of the most deadly cancers. \r\n\r\nMGI-114 (Irofulven) is currently being developed by MGI PHARMA, Inc., an emerging oncology-focused pharmaceutical company based in Minneapolis. Phase III clinical trials involving the drug have been underway since early 2001 at sites in the U.S. and Europe. \r\n","Classification":{"Description":"This compound belongs to the acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups.","DirectParent":"Acyloins","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Acyloins"},"Indication":"Investigated for use/treatment in brain cancer, breast cancer, endometrial cancer, liver cancer, lung cancer, ovarian cancer, pancreatic cancer, pediatric indications, prostate cancer, and sarcoma.","Toxicity":"","MechanismOfAction":"MGI-114(Irofulven) has unique mechanism of action as an anti-tumor agent is due to its ability to be rapidly absorbed by tumor cells. Once inside the cells, the compound binds to DNA and protein targets. This binding interferes with DNA replication and cell division of tumor cells, leading to tumor-specific apoptotic cell death, or “cell suicide.” During this process, tumor cells tend to automatically shut themselves down when they sense their function is compromised.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05787","Name":"LM-609","DrugType":"biotech","HalfLife":"","Description":"LM-609 (Vitaxin) is an artificial antibody that targets a protein on the surface of newly forming blood vessels, as well as on certain tumors. In addition to cancer, the protein has been implicated in bone destruction in rheumatoid arthritis and the inflammatory process in psoriasis.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in colorectal cancer, melanoma, prostate cancer, psoriasis and psoriatic disorders, rheumatoid arthritis, and solid tumors.","Toxicity":"","MechanismOfAction":"LM-609 targets the alpha-v beta-3 integrin, which is a protein complex expressed on the surface of newly forming blood vessels, certain tumor types, and on a number of other cell types, including macrophages and osteoclasts. As such, alpha-v beta-3 integrin is implicated in a number of disease processes, including the growth and metastasis of tumors, the bone destruction in RA and the inflammatory process in psoriasis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05789","Name":"MX6","DrugType":"small molecule","HalfLife":"","Description":"MX6 is adamantyl group derivatives containing retinoid-related compounds induce apoptosis of cancer cells and therefore may be used for the treatment of cancer, including advanced cancer. More specifically, it has been shown that such adamantyl compounds, e.g., 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid, 2-[3-(1-adamantyl)-4-methoxyphenyl]-5-benzimidazole carboxylic acid, and 6-[3-(1-adamantyl)-4,5-methylenedioxyphenyl]-2-naphthoic acid, can be used to treat or prevent cervical cancers and precancers such as cervical dysplasias, including high grade and low grade dysplasias.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cervical dysplasia/cancer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05790","Name":"SR 140333","DrugType":"small molecule","HalfLife":"","Description":"SR 140333 is tachykinin antagonist which has potential to treat diarrhoea due to food allergy or inflammatory bowel disease. \r\n","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"Investigated for use/treatment in asthma and inflammatory bowel disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05791","Name":"Perflubron emulsion","DrugType":"small molecule","HalfLife":"","Description":"Perflubron emulsion (Oxygent) is being developed as an intravascular oxygen carrier designed to augment oxygen delivery in surgical patients.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Investigated for use/treatment in cardiac surgery, hemorrhage, and ileus.","Toxicity":"","MechanismOfAction":"Perflubron emulsion (Oxygent) maintains hemodynamic stability during major surgery, thereby potentially reducing or avoiding intraoperative transfusions of donor blood in major surgery.Perflubron emulsion has ability to enable patients to be physiologically stable and safe at lower intraoperative Hb levels.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05792","Name":"SR 31747","DrugType":"small molecule","HalfLife":"","Description":"SR31747 is a peripheral [sigma] ligand that binds four proteins in human cells, i.e. SRBP-1, [sigma]-2, HSI and its relative SRBP-2. It is a dual agent with both immunomodulatory and antiproliferative activities.","Classification":{"Description":"This compound belongs to the phenylpropenes. These are compounds containing a phenylpropene moeity, which consists of a propene substituent bound to a phenyl group.","DirectParent":"Phenylpropenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropenes"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified), immunosuppressive, and prostate cancer.","Toxicity":"","MechanismOfAction":"SR31747 blocks proliferation of human lymphocytes, modulates the expression of pro- and anti-inflammatory cytokines, and was shown to protect animals in vivo against acute and chronic inflammatory conditions such as acute graft-versus-host reaction, lethality induced by staphylococcal enterotoxin B and lipopolysaccharide or rheumatoid arthritis. Besides these immunomodulatory activities, the molecule also inhibits the proliferation of various tumor cell lines in vitro in a time- and concentration-dependent manner. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05793","Name":"PRO-542","DrugType":"biotech","HalfLife":"","Description":"PRO 542 belongs to a new class of drugs, viral-entry inhibitor, which is intended to prevent HIV from entering and infecting cells. PRO 542 (CD4-immunoglobulin G2) is a tetravalent CD4-immunoglobulin fusion protein that broadly neutralizes primary HIV-1 isolates. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in acquired immune deficiency syndrome (AIDS) and aids-related infections, HIV infection, and pediatric indications.","Toxicity":"","MechanismOfAction":"PRO 542 binds to the viral surface glycoprotein gp120 and blocks attachment and entry of virus into CD4(+) cells.Unlike currently approved therapies that block viral replication in cells already infected with HIV, PRO 542 is an antibody-like molecule that is designed to target and neutralize the virus in the bloodstream.\r\n\r\nSingle doses of PRO 542 reduced concentrations of the human immunodeficiency (HIV) in the blood by 60% to 80% in a target population of highly treatment-experienced patients with PRO 542-sensitive virus.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05794","Name":"recombinant human relaxin","DrugType":"biotech","HalfLife":"","Description":"Recombinant human relaxin is a hormone produced during pregnancy that facilitates the birth process by causing a softening and lengthening of the cervix and the pubic symphysis (the place where the pubic bones come together).It is a heterodimer protein secreted by the corpus luteum and placenta during pregnancy.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cardiovascular disorders, congestive heart failure, infertility, peripheral vascular disease, and scleroderma.","Toxicity":"","MechanismOfAction":"Recombinant human relaxin inhibits contractions of the uterus and may play a role in timing of delivery. Relaxin works by simultaneously cutting collagen production and increasing collagen breakdown.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05795","Name":"YKP-10A","DrugType":"small molecule","HalfLife":"","Description":"YKP10A is a novel, new antidepressant that may affect dopamine neurotransmission. It provides antidepressant activity in patients with major depression.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in depression.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05796","Name":"SLV 306","DrugType":"small molecule","HalfLife":"","Description":"SLV-306 is an orally active mixed neutral endopeptidase/endothelin converting enzyme inhibitor under development by Solvay SA for the treatment of essential hypertension and congestive heart failure and it is in the phase II of clinical trails.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in congestive heart failure and hypertension.","Toxicity":"","MechanismOfAction":"SLV306 increased plasma natriuretic peptides and big endothelin-1 levels in a dose-dependent manner, confirming neutral endopeptidase and endothelin-converting enzyme inhibition. The combined inhibition of neutral endopeptidase and endothelin-converting enzyme may be useful in heart failure by reducing right and left cardiac filling pressures","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05797","Name":"TNX-901","DrugType":"small molecule","HalfLife":"","Description":"TNX-901 is a therapeutic monoclonal antibodies designed to address significant unmet medical needs in the areas of asthma, allergy, inflammation and other diseases affecting the human immune system.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in allergic reaction.","Toxicity":"","MechanismOfAction":"TNX-901 is an anti-IgE antibody. IgE antibody is the receptor responsible for allergic reactions and severe asthma attacks. An anti-IgE antibody binds IgE and prevents it from initiating an allergic reaction.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05798","Name":"GEM-231","DrugType":"small molecule","HalfLife":"","Description":"GEM231 is a second-generation antisense oligonucleotide targeting the mRNA of the R1alpha regulatory subunit of cAMP dependent protein kinase. A monoclonal antibody combined with a toxic substance that is used treat certain types of acute myeloid leukemia in older patients and is being studied in the treatment of other types of cancer. Monoclonal antibodies are made in the laboratory and can locate and bind to cancer cells.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"GEM-231 has also demonstrated potentiation of the effects of certain conventional cytotoxic chemotherapy drugs. Hybridon is conducting studies of the DNA methyltransferase gene and has identified specific sequences on mRNA as targets for chemically-modified antisense oligonucleotides.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05799","Name":"NOX-100","DrugType":"small molecule","HalfLife":"","Description":"NOX-100 is the new nitric oxide (NO) neutralizing agent being developed by San Diego-based Medinox -- demonstrated its effectiveness and potential as a therapeutic to treat hemorrhagic shock. NOX-100 is the first in a series of proprietary NO neutralizing compounds Medinox is developing to bind and inactivate NO, a simple gas molecule that is a key biological messenger in the body.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in sepsis and septicemia.","Toxicity":"","MechanismOfAction":"Under normal conditions, Nitric Oxide (NO) is produced in small amounts and plays many crucial maintenance roles including regulating blood pressure, facilitating memory and defending against pathogens. But when inflammation occurs, NO can be produced in excessive amounts and contributes to disease pathology.\r\n \r\nNOX-100 binds excessive NO but do not remove the low levels needed to perform vital maintenance functions in the body. NOX-100 eliminates excessive NO which is distinct from enzyme inhibitors, which block NO synthesis.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05800","Name":"beta alethine","DrugType":"small molecule","HalfLife":"","Description":"Beta alethine is studied in the treatment of cancer. It belongs to a family of chemicals called disulfides. It is a low molecular weight disulfide that has been shown to exhibit in vivo antitumor activity in murine myeloma and melanoma models.","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in blood (blood forming organ disorders, unspecified), lymphoma (unspecified), and multiple myeloma.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05801","Name":"GTI 2040","DrugType":"small molecule","HalfLife":"","Description":"GTI-2040 is a substance that is being studied as a treatment for cancer. It belongs to the family of drugs called antisense oligonucleotides.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer, colorectal cancer, leukemia (myeloid), leukemia (unspecified), myelodysplastic syndrome, prostate cancer, renal cell carcinoma, and solid tumors.","Toxicity":"","MechanismOfAction":"GTI-2040 is an antisense drug that specifically targets the R2 component of ribonucleotide reductase, which is required for DNA synthesis and cell proliferation. R2 has also been described as a malignant determinant that is elevated in a wide range of tumors, and through deregulation can cooperate with a variety of cellular cancer causing genes known as oncogenes to enhance tumor growth and metastatic potential.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05802","Name":"MLN-02","DrugType":"small molecule","HalfLife":"","Description":"MLN-02 is an investigational humanized monoclonal antibody for the treatment of inflammatory bowel disease (IBD), Crohn’s Disease and ulcerative colitis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in crohn's disease, inflammatory bowel disease, and ulcerative colitis.","Toxicity":"","MechanismOfAction":"MLN02 is an investigational, novel monoclonal antibody that binds to a T- cell integrin, alpha4beta7, and has been shown to prevent the migration of T- cells to the gut in laboratory studies. Increased T-cell trafficking is believed to play a role in the pathogenesis of Crohn's disease and ulcerative colitis (inflammatory bowel diseases). MLN02 is also being evaluated in an ongoing phase II clinical trial for ulcerative colitis. MLN02 is being developed in collaboration with Genentech, Inc., which holds exclusive worldwide commercialization rights.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05803","Name":"ISIS 14803","DrugType":"small molecule","HalfLife":"","Description":"ISIS 14803 is a 20-unit antisense phosphorothioate oligodeoxynucleotide that binds to hepatitis C virus (HCV) RNA at the translation initiation region of the internal ribosome entry site (IRES) and inhibits protein expression in cell culture.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"ISIS 14803 blocks the synthesis of disease-causing proteins by preventing translation of viral RNA. In the case of hepatits C virus (HCV), an antisense oligodeoxynucleotide directed against a specific HCV sequence effectively inhibits viral gene expression.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05804","Name":"dehydroepiandrosterone sulfate","DrugType":"small molecule","HalfLife":"","Description":"DHEA sulfate is the major steroid of the fetal adrenal. DHEA-S is the principal adrenal androgen and is secreted together with cortisol under the control of ACTH and prolactin. DHEA-S is elevated with hyperprolactinemia.","Classification":{"Description":"This compound belongs to the sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.","DirectParent":"Sulfated Steroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Sulfated Steroids"},"Indication":"Investigated for use/treatment in asthma and burns and burn infections.","Toxicity":"","MechanismOfAction":"The low levels of dehydroepiandrosterone sulfate(DHEA-S)is associated with unfavorable levels of several strong cardiovascular disease risk factors, such as lipids and blood pleasure, which are components of the metabolic syndrome, and insulin levels. DHEA-S deficiency is risk factors of obesity and insulin resistance, but it is not clear, whether this possible influence is independent.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05805","Name":"NS-2359","DrugType":"small molecule","HalfLife":"","Description":"NS2359 is a triple monoamine re-uptake inhibitor with a new, unique drug profile expected to yield important benefits compared to existing treatments of depression. Enhancing the function of the three neurotransmitters serotonin, noradrenalin and dopamine, NS2359 has a desired \"triple-mode-of-action\". This mode of action is expected to produce an optimal reduction in all disease symptoms and the possibility of an earlier onset of action compared to antidepressants already on the market.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in addictions, attention deficit/hyperactivity disorder (ADHD), and depression.","Toxicity":"","MechanismOfAction":"NS2359 has a triple mode of action, inhibiting neuronal reuptake of the three neurotransmitters serotonin, noradrenaline and dopamine, all of which play an important role in the development of depression. NS2359 also increases release of the neurotransmitter acetylcholine. This mode of action is expected to produce a better and faster reduction of the symptoms associated with depression. This rationale has been confirmed in independent studies in which existing anti-depressants affecting serotonin have been combined with drugs that affect noradrenaline/dopamine. Drugs with this triple mode of action are expected to become the future standard in the treatment of depression.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05806","Name":"BNP 1350","DrugType":"small molecule","HalfLife":"","Description":"BNP1350 is the novel camptothecin derivative which is also known as Karenitecin. It has been developed for superior oral bioavailability and increased lactone stability. It is used to treat cancer.","Classification":{"Description":"This compound belongs to the camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).","DirectParent":"Camptothecins","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Camptothecins","SubClass":""},"Indication":"Investigated for use/treatment in brain cancer, lung cancer, and melanoma.","Toxicity":"","MechanismOfAction":"BNP1350, 7-[(2-trimethylsilyl)ethyl]-20(S)-camptothecin, is a novel semi-synthetic, highly lipophilic, silicon-containing camptothecin and an inhibitor of topoisomerase I. It has been supercomputer engineered for superior oral bioavailability, superior lactone stability, broad anti-tumor activity, increased potency and insensitivity to Pgp/MRP/LRP drug resistance.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05807","Name":"HGTV-43","DrugType":"biotech","HalfLife":"","Description":"HGTV43 is an anti-sense treatment designed to produce T cells that are genetically resistant to HIV infection. HGTV43 is one of a number of so-called 'gene transfer vectors' developed by the biotechnology company Enzo Biochem, Inc.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"HGTV43 works by 'turning off' the genes which HIV needs to grow and reproduce in human cells. Engineered genes are inserted directly into cells to regulate the function of the genes essential for HIV replication. These genetically modified CD4 cells are then transferred back to the individual. The theory is that these individuals will thus have a pool of fully functioning CD4 cells immune to HIV infection.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05808","Name":"PI-88","DrugType":"small molecule","HalfLife":"","Description":"PI-88 is a mixture of highly sulfated, monophosphorylated mannose oligosaccharides, derived from the extracellular phosphomannan of the yeast Pichia (Hansenula) holstii, with potential antiangiogenic activity.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatocellular carcinoma, liver cancer, melanoma, and multiple myeloma.","Toxicity":"","MechanismOfAction":"PI-88 retards the growth of primary tumours by inhibiting new blood vessel growth (angiogenesis) in two ways: Heparan sulfate mimicry causes inhibition of heparanase, which prevents the release of angiogenic growth factors from the extracellular matrix (ECM). Interaction with angiogenic growth factors VEGF (Vascular Endothelial Growth Factor), FGF-1 (Fibroblast Growth Factor -1) and FGF-2, reduces their functional activity. PI-88 binds with high (nanomolar) affinity to these growth factors. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05809","Name":"TA-CIN","DrugType":"biotech","HalfLife":"","Description":"TA-CIN is a subunit vaccine comprising L2/E6/E7 proteins from Human Papillomavirus (HPV16), designed to generate a strong cellular immune response against HPV-infected cells.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cervical dysplasia/cancer.","Toxicity":"","MechanismOfAction":"TA-CIN is targeted at patients with cervical dysplasia (pre-invasive cervical disease), thus potentially preventing the onset of invasive cervical cancer. The initial product candidate for clinical trials is a genetically engineered fusion of three proteins from HPV 16 known to play a role in the progression of cervical disease. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05810","Name":"99mTc-glucarate","DrugType":"small molecule","HalfLife":"","Description":"99mTc-glucarate(GLA) is an agent for non-invasive detection of breast tumours.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in myocardial infarction.","Toxicity":"","MechanismOfAction":"99m Tc-Glucarate marks acute myocardial infarct very early after occlusion and appears to accurately assess infarct size when compared with triphenyltetrazolium chloride (TTC) staining.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05811","Name":"HSV-2 theracine","DrugType":"biotech","HalfLife":"","Description":"HSV-2 theracine is an attenuated recombinant vaccine developed by AuRx for the treatment of genital herpes.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in genital herpes.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05812","Name":"Abiraterone","DrugType":"small molecule","HalfLife":"Terminal elimination half-life = 5-14 hours ","Description":"Abiraterone is a derivative of steroidal progesterone and is an innovative drug that offers clinical benefit to patients with hormone refractory prostate cancer. Abiraterone is administered as an acetate salt prodrug because it has a higher bioavailability and less susceptible to hydrolysis than abiraterone itself. FDA approved on April 28, 2011.","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"Used in combination with prednisone for the treatment of metastatic, castration-resistant prostate cancer. ","Toxicity":"Toxicity is related to the blockade of 17α-hydroxylase activity. Blockade results in the accumulation of upstream mineralocorticoids like 11-deoxycorticosterone leading to secondary hyperaldosteronism. Signs of hydroaldosteronism include fluid retention and hypokalemia. Mineralocorticoid receptor antagonists may be used to treat signs and symptoms. ","MechanismOfAction":"Abiraterone is an orally active inhibitor of the steroidal enzyme CYP17A1 (17 alpha-hydroxylase/C17,20 lyase). It inhibits CYP17A1 in a selective and irreversible manner via covalent binding mechanism. CYP17A1 is an enzyme that catalyzes the biosynthesis of androgen and is highly expressed in testicular, adrenal, and prostatic tumor tissue. More specifically, abiraterone inhibits the conversion of 17-hydroxyprognenolone to dehydroepiandrosterone (DHEA) by the enzyme CYP17A1 to decrease serum levels of testosterone and other androgens. ","Pharmacodynamics":"Abiraterone is associated with decreases in PSA levels, tumor shrinkage (as evaluated by RECIST criteria), radiographic regression of bone metastases and improvement in pain. Levels of adrenocorticotropic hormones increased up to 6-fold but this can be suppressed by dexamethasone. ","Absorption":"Abiraterone itself is poorly absorbed and is susceptible to hydrolysis by esterases. The salt form, abiraterone acetate, is a prodrug which has a much higher oral bioavailability and is also esterase resistant. Peak drug concentrations of abiraterone were reached in 1.5 - 4 hours. Abiraterone acetate was rapidly and completely deacetylated into abiraterone-the parent salt form was not detectable in early pharmacokinetic studies. Food and high fat meals increases absorption 4.4-fold. ","Interactions":[{"ID":"DB01072"},{"ID":"DB06616"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB00514"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00679"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB05813","Name":"autologous activated macrophage therapy","DrugType":"small molecule","HalfLife":"","Description":"Autologous activated macrophage therapy is used to treat patients with acute complete spinal cord injury.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in spinal cord injuries.","Toxicity":"","MechanismOfAction":"Autologous activated macrophage therapy consists of macrophages isolated from the patient's own blood, co-incubated with the patient's skin in a proprietary process and then injected directly into the patient's injured spinal cord.\r\n\r\nMacrophages are white blood cells that play a beneficial role in wound healing and tissue regeneration throughout the body. However, within the brain and spinal cord, resident macrophage activity appears to be inhibited, severely restricting the capacity for spontaneous regeneration. The strategy employed by Proneuron is to overcome the restriction on nerve regeneration by collecting autologous (taken from the patient himself) macrophages directly from the blood, activating them in the laboratory and then implanting them in the site of the injury. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05814","Name":"GPI-1485","DrugType":"small molecule","HalfLife":"","Description":"GPI 1485 is a product candidate that belongs to a class of small molecule compounds called neuroimmunophilin ligands.\r\nIn preclinical experiments, neuroimmunophilin ligands have been shown to repair and regenerate damaged nerves without affecting normal, healthy nerves. \r\nGPI 1485 is being studied in phase 2 clinical trials for the treatment of Parkinson's disease and post-prostatectomy erectile dysfunction and in pre-clinical development for HIV related dementia and neuropathy. \r\n ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in erectile dysfunction and parkinson's disease.","Toxicity":"","MechanismOfAction":"\r\nGPI 1485 belongs to a class of small molecule compounds called neuroimmunophilin ligands which are a family of binding proteins that are highly conserved in nature and mediate the actions of immunosuppressant drugs. The FK-506-binding protein (FKBP) subclass of immunophilin bind FK-506 and rapamycin and are of particular interest due to their potent neurotrophic activity.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05815","Name":"GnRH pharmaccine","DrugType":"biotech","HalfLife":"","Description":"The GnRH pharmaccine consists of synthetic peptides (constructed to \"look like\" GnRH), which are bound chemically to a carrier and suspended in a proprietary \"delivery vehicle\". The pharmaccine is administered intramuscularly to the patient by injection and induces an immune response or production of antibodies in the patient, which neutralize GnRH thus removing it from circulation. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in prostate cancer.","Toxicity":"","MechanismOfAction":"The immunological neutralization of Gonadotropin Releasing Hormone (GnRH) by the antibodies induced by GnRH pharmaccine shuts down the production of testosterone in the testes. Testosterone fuels prostate cancer, both early stage, primary cancer and metastatic (spreading) cancer. Like physical castration, hormonal, or biological blockage of testosterone has been shown to be efficacious in humans for the treatment of both early and late state prostate cancer. Aphton's GnRH pharmaccine, which is expected to be reversible based on the mechanism of action (in contrast to surgical castration), induces hormonal, or biological blockage of testosterone.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05816","Name":"intranasal apomorphine","DrugType":"small molecule","HalfLife":"","Description":"Intranasal apomorphine is a nasal formulation of apomorphine developed by Nastech Pharmaceutical Co Inc for the potential treatment of erectile dysfunction and female sexual dysfunction.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in erectile dysfunction and sexual dysfunction (female).","Toxicity":"","MechanismOfAction":"Intranasal apomorphine is a potent dopamine agonist that promotes erectile function by stimulating receptors in the hypothalamus. The PDE-5 inhibitor class of erectile dysfunction (ED)therapies does not function in the brain but only on the final step in erectile function. \r\nIn addition, unlike the class of PDE-5 inhibitors that produce hypotension, headaches, and other side effects due to non-specific interactions in the body, apomorphine acts specifically on the D1/D2 class of dopamine receptors that are responsible for the initiation of the erectile response in the brain.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05817","Name":"VNP 40101M","DrugType":"small molecule","HalfLife":"","Description":"VNP40101M is a novel alkylating agent that is being evaluated for the treatment of acute myelogenous leukemia (AML. It is undergoing phase III development for the treatment of acute myeloid leukemia (AML) and earlier clinical trials for a range of other cancers.\r\n\r\n","Classification":{"Description":"This compound belongs to the sulfonylureas. These are organic compounds containing a sulfonyl group with the structure R-S(=O)2-R', where R' is an urea.","DirectParent":"Sulfonylureas","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Investigated for use/treatment in brain cancer, cancer/tumors (unspecified), colorectal cancer, leukemia (lymphoid), leukemia (myeloid), lung cancer, myelodysplastic syndrome, pediatric indications, and solid tumors.","Toxicity":"","MechanismOfAction":"VNP40101M is a small molecule that works by damaging DNA. It releases the DNA chloroethylating agent 90CE after entering the blood stream. 90CE chloroethylates the O6 position of guanine residues, ultimately resulting in an interstrand DNA cross-link. Interstrand DNA cross-links are difficult to repair and are toxic to cells. VNP40101M demonstrates a broad spectrum of anticancer activity in preclinical studies, including activity in selected cell lines resistant to other alkylating agents such as BCNU, cyclophosphamide and melphalan. In preclinical studies, Cloretazine (VNP40101M) has been combined with other anticancer agents such as cytarabine (Ara-C). In addition, Cloretazine (VNP40101M) or its metabolite, has been shown to be capable of crossing the blood brain barrier in preclinical models.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05818","Name":"SGN-15","DrugType":"biotech","HalfLife":"","Description":"SGN-15 is studied in the treatment of cancer. It combines a monoclonal antibody with the anticancer drug doxorubicin. Monoclonal antibodies are substances that are made in the laboratory and that can locate and bind to cancer cells. Doxorubicin is a type of anthracycline antitumor antibiotic. When it is combined with a monoclonal antibody, it forms a type of drug conjugate. Also called cBR96-doxorubicin immunoconjugate.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in breast cancer, colorectal cancer, and lung cancer.","Toxicity":"","MechanismOfAction":"SGN-15 is a first-generation product composed of the chimeric BR96 antibody chemically joined by an acid-labile hydrazone linker to the chemotherapeutic drug doxorubicin. The antibody component binds to a Lewisy—related carbohydrate antigen that is highly expressed on many solid tumors; it internalizes rapidly and then releases the drug payload at the low pH present with the tumor cells. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05819","Name":"NBI-6024","DrugType":"biotech","HalfLife":"","Description":"NBI-6024 is an altered peptide ligand that is designed to cause an immune response which result in preservation of beta-cell function and endogenous insulin production. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in diabetes mellitus type 1 and pediatric indications.","Toxicity":"","MechanismOfAction":"NBI-6024 is designed specifically to generate an immune response that could result in preservation of beta-islet cell function in patients with Type I diabetes or juvenile-onset diabetes. Because there is progressive beta-islet destruction in Type I diabetes, an early intervention strategy with a product like NBI-6024 could delay or prevent insulin dependence.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05820","Name":"DP-b99","DrugType":"small molecule","HalfLife":"","Description":"DP-b99 is a newly developed lipophilic, cell permeable derivative of BAPTA (1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid), that is under development as a neuroprotectant for the potential treatment of stroke, head trauma and neurological damage associated with coronary artery bypass graft.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in strokes and traumatic brain injuries.","Toxicity":"","MechanismOfAction":"DP-b99 is a discovery product, rationally designed using D-Pharm’s proprietary technology, Membrane Active Chelators (MAC). Considerable evidence suggests that redistribution of metal ions and disturbances in metal ion homeostasis are key components in the cascade of events underlying cell damage in stroke. In the first hours post-stroke ion disturbances cause excitatory cell damage and in the days and weeks following they contribute to edema, inflammation and cell death. DP-b99 is a novel approach to neuroprotection based on selective modulation of calcium, zinc, copper and iron homeostasis in the vicinity of cell membranes.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05821","Name":"DP-VPA","DrugType":"small molecule","HalfLife":"","Description":"DP-VPA is D-Pharm's proprietary lipid modified version of valproic acid (VPA) that demonstrate that DP-VPA is well-tolerated in patients with resistant epilepsy and has a marked effect on reducing seizure frequency.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in bipolar disorders, epilepsy, and migraine and cluster headaches.","Toxicity":"","MechanismOfAction":"DP-VPA is a new chemical entity (NCE) utilising D-Pharm's proprietary technology, Regulated Activation of Prodrugs (D-RAPTM). DP-VPA comprises VPA linked to a phospholipid moiety to form a prodrug that may be specifically cleaved by phospholipase A2 (PLA2), an enzyme specifically up-regulated in firing neurons. With a seizure imminent, VPA is preferentially released at the site of pathology until PLA2 hyperactivation subsides, enabling precise control over drug action.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05822","Name":"NCX 4016","DrugType":"small molecule","HalfLife":"","Description":"NCX 4016 is studied in the prevention of colorectal cancer. It is a form of aspirin that gives off nitric oxide gas and is less irritating to the lining of the stomach than plain aspirin. It is a type of nonsteroidal anti-inflammatory drug (NSAID) and also called as nitric oxide-releasing acetylsalicylic acid derivative.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders, colorectal cancer, diabetes mellitus type 2, peripheral vascular disease, and thrombosis.","Toxicity":"","MechanismOfAction":"NCX-4016 is new chemical entities obtained by adding a nitric oxide-releasing moiety to aspirin. NCX-4016 consists of the parent molecule (aspirin) linked to a 'spacer' via an ester linkage, which is in turn connected to a nitric oxide-releasing moiety. Both aspirin and NCX-4016 contribute to its effectiveness, the latter occurring via both cyclic guanosyl monophosphate-dependent and -independent mechanisms.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05824","Name":"CNS-5161","DrugType":"small molecule","HalfLife":"","Description":"CNS 5161 is a blocker of the NMDA ion channel and has completed Phase IIa proof of concept clinical trials as a novel compound for the treatment of neuropathic pain.\r\n","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"Investigated for use/treatment in migraine and cluster headaches, neuropathy (diabetic), and pain (acute or chronic).","Toxicity":"","MechanismOfAction":"CNS 5161 is a selective and high affinity N-methyl-D-aspartate (NMDA) receptor antagonist with preferential binding to the activated form of the receptor. CNS 5161 also penetrates the brain well and can be used to label selectively brain NMDA receptors in vivo. A radioactive form of CNS 5161 may be used as an agent to monitor NMDA receptors in the human brain using Positron Emission Tomography (\"PET\") and \"the significance of a selective, validated radiopharmaceutical agent suitable for detecting widespread as well as highly localized changes in the NMDA receptor in the living brain cannot be exaggerated\".","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05825","Name":"NCX 1015","DrugType":"small molecule","HalfLife":"","Description":"NCX 1015 is nitric oxide-releasing derivative of prednisolone developed for the treatment of inflammatory bowel disease (IBD) by NicOx SA.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in arthritis and arthritic pain and inflammatory bowel disease.","Toxicity":"","MechanismOfAction":"NCX-1015 is the prototype of a new class of glucocorticoids, the nitro-steroids, capable of enchancing anti-inflammatory properties and reduced side effects. It also abrogates the plasma levels of a catabolite of cartilage and bone metabolism, indication of a disease modifying action.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05826","Name":"Prolease-r-hFSH","DrugType":"small molecule","HalfLife":"","Description":"Prolease-r-hFSH is a recombinant human follicle stimulating hormone (r-hFSH) with Alkermes' ProLease injectable sustained release drug delivery technology.It provides patients with long term therapeutic benefit from a single administration rather than multiple injections.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in infertility.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05827","Name":"G207","DrugType":"biotech","HalfLife":"","Description":"G207 is cancer-killing viruses, so-called oncolytic viruses, for the treatment of various forms of cancer developed by MediGene AG. These viruses are specific herpes simplex viruses, or HSVs, generally known as the cause of cold sores. MediGene uses these viruses, however, in a modified and \"disarmed\" form in order to make them utilizable as a therapeutic agent in humans.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in brain cancer.","Toxicity":"","MechanismOfAction":"G207, Cancer killing viruses are modified to make them utilizable as a therapeutic agent in human by switching off certain genes that normally enable the virus to multiply in healthy cells, which would destroy these cells. As a result of this genetic modification, the HSVs are able to reproduce in tumor cells solely, since only this offer an environment that compensates for the loss of the removed viral genes. Consequently, the virus is able to replicate in the tumor cells, selectively destroying them without harming healthy tissue.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05828","Name":"LU-31130","DrugType":"small molecule","HalfLife":"","Description":"LU-31130 is a rapid acting therapy developed by H. Lundbeck A/S to treat Psychosis, Schizophrenia and Schizoaffective Disorders. It acts at the Dopamine D4 receptors in the cortex and has low affinity for D2 receptors, adrenoceptors, muscarinic and histaminergic receptors.\r\nIt provides anti-psychotic characteristic and a low incidence of extrapyramidal and cardiovascular side effects. \r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in psychosis and schizophrenia and schizoaffective disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05829","Name":"Preotact","DrugType":"biotech","HalfLife":"The mean half-life is approximately 1.5 hours.","Description":"Preotact is a pharmaceutical form of parathyroid hormone (PTH). PTH is a single-chain polypeptide composed of 84 amino acids. Preotact contains recombinant human parathyroid hormone which is identical to the full-length native 84-amino acid polypeptide. It is produced as a fusion protein. Post-translational processing involves the cleavage of the OmpA leader sequence, leaving the mature protein as a single-chain 84 amino-acids polypeptide (9.4 kDa) whose sequence is identical to that of the full-length native endogenous human PTH. It has no disulfide bonds and no glycosylation sites.\r\n\r\nPreotact is used in the treatment of osteoporosis in postmenopausal women at high risk of osteoporotic fractures. Preotact is marketed in Europe by Nycomed. Preos is a registered trade mark owned by NPS Pharmaceuticals, Inc. The name Preos and the New Drug Application is pending approval by the U.S. Food and Drug Administration (FDA).","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use/treatment in osteoporosis.","Toxicity":"","MechanismOfAction":"The biological actions of rhPTH are mediated through binding to at least two distinct high- affinity cell-surface receptors specific for the N-terminal and C-terminal regions of the molecule, both of which are required for normal bone metabolism. The N-terminal portion of the molecule is primarily responsible for the bone building effects of parathyroid hormone. The C-terminal portion of the molecule has antiresorptive activity and is necessary for normal regulation of N-terminal fragment activity.","Pharmacodynamics":"Parathyroid hormone is responsible for the fine regulation of serum calcium concentration on a minute-to-minute basis. This is achieved by the acute effects of the hormone on calcium resorption in bone and calcium reabsorption in the kidney. The phosphate mobilized from bone is excreted into the urine by means of the hormone's influence on renal phosphate handling. Parathyroid hormone also stimulates calcium absorption in the intestine, this being mediated indirectly by 1,25-dihydroxyvitamin D. Thus, a hypocalcemic stimulus of parathyroid hormone secretion results in an increased influx of calcium from three sources (bone, kidney, and intestine), resulting in a normalization of the serum calcium concentration without change in the serum phosphate concentration.","Absorption":"The absolute bioavailability of 100 micrograms of Preotact after subcutaneous administration in the abdomen is 55%.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB05830","Name":"7a-methyl-19-nortestosterone","DrugType":"small molecule","HalfLife":"","Description":"Trestolone (7α-methyl-19-nortestosterone) is a synthetic androgen developed by the Population Council as a potential candidate drug for use in hormonal male contraceptive methods. In males, regular administration of sufficient quantities of trestolone induces a state of temporary infertility.","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"Investigated for use/treatment in contraception and male hormonal deficiencies/abnormalities.","Toxicity":"","MechanismOfAction":"Spermatozoa are produced in the testes of males in a process called spermatogenesis. In order to render a man infertile, a hormone-based male contraceptive method must stop spermatogenesis by interrupting the release of gonadotropins from the pituitary gland. Even in low concetrations, trestolone is a potent inhibitor of the release of the gonadotropin hormones, luteinizing hormone (LH) and follicle stimulating hormone (FSH).\r\n\r\nIn order for spermatogenesis to occur in the testes, both FSH and the male hormone testosterone must be present. By inhibiting release of FSH, trestolone creates an endocrine environment in which conditions for spermatogenesis are not ideal. Manufacture of sperm is further impaired by the suppression of LH, which in turn drastically cutails the production of testosterone. Sufficient regular doses of trestolone cause severe oligozoospermia or azoospermia, and therefore infertility, in most male patients.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05831","Name":"ING-1","DrugType":"small molecule","HalfLife":"","Description":"ING-1 is a high-affinity, human engineered trade mark monoclonal antibody that recognizes a 40 kilodalton epithelial cell adhesion molecule (EpCAM) glycoprotein that is expressed in high levels on most adenocarcinomas. It is an attractive target for immunotherapy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"ING-1 is XOMA's proprietary anti-tumor Human Engineered(TM) monoclonal antibody with Triton's Targeted Nano-Therapeutics(TM) (TNT(TM)) System. The TNT(TM) System is an innovative product that ablates tumors by using tiny magnetic spheres delivered systemically with antibodies. The tiny spheres within the tumors are induced to heat by a localized externally applied magnetic field. ING-1, a Human Engineered(TM) monoclonal antibody with high affinity to the Ep-CAM antigen is expressed in high concentrations on many adenocarcinoma tumor cells. The combination of the ING-1 antibody with the TNT(TM) System is intended to create a novel, highly selective, safe, and effective treatment for adenocarcinomas, such as breast, colorectal, lung, ovary and prostate","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05832","Name":"PPI-1019","DrugType":"small molecule","HalfLife":"","Description":"Apan (PPI-1019) is developed by Praecis Pharmaceuticals to treat Alzheimer's Disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease.","Toxicity":"","MechanismOfAction":"PPI-1019 (Apan) inhibits the aggregation of \r\nbeta-amyloid and its associated nerve cell toxicity. In addition, Apan reaches the brain in quantities that are sufficient to \r\nblock the aggregation of beta-amyloid molecules and alter the course of the disease. \r\n\r\nAccumulation of beta-amyloid in the brain is often thought of as a defect in the\r\nability to clear beta-amyloid from the brain through the cerebral spinal fluid (CSF). Both humans and transgenic mice with Alzheimer's disease plaques show increased levels of beta-amyloid in the brain and decreased levels in the CSF. Transgenic mice treated with Apan show significant increases in beta-amyloid levels in the CSF, indicating that Apan is able to mobilize beta-amyloid in the brain and may be facilitating its clearance. \r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05833","Name":"lymphotoxin beta receptor","DrugType":"small molecule","HalfLife":"","Description":"Lymphotoxin beta receptor is a receptor for lymphotoxin.\r\nThe protein encoded by this gene is a member of the tumor necrosis factor (TNF) family of receptors. It is expressed on the surface of most cell types, including cells of epithelial and myeloid lineages, but not on T and B lymphocytes.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in autoimmune diseases.","Toxicity":"","MechanismOfAction":"The protein encoded by Lymphotoxin beta receptor specifically binds the lymphotoxin membrane form (a complex of lymphotoxin-alpha and lymphtoxin-beta). The encoded protein and its ligand play a role in the development and organization of lymphoid tissue and tranformed cells. Activation of the encoded protein can trigger apoptosis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05834","Name":"OC-1012","DrugType":"small molecule","HalfLife":"","Description":"OC-1012 is a compound which has emerged as a promising therapeutic agent for the treatment and prevention of mucositis, a serious side effect of chemotherapy and head and neck radiation therapy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy) and head and neck cancer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05835","Name":"NS-3728","DrugType":"small molecule","HalfLife":"","Description":"NS3728 is an orally active chloride channel blocker for the treatment of cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in anemia (sickle cell) and cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"NS-3728 (Endovion) blocks a certain subtype of chloride ion channels important for cell division, cell migration and the formation of new blood vessels (angiogenesis).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05836","Name":"AG-702","DrugType":"biotech","HalfLife":"","Description":"AG-702 is a recombinant human heat shock protein also known as stress protein. It is also known as HSPs, which are a group of proteins that are induced when a cell undergoes various types of environmental stresses like heat, cold and oxygen deprivation. HSPs are present in all cells in all life forms from bacteria to mammals, and their structure and function are similar across these diverse life forms. This drug is developed by antigenics for the treatment of genital herpes infection and is under phase I of clinical trial.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in genital herpes.","Toxicity":"","MechanismOfAction":"AG-702 is a recombinant human heat shock protein also known as stress protein. It is also known as HSPs, which are a group of proteins that are induced when a cell undergoes various types of environmental stresses like heat, cold and oxygen deprivation. HSPs are present in all cells in all life forms from bacteria to mammals, and their structure and function are similar across these diverse life forms. This drug is developed by antigenics for the treatment of genital herpes infection and is under phase I of clinical trial.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05837","Name":"OSI-7836","DrugType":"small molecule","HalfLife":"","Description":"OSI-7836 is a member of the nucleoside class of cytotoxic drugs of which gemcitabine is the market leader. OSI Pharmaceuticals develops OSI-7836 as a next-generation gemcitabine. The anti-tumor activity of OSI-7836 appeares to be less schedule dependent than gemcitabine. It is also more active than ara-C (another clinically used nucleoside analog) in all nine models and more active than either paclitaxel or cisplatin in the two lung xenograft models tested. This drug shows no unexpected toxicities; those observed appeared to be similar to other nucleoside agents. ","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"OSI-7836 appears to have a different mechanism of tumor growth inhibition blocking the cell division cycle at a different point (the G2 phase) than gemcitabine. The mechanism of action involves phosphorylation to the triphosphate form followed by incorporation into cellular DNA, leading to cell death.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05838","Name":"OPC-51803","DrugType":"small molecule","HalfLife":"","Description":"OPC-51803 is the first nonpeptide vasopressin (AVP) V(2)-receptor-selective agonist. It is a V(2)-selective agonist that produces a significant antidiuretic action after single and multiple oral dosing in AVP-deficient and normal AVP states. It is useful therapeutic drug in the treatment of hypothalamic diabetes insipidus, nocturnal enuresis, and some kinds of urinary incontinence.","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"Investigated for use/treatment in nocturia (frequent nighttime urination) and urinary incontinence.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05839","Name":"BG-777","DrugType":"small molecule","HalfLife":"","Description":"BG-777 is an immunomodulator with proven efficacy against viral and bacterial infections in preclinical studies.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cytomegalovirus (CMV) retinitis, HIV infection, influenza, and pneumonia.","Toxicity":"","MechanismOfAction":"BG-777 will activate the cells of the immune system and improve its ability to clear the virus, and resist infection.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05840","Name":"AGI-1096","DrugType":"small molecule","HalfLife":"","Description":"AGI-1096 is a novel oral antioxidant and selective anti-inflammatory agent that is being developed to address the accelerated inflammation of grafted blood vessels, known as transplant arteritis, common in chronic organ transplant rejection.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in transplant (rejection).","Toxicity":"","MechanismOfAction":"AGI-1096 is a novel phenolic intracellular antioxidant with anti-inflammatory and antiproliferative properties. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05841","Name":"AI-128","DrugType":"small molecule","HalfLife":"","Description":"AI-128 is the first human demonstration of sustained release drug administration in the lung. AI-128 consists of slowly dissolving microspheres designed to control where drug particles go in the lung and how quickly they release their drug.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05842","Name":"AI-850","DrugType":"small molecule","HalfLife":"","Description":"AI-850 is a Cremophor(R)-free formulation of paclitaxel, the active ingredient in Taxol(R), a product used to treat a variety of solid tumors.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer and solid tumors.","Toxicity":"","MechanismOfAction":"AI-850 utilizes Hydrophobic Drug Delivery System or HDDDsTechnology. It is readily dissolving formulation of the hydrophobic drug, paclitaxel, the active ingredient in the cancer drug, Taxol.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05843","Name":"trans NV-04","DrugType":"small molecule","HalfLife":"","Description":"trans NV-04 is a cardiovascular drug which shows a significant reduction in blood pressure and arterial stiffness.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cardiovascular disorders and hypertension.","Toxicity":"","MechanismOfAction":"trans-NV-04 promotes blood vessel relaxation, acts as an antioxidant and inhibits smooth muscle cell growth in blood vessels, factors contributing to build up of obstructive vascular plaques or atherosclerosis. \r\n\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05844","Name":"MX-1094","DrugType":"small molecule","HalfLife":"","Description":"MX-1094 is a non-steroidal anti-inflammatory prodrug (NSAID) in development for the treatment of arthritis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in arthritis and arthritic pain.","Toxicity":"","MechanismOfAction":"MX-1094 is well tolerated and exhibits the desired pharmacokinetic profile when compared to naproxen.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05845","Name":"NV-07a","DrugType":"small molecule","HalfLife":"","Description":"NV-07a is topical skin repair compound protecting skin from sun-induced immunosuppression and UV-induced damage.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in skin cancer and skin infections/disorders.","Toxicity":"","MechanismOfAction":"Topical application of NV-07a shows an ability to undo the immediate effects of sunlight, such as reddening of the skin; and also to undo the underlying damage from exposure to sunlight which results in skin cancer.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05846","Name":"Mito-4509","DrugType":"small molecule","HalfLife":"","Description":"Mito-4509 is a non-feminizing estrogen analog that could affect mitochondrial metabolic pathways. It is used to treat Parkinson's Disease, Alzheimer's Disease, Retinal Disorders and other neurologic Disorders. \r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease, neurologic disorders, parkinson's disease, and retinal disorders (unspecified).","Toxicity":"","MechanismOfAction":"MITO-4509 is an orally-administered drug candidate that shows neuro-protective activity and reductions in beta-amyloid in animal models of Alzheimer's disease, and is well tolerated in a completed human Phase I trial. In addition to Alzheimer's disease, MITO-4509 shows potential for use in Parkinson's disease, Friedreich's ataxia, retinitis pigmentosa, and mild cognitive impairment (\"MCI\" is often considered a precursor to Alzheimer's disease).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05847","Name":"heat-activated liposome technology","DrugType":"small molecule","HalfLife":"","Description":"ThermoDox, a heat activated liposomal encapsulation of doxorubicin, is an investigative new drug currently in Phase I studies for liver cancer and loco-regionally advanced recurrent breast cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer, liver cancer, and prostate cancer.","Toxicity":"","MechanismOfAction":"The therapeutic approach of ThermoDox combines its proprietary focused-heat thermotherapy delivery system, the Microfocus BPH 800 Microwave Urethroplasty (TM) system, with a heat-sensitive liposome that is designed, when activated, to deliver a chemotherapeutic agent to the targeted tumor site.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05848","Name":"humanized SMART Anti-IL-12 Antibody","DrugType":"biotech","HalfLife":"","Description":"The humanized anti-IL-12 antibody is an important addition to PDL's already strong pipeline of humanized antibodies being developed for the treatment of autoimmune diseases. SMART Anti-IL-12 Antibody was humanized at PDL from a murine anti-IL-12 antibody that was licensed, together with certain intellectual property related to anti-IL-12 therapy, from Hoffmann-La Roche Inc. IL-12 is a cytokine that may have considerable potential as a target in the therapy of autoimmune diseases.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in autoimmune diseases and inflammatory disorders (unspecified).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05849","Name":"NCX 950","DrugType":"small molecule","HalfLife":"","Description":"NCX 950, beta2-adrenoceptor agonists is widely used in the treatment of pulmonary diseases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma and chronic obstructive pulmonary disease (COPD).","Toxicity":"","MechanismOfAction":"NCX-950 elicits potent relaxant and anti-inflammatory activities compared with salbutamol, and these effects may be mainly due to the activation of the beta2-adrenoceptor rather than the cGMP pathway.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05851","Name":"Biomed 101","DrugType":"small molecule","HalfLife":"","Description":"Biomed 101 is investigated for use/treatment in adverse effects (chemotherapy) and renal cell carcinoma. Biomed 101 is a solid. Biomed 101 binds to the leukotriene B4 receptor, but does not affect interleukin-2 antitumor activity.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in adverse effects (chemotherapy) and renal cell carcinoma.","Toxicity":"","MechanismOfAction":"Biomed 101 binds to the leukotriene B4 receptor. Blocking this receptor it prevents adverse effects from interleukin-2. Recently, BioMedicines scientists have shown in clinical testing in patients with renal cancer that the therapeutic index of interleukin-2 is improved by the co- administration of Biomed 101. These patients are able to better tolerate interleukin-2 and experience fewer serious side effects.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05852","Name":"cryopreserved human liver cells","DrugType":"biotech","HalfLife":"","Description":"Vesta Therapeutics is a privately held company developing cell therapeutics for liver repair and regeneration. The Company's technology is centered on the isolation, expansion, and cryopreservation of liver cells (human hepatocytes) obtained from organ donor livers that are not suitable for whole organ transplantation. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in liver disease.","Toxicity":"","MechanismOfAction":"Problems with the limited availability of human hepatocytes for cell transplantation may be overcome by efficient cryopreservation techniques and formation of appropriate cell banking. Clinicians in academic settings have found that, following administration, human hepatocytes engraft and create new functioning liver tissue, which may provide a bridge to transplant or in some cases, eliminate the need for a liver transplant.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05854","Name":"CLX-0921","DrugType":"small molecule","HalfLife":"","Description":"CLX-0921 is investigated for use/treatment in diabetes mellitus type 2. CLX-0921 is a solid. CLX-0921 has a spectrum of activity that differs from commercially available thiazolidinediones. This substance targets the protein peroxisome proliferator-activated receptor gamma. It is a pharmacologically active antihyperglycemic agent that acts by increasing peripheral tissue sensitivity to insulin.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"CLX-0921 has a spectrum of activity that differs from commercially available TZDs. It also increases glycogen synthesis, an activity not typically associated with rosiglitazone or pioglitazone. Thus it appears to have a distinct spectrum of activity relative to other TZDs.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05855","Name":"Rivanicline","DrugType":"small molecule","HalfLife":"","Description":"Rivanicline (TC-2403, RJR-2403, (E)-metanicotine) is a drug which acts as a partial agonist at neural nicotinic acetylcholine receptors. It is subtype-selective, binding primarily to the α4β2 subtype. It has nootropic effects and was originally developed as a potential treatment for Alzheimer's disease, but a second action that was subsequently found was that it inhibits the production of Interleukin-8 and thus produces an antiinflammatory effect, and so it has also been developed as a potential treatment for ulcerative colitis. Rivanicline also has stimulant and analgesic actions which are thought to be mediated through stimulation of noradrenaline release, and so it could potentially also have other applications.","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"Investigated for use/treatment in ulcerative colitis.","Toxicity":"","MechanismOfAction":"Rivanicline is a (E)-metanicotine hemigalactarate. It effectively inhibits TNF- and LPS-induced IL-8 production in different cell types. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05856","Name":"CPD 923","DrugType":"small molecule","HalfLife":"","Description":"CPD 923 (N-butylgalactonorjirimycin) is an iminosugar and an analogue of ZavescaTM. It shows efficacy in vivo studies, as well as a favourable pre-clinical tolerability profile. \r\n \r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in metabolic disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05857","Name":"Q-Derp1","DrugType":"biotech","HalfLife":"","Description":"Q-Derp1 is developed by Cytos Biotechnology as an immunodrug. It is an antigen for the prevention of various major chronic diseases. Derp1 is the dominant allergic protein found in dust mite feces.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05858","Name":"BI-K0376","DrugType":"biotech","HalfLife":"","Description":"BI-K0376 is investigated for use/treatment in acne. BI-K0376 is a solid. It is under investigation by Pfizer and has gone through phase I of the clinical trails.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in acne.","Toxicity":"","MechanismOfAction":"BI-K0376 has a unique mode of action that makes it extremely selective against the bacteria responsible for acne, Propionibacterium acnes, including those that have become resistant to other antibiotic treatments, whilst sparing normal skin bacterial flora.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05859","Name":"PI-166","DrugType":"small molecule","HalfLife":"","Description":"PI-166 is a small organic compound with specific avidity to liver cancer cells. It has demonstrated the ability to reduce the growth of rat hepatomas, which is like human hepatomas, are resistant to established anti-cancer agents.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in liver cancer.","Toxicity":"","MechanismOfAction":"PI-166 is an anti-cancer formulation with a very high affinity for primary liver cancer (hepatoma) cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05860","Name":"PEG-Infergen","DrugType":"small molecule","HalfLife":"","Description":"PEGylation is a technology for the chemical attachment of polyethylene glycol (PEG) polymer chains to a broad range of drug substances such as peptides and proteins including antibody fragments; small molecules, and other drugs. Infergen is a bio-engineered type I interferon alpha that is FDA-approved for the treatment of patients with chronic hepatitis C infections.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"The effect of PEGylation is to increase drug circulation time in the bloodstream, improve drug solubility and stability, and reduce immunogenicity. The potential advantages of PEGylation are to decrease dosing frequency, improve drug efficacy and safety, improve stability, and simplify drug formulation.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05861","Name":"TASQ","DrugType":"small molecule","HalfLife":"","Description":"The quinoline-3-carboxamide anti-angiogenic agent, tasquinimod, enhances the anti-prostate cancer efficacy of androgen ablation and taxotere without effecting serum PSA directly in human xenografts","Classification":{"Description":"This compound belongs to the quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups.","DirectParent":"Quinoline Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxamides"},"Indication":"Investigated for use/treatment in prostate cancer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05862","Name":"ISV-403","DrugType":"small molecule","HalfLife":"","Description":"ISV-403 combines a fourth-generation fluoroquinolone, SS734, licensed from Japan's SSP, Co., Ltd., with InSite Vision's patented drug delivery system, DuraSite(R). Preclinical studies with ISV-403 indicated that this drug candidate is effective against bacteria resistant to third generation fluoroquinolone products.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in eye disorders/infections.","Toxicity":"","MechanismOfAction":"ISV-403, an ophthalmic pharmaceutical product for the treatment of ocular bacterial infections.\r\nISV-403 has equal to or superior attributes for broad-spectrum activity and could provide for lower dosing frequencies than comparable products. Lowering dosing frequencies could improve patient compliance, which can be a serious issue in treating ocular infections.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05863","Name":"TRX1","DrugType":"biotech","HalfLife":"","Description":"TRX1 is a humanized antibody that binds to the CD4 receptor found on a subset of T cells. TRX1 is being developed for the potential treatment of autoimmune diseases in collaboration with Genentech, Inc. TolerRx is currently conducting a Phase I clinical study of TRX1 in the United Kingdom.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in autoimmune diseases.","Toxicity":"","MechanismOfAction":"TRX1 induces and maintains immunological tolerance and reprogram the immune system to treat patients with immune-related diseases. In preclinical studies, TRX1 therapy has been shown to induce long-term, antigen-specific tolerance without compromising normal immune function.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05864","Name":"PPI-2458","DrugType":"small molecule","HalfLife":"","Description":"PPI-2458 represents a potentially new and important addition to the growing list of therapeutics aimed at specific molecular oncology targets. PPI-2458 is a novel, proprietary molecule belonging to the fumagillin class of compounds that specifically targets the MetAP-2 enzyme. This class of compounds has been shown to prevent both abnormal cell growth and the formation of new blood vessels (known as angiogenesis), which contribute to the growth of aberrant tissues in diseases such as cancer and rheumatoid arthritis. Clinical development with previous fumagillin derivatives has been limited by their toxicity profile. In preclinical studies to date, PPI-2458 has demonstrated the potent pharmacologic activity of this class of compounds while displaying an improved pharmacokinetic and toxicity profile.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in lymphoma (non-hodgkin's) and solid tumors.","Toxicity":"","MechanismOfAction":"PPI-2458's potent inhibition of MetAP-2 presents the potential for use as a new therapy for non-Hodgkin's lymphoma (NHL). MetAP-2 is highly expressed in human germinal center B cells. The neoplastic counterparts of these cells are the cell types observed in certain NHL subtypes, such as diffuse large B cell lymphoma and follicular lymphoma. PPI-2458 has been shown to reduce the formation of germinal centers in lymphoid tissues in vivo, have direct anti-proliferative activity on NHL cells in vitro and inhibit the growth of NHL tumors in a preclinical model in vivo. The anti-tumor activity of PPI-2458 was dose-dependent in this preclinical in vivo model and directly correlated with the level of molecular target MetAP-2 enzyme inhibition in tumor tissue, as measured by a proprietary, pharmacodynamic assay developed by PRAECIS. Additionally, the activity of PPI-2458 in this preclinical model was synergistic with several chemotherapeutic agents that are routinely used in combination in NHL patients.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05865","Name":"VIT-100","DrugType":"small molecule","HalfLife":"","Description":"VIT-100 was developed by ItherX Pharmaceuticals of San Diego. In preclinical studies, companyl has shown that VIT-100 inhibits the growth of cells taken from multiple keloid biopsies as compared to the same keloidal cells treated with a control. It is believed that similar effects would be seen in cells isolated from hypertrophic scars.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetic retinopathy, scar tissue, and vitreous hemorrhage.","Toxicity":"","MechanismOfAction":"VIT-100 is used for Proliferative Vitreoretinopathy (PVR), a serious eye disease characterized by uncontrolled cellular growth that can lead to retinal detachment and ensuing vision loss. It is expected to reduce the incidence of repeat retinal detachment in patients who undergo surgical repair.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05866","Name":"ETC-1001","DrugType":"small molecule","HalfLife":"","Description":"ETC-1001 is Pfizer’s lead oral small molecule product candidate which is intended to be a chronic treatment for individuals with lipid disorders.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hyperlipidemia.","Toxicity":"","MechanismOfAction":"ETC-1001 is a synthetic, orally-active lipid regulating agent designed to elevate levels of high-density lipoprotein cholesterol (HDL-C), the \"good\" cholesterol. In pre-clinical studies, it shows the ability to elevate HDL-cholesterol levels, while also reducing levels of low-density lipoprotein cholesterol (LDL-C), the \"bad\" cholesterol, and triglycerides. It also inhibits the progression of atherosclerosis in pre- clinical models.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05867","Name":"99mTc-14 F7 Mab","DrugType":"biotech","HalfLife":"","Description":"99mTc 14F7 Mab has strong anti tumor activity against myeloma cells in vivo. Growth inhibition and prolonged survival of the myeloma tumor were obtained as evidences of anti tumor effect after treatment with 99mTc 14F7 Mab. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in breast cancer.","Toxicity":"","MechanismOfAction":"The 99mTc 14F7 Mab has shown to bind specifically to GM3 (NeuGc) and that it also reacts with human breast and melanoma tumors in contrast with its low reactivity in normal tissues. N-Glycolyl GM3 is considered a heterophilic antigen since is not present in all species, humans are normally lacking them. The discovery of the presence of this molecule in significant amounts in breast tumors allowed considering it as an advantageous target for cancer immunotherapy.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05868","Name":"BILN 2061","DrugType":"small molecule","HalfLife":"","Description":"The compound, named BILN 2061, is an orally active inhibitor of the HCV NS3 protease and the first member of this new drug class to be tested in humans.","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"A distinguishing feature of the BILN 2061 inhibitor series is the presence of C-terminal carboxylic acid functionality. This provides exquisite selectivity with respect to other proteases, a property not easily attained with more conventional classes of covalent, reversible serine protease inhibitors. BILN 2061 blocks NS3 protease-dependent polyprotein processing in HCV replicon-containing cells. It is orally bioavailable in various animal species.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05869","Name":"CTI-01","DrugType":"small molecule","HalfLife":"","Description":"CTI-01 (ethyl pyruvate) is a novel anti-inflammatory agent for the treatment of critical inflammatory conditions. CTI-01 shows a potent anti-inflammatory and tissue protection activity in multiple animal models of disease including pancreatitis, ischemia-reperfusion injury, sepsis, renal injury and endotoxemia.","Classification":{"Description":"This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.","DirectParent":"Alpha Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Alpha Keto-Acids and Derivatives"},"Indication":"Investigated for use/treatment in burns and burn infections, cardiac surgery, inflammatory disorders (unspecified), ischemic reperfusion injury, and sepsis and septicemia.","Toxicity":"","MechanismOfAction":"CTI-01 inhibits the systemic release of cytokines, such as TNF-alpha and HMGB1, which promote the body's inflammatory response. The over-expression of these cytokines has been linked to diseases that occur in critical care settings, such as severe organ damage following cardiopulmonary bypass (CPB) and post-operative ileus following abdominal surgery.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05870","Name":"anti-alpha5Beta1-integrin antibody","DrugType":"biotech","HalfLife":"","Description":"Integrins are important adhesion molecules that regulate tumor and endothelial cell survival, proliferation and migration. The integrin alpha5beta1 has been shown to play a critical role during angiogenesis. anti-alpha5beta1 integrin antibody inhibits angiogenesis, including vessel formation induced by vascular endothelial growth factor (VEGF), basic fibroblast growth factor (bFGF), as well as other pro-angiogenic growth factors.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in colorectal cancer, pancreatic cancer, and solid tumors.","Toxicity":"","MechanismOfAction":"Anti-alpha5Beta1-integrin antibody is an anti-angiogenic antibody which targets the endothelium of tumor neovasculature and is being developed as a treatment for solid tumors.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05871","Name":"UC-781","DrugType":"small molecule","HalfLife":"","Description":"UC-781 is a thiocarboxanilide non-nucleoside reverse transcriptase inhibitor (NNRTI). It is a topical microbicide targeted against the AIDS virus.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"UC-781 is an HIV non-nucleoside reverse transcriptase inhibitor (NNRTI) that has shown in vitro to be very active specifically against HIV-1. UC-781 exhibits synergy with the NRTI zidovudine in vitro.[12] The combination of UC-781 and another candidate microbicide, cellulose acetate 1,2-benzenedicarboxylate, resulted in effective synergy for inhibition of HIV-1 in vitro and in peripheral blood mononuclear cells","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05872","Name":"PA mAb","DrugType":"biotech","HalfLife":"","Description":"PA mAb(ABthrax) is a human monoclonal antibody to Bacillus anthracis protective antigen that was discovered and developed by Human Genome Sciences. PA mAb has been shown to be effective in protecting against anthrax in multiple experimental models in animals. A single dose of PA mAb increases survival significantly in both rabbit and nonhuman primate models of inhalational anthrax. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in anthrax exposure and bacterial infection.","Toxicity":"","MechanismOfAction":"PA mAb has the potential to provide significant protection against anthrax infections when given prophylactically, and may lessen the natural progression of anthrax infection and increase survival if given as a post-exposure treatment. PA mAb also may prevent and treat infections by antibiotic-resistant strains of anthrax.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05873","Name":"AVI-4020","DrugType":"small molecule","HalfLife":"","Description":"AVI-4020 is a neugene antisense drug candidate for the treatment of patients with acute West Nile virus disease who have serious neurological impairment (WNV neuroinvasive disease).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in infectious and parasitic disease (unspecified) and viral infection.","Toxicity":"","MechanismOfAction":"AVI-4020 has rapid response therapeutics that plays a significant role in the future of antiviral therapeutics, especially in combating emerging infectious diseases that threaten public health or in combating bioterrorism.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05874","Name":"AEOL 10150","DrugType":"small molecule","HalfLife":"","Description":"AEOL 10150 is developed by Aeolus as a therapeutic agents based on its proprietary small molecule catalytic antioxidants. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in amyotrophic lateral sclerosis (ALS).","Toxicity":"","MechanismOfAction":"AEOL 10150 shows the ability to scavenge a broad range of reactive oxygen species, or free radicals. As a catalytic antioxidant, AEOL 10150 mimics and thereby amplifies the body's natural enzymatic systems for eliminating these damaging compounds. Because oxygen-derived free radicals are believed to have an important role in the pathogenesis of many diseases, aeolus' catalytic antioxidants are believed to have a broad range of potential therapeutic uses.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05875","Name":"substance P","DrugType":"biotech","HalfLife":"","Description":"Homspera is a generic name used by the Company to describe the synthetic peptide Sar9, Met (O2)11-Substance P. Sar9, Met (O2)11-Substance P is an analog of the naturally occurring human neuropeptide Substance P, which can be found throughout the body, including in the airways of humans and many other species. All of the Company's research and development efforts are in early, pre-clinical stages and Homspera, also known as Viprovex and Radilex, has only undergone exploratory studies to evaluate its biological activity in small animals.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in acute respiratory distress syndrome (ARDS) and viral infection.","Toxicity":"","MechanismOfAction":"The endogenous receptor for Substance P is neurokinin 1 receptor (NK1-receptor, NK1R). It belongs to the tachykinin receptor sub-family of GPCRs. Substance P has been shown to stimulate cellular growth in cell culture [2], and it was shown that Substance P could promote wound healing of non-healing ulcers in humans. [3] It has also been shown to reverse diabetes in mice.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05876","Name":"PDE4","DrugType":"small molecule","HalfLife":"","Description":"Merck has developed a selective PDE4 inhibitor for the treatment of inflammatory diseases, such as asthma and chronic obstructive pulmonary disease. Whereas the potential therapeutic utility of PDE4 inhibition has been demonstrated in various preclinical animal models (e.g., in rheumatoid arthritis and multiple sclerosis), clinical evaluation has been restricted by dose-limiting side effects, mainly nausea and emesis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in asthma and chronic obstructive pulmonary disease (COPD).","Toxicity":"","MechanismOfAction":"PDE4 is the major cAMP-metabolizing enzyme found in inflammatory and immune cells. PDE4 inhibitors have proven potential as anti-inflammatory drugs especially in airway diseases. They suppress the release of inflammatory signals, e.g., cytokines, and inhibit the production of reactive oxygen species. PDE4 inhibitors have a high therapeutic and commercial potential as non-steroidal disease controllers in inflammatory airway diseases such as asthma, COPD and rhinitis. PDE4 inhibitors may have an antidepressant action and have also recently been proposed for use as antipsychotic medications. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05877","Name":"PYY3-36","DrugType":"biotech","HalfLife":"","Description":"PYY3-36 (Peptide YY) is a naturally occurring hormone that is believed to function as a physiologic inhibitor of food intake. PYY is released into the blood stream from specialized endocrine cells (L-cells) in the gut after a meal and is believed to trigger the feeling of satiety, or fullness. Because PYY is a peptide, initial studies focused on PYY delivery by injection. Utilizing its proprietary drug delivery technology, Nastech developed the nasal spray formulation of PYY as a unique, non-invasive treatment option for obesity.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in obesity.","Toxicity":"","MechanismOfAction":"PYY3-36 exerts its action through NPY receptors, inhibits gastric motility and increases water and electrolyte absorption in the colon. PYY may also suppress pancreatic secretion. It is secreted by the neuroendocrine cells in the ileum and colon in response to a meal, and has been shown to reduce appetite. Research has also indicated that PYY may be useful in removing aluminium (aluminum) accumulated in the brain.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05878","Name":"AIR-Epinephrine","DrugType":"small molecule","HalfLife":"","Description":"AIR Epinephrine is an investigational inhaled dry powder formulation using Alkermes' AIR technology, which utilizes drug particles that can be delivered using small, simple inhalers. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in allergic reaction.","Toxicity":"","MechanismOfAction":"AIR technology in AIR-Epinephrine accommodates high drug doses, provides systemic delivery as well as local or targeted delivery to the lung, offers rapid onset of action and the potential for prolonged release. Alkermes is investigating several potential applications for its AIR technology including pulmonary insulin and pulmonary human growth hormone.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05879","Name":"AME-527","DrugType":"biotech","HalfLife":"","Description":"AME-527 is a humanized monoclonal antibody that recognizes human TNF-alpha (hTNF-alpha) with high affinity and specificity. AME-527 was generated by protein engineering and identified from a library of antibody variants based on its improved binding properties. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in rheumatoid arthritis.","Toxicity":"","MechanismOfAction":"AME-527 is approximately ten-fold more potent than Remicade(R) in binding to and neutralizing the hTNF-alpha molecule, and 6 to 8-fold more potent than Humira(TM). Tumor necrosis factor-alpha (TNF-alpha) has a key role in rheumatoid synovitis, as an inflammatory cytokine at the top of the inflammatory cascade. Blocking TNF-alpha with AME-527 or fusion proteins is an important and established disease intervention, validating the role of the cytokine in disease activity and progression.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05880","Name":"MBT-0312","DrugType":"small molecule","HalfLife":"","Description":"MediGene's newly acquired drug candidates MBT-0312 aim at a novel method of cancer therapy by \"starving out\" tumors. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"The already approved and accepted therapy of anti-angiogenesis (suppressing tumor vascularization), is complemented by MBT-0312. An innovative proprietary carrier system of lipid complexes facilitates a novel application method of established cytostatic drugs (e.g. Taxane), intended to cause specific attachment and destruction of tumor blood vessels (\"neovascular targeting\").","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05881","Name":"EHT 0202","DrugType":"small molecule","HalfLife":"","Description":"EHT 0202 is developed to treat neurodegenerative disorders by ExonHit Therapeutics.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease and neurologic disorders.","Toxicity":"","MechanismOfAction":"EHT 0202 was discovered to play a role in protecting neurons in pharmacological models of neuronal cell death. ExonHit identified RNA isoforms produced by alterations of splicing specifically taking place in neurodegenerative disease models. These isoforms were identified using DATAS(TM), ExonHit's proprietary gene profiling technology. DATAS(TM), stands for Differential Analysis of Transcripts with Alternative Splicing.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05882","Name":"CHF 4227","DrugType":"small molecule","HalfLife":"","Description":"CHF 4227 is a new selective estrogen receptor modulator (SERM). The compound has a high receptor affinity and has shown promising efficacy in the prevention of bone loss in animal models of osteoporosis. Additionally, the compound has shown no uterotrophic activity suggesting a potential therapeutic advantage over drugs normally used in postmenopausal therapy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in osteoporosis.","Toxicity":"","MechanismOfAction":"CHF 4227 binds with high affinity to the human estrogen receptor-alpha and beta. It compares favorably in efficacy and potency with raloxifene in preventing bone loss and in antagonizing EE2 stimulation of the uterus. This attribute along with the minimal uterine stimulation suggests a therapeutic advantage to CHF 4227 over EE2 or raloxifene for the treatment of postmenopausal women.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05883","Name":"ABX-PTH","DrugType":"biotech","HalfLife":"","Description":"ABX-PTH is a fully human monoclonal antibody generated by Abgenix's technology platform. This drug targets and neutralizes the action of parathyroid hormone (PTH) for the treatment of a secondary hyperparathyroidism.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in chronic renal failure and parathyroid disorders.","Toxicity":"","MechanismOfAction":"ABX-PTH is being developed for the treatment of secondary hyperparathyroidism (SHPT). SHPT is a chronic disorder that is frequently observed in patients with chronic kidney disease. Preclinical studies demonstrate ABX-PTH to be highly potent in vivo models of SHPT. ABX-PTH takes a novel approach to addressing secondary hyperparathyroidism (SHPT), because it directly lowers serum levels of free parathyroid hormone.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05884","Name":"HCV-086","DrugType":"small molecule","HalfLife":"","Description":"HCV-086 is a small molecule antiviral designed to block an enzyme required for the replication of the hepatitis C virus.","Classification":{"Description":"This compound belongs to the 2-phenylbenzofurans.","DirectParent":"2-Phenylbenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Phenylbenzofurans"},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"This drug inhibits polymerase enzyme which encourages hepatitis C virus (HCV) infections.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05885","Name":"UCB 44212","DrugType":"small molecule","HalfLife":"","Description":"UCB 44212 is indicated for the treatment of various types seizure disorders such as epilepsy, a neurological dysfunction in which excessive surges of electrical energy are emitted in the brain, and other disorders.","Classification":{"Description":"This compound belongs to the pyrrolidones. These are compounds containing a pyrrolidine ring which bears a ketone.","DirectParent":"Pyrrolidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Pyrrolidones"},"Indication":"Investigated for use/treatment in epilepsy.","Toxicity":"","MechanismOfAction":"UCB 44212 is effective in controlling the seizures associated with epilepsy. Some anticonvulsants are thought to generally depress central nervous system (CNS) function. Others, such as GABA inhibitors, are thought to target specific neurochemical processes, suppress excess neuron function, and regulate electrochemical signals in the brain.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05886","Name":"NV-18","DrugType":"small molecule","HalfLife":"","Description":"NV-18 is a product of the Novogen diphenolic synthetic analogue program that is creating drugs with diverse activities against specific types of cancer. Like phenoxodiol, NV-18 is broadly effective in the laboratory against almost all human cancer types, but NV-18 is distinctive in showing particular potency against melanoma and cholangiocarcinoma (cancer of the gall bladder).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"Like phenoxodiol, NV-18, is able to overcome and reverse those resistance mechanisms, rendering cancer cells susceptible to standard anti-cancer drugs including those based on the taxane and platinum structures that are highly effective at killing cancer cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05887","Name":"TAFA-93","DrugType":"small molecule","HalfLife":"","Description":"TAFA93 is a novel prodrug of the mTOR inhibitor rapamycin which has successfully completed Phase 1 clinical development. mTOR inhibitors are currently used in the prevention of organ rejection in transplantation, the treatment of autoimmune and oncological diseases, and as a component of coated stents for the treatment of coronary artery disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in transplant (rejection).","Toxicity":"","MechanismOfAction":"TAFA-93 has distinct mechanism of action than calcineurin inhibitors such as ISA247, Isotechnika’s lead drug. It has the pontential to be administered as a complementary therapy along with ISA247 in the prevention of organ rejection after transplantation.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05888","Name":"MEM 1414","DrugType":"small molecule","HalfLife":"","Description":"MEM 1414 is a PDE4 inhibitor that is being evaluated for the treatment of Alzheimer’s disease. This drug candidate has completed Phase 1 clinical trials. MEM 1414 works by blocking phosphodiesterase, an enzyme that breaks down an important brain chemical, cyclic AMP. It appears to work in the area of the brain where new memories are formed.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease, depression, memory loss, and neurologic disorders.","Toxicity":"","MechanismOfAction":"MEM 1414 is PDE4 inhibitor which is designed to selectively raise levels of cyclic adenosine monophosphate, or cAMP, by inhibiting the activity of PDE4, the enzyme which breaks down cAMP, and therefore they may be beneficial in restoring memory function. PDE4 inhibitors may also have potential therapeutic value in multiple other indications. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05889","Name":"CMC-544","DrugType":"biotech","HalfLife":"","Description":"CMC544 is an antibody-cytotoxic conjugate using linker and cytotoxic drug technology similar to that developed for the ground-breaking treatment Mylotarg (gemtuzumab ozogamicin), which was approved by the US FDA in 2000 for the treatment of acute myeloid leukaemia.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and lymphoma (non-hodgkin's).","Toxicity":"","MechanismOfAction":"CMC-544 is a CD22-targeted immunoconjugate of calicheamicin and exerts a potent cytotoxic effect against CD22+ B-cell lymphoma. CMC-544 is rapidly internalized upon binding of the antibody moiety to B cell-specific CD22 receptors, delivering the conjugated CalichDMH intracellularly; the CalichDMH moiety binds to the minor groove of DNA in a sequence-specific manner, resulting in double-strand DNA breaks and apoptosis. CalichDMH is a derivative of gamma calicheamicin, a cytotoxic antibiotic produced by the bacterium Micromonospora echinospora. CMC-544 confers strong therapeutic activity against systemic disseminated B-cell lymphoma.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05890","Name":"VEGF-AS","DrugType":"small molecule","HalfLife":"","Description":"VEGF-AS (Veglin) is an anti-angiogenesis non-chemotherapy drug (angiogenesis inhibitor) that was developed by VasGene Therapeutics, Inc. for the treatment of a variety of malignancies including mesothelioma. Veglin is one of several newly developed non-chemotherapy drugs being tested for possible utilization in the ongoing struggle to combat malignant mesothelioma.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.","Toxicity":"","MechanismOfAction":"(VEGF-AS)Veglin is an antisense oligonucleotide that binds with DNA genes that are responsible for the production of proteins called Vascular Endothelial Growth Factors (VEGF), with the intention of inhibiting their production. VEGF (Vascular Endothelial Growth Factor) is an essential family of naturally-occurring growth factors found in humans and other animals that stimulates growth and supports survival of cells of the vascular system. VEGF is necessary for production of the blood vessels that transport nutrients and oxygen to cells and organs (angiogenesis). Without these vessels, tumors have limited capacity to grow. In addition, certain tumor cells themselves express the receptors for VEGF, and use VEGF as a growth stimulus.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05891","Name":"HD-O","DrugType":"small molecule","HalfLife":"","Description":"HD-O is an amine derived by enzymatic decarboxylation of histidine. It is a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and also a centrally acting neurotransmitter.","Classification":{"Description":"This compound belongs to the imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.","DirectParent":"Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"Investigated for use/treatment in hepatitis (unspecified), hepatitis (viral, C), and liver disease.","Toxicity":"","MechanismOfAction":"Histamine, a natural molecule present in the body, and other molecules in the class known as histamine type-2, or H2, receptor agonists, bind to the H2 receptor on the phagocytes, temporarily preventing the production and release of oxygen free radicals. By preventing the production and release of oxygen free radicals, histamine based therapeutics may protect NK, T, and liver-type NK/ T cells. This protection may allow immune-stimulating agents, such as IL-2 and IFN-alpha, to activate NK cells, T cells and NK/ T cells more effectively, thus enhancing the killing of tumor cells or virally infected cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05892","Name":"RI 624","DrugType":"biotech","HalfLife":"","Description":"RI 624 is a novel humanized monoclonal antibody that blocks nerve growth factor (NGF), a key mediator of acute and chronic pain. RI 624 is being developed by Rinat and is currently in Phase I clinical trials.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in pain (acute or chronic).","Toxicity":"","MechanismOfAction":"RI 624 works very differently from all currently approved drugs for the treatment of pain. Unlike the other pain relievers, RI 624 primarily works to inhibit the production of NGF, rather than COX-2 for instance. NGF is a member of a family of proteins known as neurotrophins that plays a role in the growth of certain sensory neurons, an activity that appears to end at birth or shortly afterward. Pain-causing injury or inflammation induces the synthesis and stimulates the release of NGF in later stages of life. Scientific observation has shown that the up-regulation of NGF is a common component of the inflammatory response that initiates and sustains the pain sensation. NGF therefore appears to have profound direct and indirect stimulatory effects on the primary sensory neurons that mediate pain. RI 624 essentially blocks NGF from binding to its target area and thus impedes an imflammatory response.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05894","Name":"GT 389-255","DrugType":"small molecule","HalfLife":"","Description":"Peptimmune’s lead product GT 389-255, is a novel lipase inhibitor and fat binding hydrogel polymer conjugate for the treatment of obesity which has completed single and multiple ascending dose (SAD and MAD) Phase I trials. It is expected to block fat absorption with fewer side effects than currently marketed lipase inhibitors.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in obesity.","Toxicity":"","MechanismOfAction":"GT 389-255 is a novel conjugate of a proprietary pancreatic lipase inhibitor and a fatbinding hydrogel polymer for the treatment of obesity. GT 389-255 is a novel conjugate of a proprietary pancreatic lipase inhibitor and a fat binding hydrogel polymer for the treatment of obesity. It acts within the gastro-intestinal tract to prevent fat digestion and is expected to inhibit \u003e 30% of fat absorption. The novel conjugate is expected to have fewer side-effects than currently marketed therapies. The currently marketed pancreatic lipase inhibitor Orlistat, is associated with oily incontinence, caused by mal-absorbed triglycerides. GT 389-255 is expected to have minimal systemic exposure. Less than 1% of the lipase inhibitor is absorbed and the fat binding polymer is not absorbed.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05895","Name":"HGS-TR2J","DrugType":"biotech","HalfLife":"","Description":"HGS-TR2J is a novel agonistic human monoclonal antibody to TRAIL Receptor 2, in patients with advanced solid malignancies. It is developed by Human Genome Sciences, Inc and is under Phase I of clinical trial.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"HGS-TR2J binds TRAIL Receptor 2 with high affinity, induces apoptosis and has anti-tumor activity, both as a single agent and in combination with chemotherapy. HGS-TR2J mimics the activity of native TRAIL (tumor necrosis factor-related apoptosis-inducing ligand) and, thus, is considered an agonistic antibody. Numerous nonclinical studies have shown that cell lines derived from a broad array of solid and hematological human tumors, including lung, colon, breast, multiple myeloma, prostate and pancreas, are sensitive to killing by apoptosis (programmed cell death) induced by native TRAIL or by agonistic antibodies to TRAIL Receptors 1 and 2.2-24.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05896","Name":"Sirna-027","DrugType":"small molecule","HalfLife":"","Description":"Sirna-027 is a chemically modified short interfering RNA(siRNA) targeting Vascular Endothelial Growth Factor Receptor-1(VEGFR-1). VEGFR-1 is a key component of the clinically validated vascular endothelial growth factor (VEGF) pathway. Sirna-027 is developed by Sirna Therapeutics and is under the phase I of clinical trails. It is used to treat Macular degeneration.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in macular degeneration.","Toxicity":"","MechanismOfAction":"Sirna-027 is the first chemically optimized short interfering RNA (siRNA) to be tested in a human clinical trial. The compound targets Vascular Endothelial Growth Factor Receptor-1 (VEGFR-1), a key component of the clinically validated vascular endothelial growth factor (VEGF) pathway. VEGFR-1 is found primarily on vascular endothelial cells and is stimulated by both VEGF and placental growth factor (PlGF) resulting in the growth of new blood vessels. By targeting VEGFR-1, Sirna-027 is designed to reduce pathologic angiogenesis mediated by both VEGF and PlGF.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05897","Name":"rhIGFBP-3","DrugType":"small molecule","HalfLife":"","Description":"rhIGFBP-3 (recombinant human insulin-like growth factor binding protein-3) is Insmed’s proprietary anti-cancer compound that has demonstrated significant decreases in cancerous growth in several models of human. It is developed by Insmed and is currently under phase I of the clinical trail.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"rhIGFBP-3 is a protein that is normally found in our bloodstream that has been shown to induce cancer cell death in a variety of experimental systems. Several studies have demonstrated that cancer risk increases with decreasing levels of circulating IGFBP-3. IGFBP-3 can induce cell cycle arrest and enhance the efficacy of chemotherapeutic agents. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05898","Name":"CERE-110","DrugType":"small molecule","HalfLife":"","Description":"CERE-110 is a gene-therapy product that involves in vivo delivery of nerve growth factor (NGF) genes through an adeno-associated viral vector (AAV) delivery system. This drug is developed by Ceregene and currently under phase I of clinical trial.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease and gene therapy.","Toxicity":"","MechanismOfAction":"CERE-110 is composed of an AAV vector carrying the gene for Nerve Growth Factor (NGF), a naturally occurring protein that maintains survival of nerve cells in the brain. CERE-110 is surgically implanted by stereotactic injection into the NBM, a deep brain region where cholinergic cell degeneration occurs in Alzheimer's disease. The cholinergic system is important in memory and cognitive function, and a reversal in the blockade of this system may restore memory. Delivery of NGF using an AAV vector may have the potential to induce sustained expression of NGF, resulting in the restoration of normal functioning of the key neuronal cells affected in Alzheimer’s disease patients. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05899","Name":"IT-101","DrugType":"small molecule","HalfLife":"","Description":"IT-101 is a conjugate of Insert's proprietary drug delivery molecule, Cyclosert, and the potent anti-cancer compound camptothecin. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.","Toxicity":"","MechanismOfAction":"IT-101 is a combination of its patented polymer technology, Cyclosert(TM), and the anti-cancer compound camptothecin. Insert's proprietary Cyclosert delivery system is based on small cyclic repeating molecules of glucose called cyclodextrins. Using modified cyclodextrins as building blocks, Insert has developed an entirely new proprietary class of materials called linear cyclodextrin-containing polymers. To the company's knowledge, Cyclosert is the first nanoparticulate drug delivery platform to be designed de novo and synthesized specifically to overcome limitations in existing delivery technologies used for the systemic delivery of therapeutics. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05900","Name":"INSM-18","DrugType":"small molecule","HalfLife":"","Description":"INSM-18 is a small molecule tyrosine kinase inhibitor developed by Insmed for the treatment of prostate cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in prostate cancer.","Toxicity":"","MechanismOfAction":"INSM-18 shows selective inhibition of the insulin-like factor-I receptor (IGF-1) and human epidermal growth factor receptor, Her2/neu. These results suggest the molecule has enormous potential to eventually treat the 230,000 new cases of prostate cancer that occur every year in the United States.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05901","Name":"ABR-215757","DrugType":"small molecule","HalfLife":"","Description":"ABR-215757 is developed for the treatment of SLE (Systemic Lupus Erythematosus), which is an autoimmune disease. The disease affects mainly women of fertile age and progresses in flares with relatively symptom free periods in between. Current treatments of SLE are NSAID (nonsteroidal anti-inflammatory drugs), corticosteroids, antimalarians or cytotoxic drugs like for example Cyclophosphamide. The autoimmune attack affects several different organ systems and many patients suffer from serious secondary disease symptoms such as renal disorders as the disease progresses.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in rheumatoid arthritis and systemic lupus erythematosus.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05902","Name":"dust mite allergen extracts","DrugType":"small molecule","HalfLife":"","Description":"Dust mite allergen extracts is new allergy vaccine which is currently under clinical evaluation for the prevention or relief of symptoms caused by specific dust mite. It consists of a 50:50 mixture of the mite Dermatophagoides pteronyssinus and D. farinae protein derived from aqueous extracts of the mites which is chemically modified by glutaraldehyde and adsorbed onto -tyrosine with addition of the immunostimulatory adjuvant, monophosphoryl lipid A “Polymite”. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in allergic reaction and allergic rhinitis.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05903","Name":"KOS-1584","DrugType":"small molecule","HalfLife":"","Description":"KOS-1584 is a second-generation epothilone. Epothilones are anticancer agents with a taxane-like mechanism of action that have demonstrated activity in taxane-resistant tumors. KOS-1584 is a second-generation compound with increased potency, favorable tissue distribution, and ease of formulation. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"Epothilones are highly potent microtubulin stabilizing compounds with a similar mechanism of action to taxanes and broad applicability in a wide range of tumors. Epothilones are active in both taxane-sensitive and taxane-resistant cancers and have demonstrated low susceptibility to tumor resistance mechanisms.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05904","Name":"BLX-883","DrugType":"small molecule","HalfLife":"","Description":"BLX-883 is a form of alfa interferon developed by Biolex for the treatment of hepatitis viral C. Alfa interferon is used in the treatment of hepatitis C, hepatitis B, and multiple cancers and its worldwide sales currently exceed $3 billion.\r\n\r\n\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"BLX-883 is the first clinical-stage therapeutic candidate produced in Biolex' GMP facilities using its proprietary Lex System.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05905","Name":"TD-2749","DrugType":"small molecule","HalfLife":"","Description":"TD-2749 is selective 5-HT4 agonists discovered by Theravance through the application of multivalent drug design in a drug discovery program dedicated to finding new medicines for GI motility disorders such as chronic constipation, constipation-predominant irritable bowel syndrome (C-IBS), opioid-induced constipation, functional dyspepsia and diabetic gastroparesis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in constipation, gastrointestinal diseases and disorders (miscellaneous), gastroparesis, and irritable bowel syndrome (IBS).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05906","Name":"CCR5 mAb","DrugType":"biotech","HalfLife":"","Description":"CCR5 mAb is a fully human monoclonal antibody that specifically recognizes and binds the chemokine receptor CCR5, which is known to be a key facilitator of infection with human immunodeficiency virus (HIV-1). It was generated by HGS using the Abgenix XenoMouse technology. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"The chemokine receptor CCR5 provides a portal of entry for HIV-1 and serves a target for potential new antiretroviral therapies. CCR5 monoclonal antibodies (mAb) and small-molecule CCR5 antagonists potently block HIV-1 entry in vitro, and controlled clinical trials have provided initial proof-of-concept for this mode of therapy.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05907","Name":"AL-108","DrugType":"biotech","HalfLife":"","Description":"AL-108 is the first drug to improve memory performance by impacting the mechanisms that lead to physical damage in the brain caused by neurofibrillary tangles, one of the two established pathological hallmarks that are common to amnestic mild cognitive impairment (aMCI) and Alzheimer's disease (AD). AL-108 is derived from a naturally occurring neuroprotective brain protein known as activity dependent neuroprotective protein.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in alzheimer's disease and neurologic disorders.","Toxicity":"","MechanismOfAction":"AL-108 interacts with microtubules 1) preventing the formation of neurofibrillary tanges and protecting the network from a 'death signal' or 2) repairing the network if the brain cell death process has already begun. The restoration of the microtubule network explains the results shown in treated animals which have improved cognitive performance compared to untreated groups.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05909","Name":"cat hair allergenic extracts","DrugType":"small molecule","HalfLife":"","Description":"Cat hair allergenic extracts vaccine is developed by Greer Laboratories for the treatment of allergic reaction and allergic rhinitis. This vaccine has completed phase I of clinical trial.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in allergic reaction and allergic rhinitis.","Toxicity":"","MechanismOfAction":"A major allergen isolated from cat pelt and saliva has been recently described, and is referred to as cat allergen I (CAT-1). Cat soluble allergens could inhibit, to variable degrees, the binding of serum IgE from cat sensitive patients to insolubilized allergens. Binding of serum IgE from subjects sensitive only to cats was inhibited by cat extracts only. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05910","Name":"ALS-357","DrugType":"small molecule","HalfLife":"","Description":"ALS-357 is a novel drug entering phase I/II clinical development that has demonstrated potent anti-tumor activity against malignant melanoma. ALS-357 has shown promise in both in vitro and in vivo preclinical studies. Rapid tumor regression has been shown in a mouse model and no observable toxicity was seen even at high doses. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in melanoma.","Toxicity":"","MechanismOfAction":"ALS-357 operates by inducing apoptosis, or programmed cell death, in the tumor cells. The direct injection of ALS-357 into grafted human tumors induced apoptosis, or programmed cell death, within tumors.. It also exhibits low toxicity in animal model and it is relatively simple to manufacture.\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05911","Name":"RUS 3108","DrugType":"small molecule","HalfLife":"","Description":"RUS 3108 is being developed for the treatment of atherosclerosis, the major cause of cardiovascular disorders such as heart attacks and stroke by Dr. Reddy’s Laboratories. \r\nThe drug’s Phase I clinical trials have been initiated in Europe to assess safety of the drug compound in healthy volunteers. \r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in atherosclerosis.","Toxicity":"","MechanismOfAction":"RUS-3108 represents a new approach to the treatment of atherosclerosis. It is a first-in-class compound and works to directly modulate the disease through affecting multiple pathways involved in the disease process such as inflammation, proliferation and thrombosis by inducing a protein called perlecan. It has the potential to prevent the formation of atherosclerotic plaques and reverse atherosclerosis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05912","Name":"REN-850","DrugType":"small molecule","HalfLife":"","Description":"REN-850 is an oral drug for multiple sclerosis which is in Phase I of clinical trials.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in multiple sclerosis.","Toxicity":"","MechanismOfAction":"REN-850 acts by inhibiting leukocyte trafficking and modulating the cell migration driven by multiple chemokine receptors. The oral administration of REN-850 significantly reduces severity of outcomes in multiple in vivo models of multiple Sclerosis (MS) and rheumatoid arthritis (RA).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05913","Name":"OSI-930","DrugType":"small molecule","HalfLife":"","Description":"OSI-930 is an orally active inhibitor of two clinically validated targets: c-Kit and the vascular endothelial growth factor receptor-2 (VEGFR-2). OSI-930 is designed to target both cancer cell proliferation and blood vessel growth (angiogenesis) in selected tumors. In preclinical studies, OSI-930 shows broad efficacy in tumor models representative of small cell lung cancer, glioblastoma, colorectal, renal, head and neck, non-small cell lung cancer and gastric cancers.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"OSI-930 is a multi-targeted tyrosine kinase inhibitor that is designed to act as a potent co-inhibitor of the receptor tyrosine kinases c-Kit and VEGFR-2. The inhibition of the tyrosine kinase activity of Kit is expected to result in reduced cancer cell proliferation and increased cellular apoptosis in tumor types driven by Kit, resulting in inhibition of tumor growth. OSI-930 is also capable of inhibiting VEGFR-2. This receptor is present on endothelial cells and is a key mediator of blood vessel growth in response to the angiogenic growth factor VEGF. This pathway is believed to be the single most important mechanism for recruitment of new blood vessels in nearly all solid tumors. Inhibition of this pathway should therefore impact the growth and metastases of a wide range of angiogenesis-dependent malignancies. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05914","Name":"mesenchymal stem cells","DrugType":"small molecule","HalfLife":"","Description":"Mesenchymal stem cells (MSCs) from healthy donors improve cardiac function in experimental acute myocardial infarction (AMI) models. Osiris' stem cells are derived from human bone marrow. The source marrow is voluntarily donated by healthy adults between the ages of 18 and 30 years. Blood samples from the donor are screened prior to donation for transmissible diseases, including HIV and hepatitis, and the medical and social history of each donor is obtained to ascertain whether signs, symptoms or behaviors consistent with high risk for carrying a disease are present.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in heart disease and myocardial infarction.","Toxicity":"","MechanismOfAction":"Mesenchymal stem cells have a large capacity for self-renewal while maintaining their multipotency.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05915","Name":"MYO-029","DrugType":"biotech","HalfLife":"","Description":"MYO-029 is a human anti-GDF-8 monoclonal antibody, which is being developed to treat muscle-wasting diseases including muscular dystrophy and age-related sarcopenia. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in muscular dystrophy.","Toxicity":"","MechanismOfAction":"MYO-029 is used to treat muscular dystrophy. It binds to and inhibit the activity of myostatin (growth and differentiation factor 8 or GDF-8), a protein that prevents skeletal muscle formation. Muscular dystrophy is characterized by a progressive wasting and weakening of muscle fibers. The disorder can be classified into six major types, all of which are inherited. The common feature of these disorders is absence of one of several proteins involved in linking F-actin (a muscle fiber component) to the sheath of tissue surrounding the fiber.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05916","Name":"CT-011","DrugType":"biotech","HalfLife":"","Description":"CT-011 is a humanized monoclonal antibody directed against a B7 family-associated protein, in patients with advanced haematological malignancies. It is directed against human PD-1 (programmed cell death 1; PDCD1), with immunomodulating and antitumor activities.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"CT-011 blocks interaction between the receptor PD-1 with its ligands, PD-1 ligand 1 (PD-1L1) and PD-1 ligand 2 (PD-1L2), resulting in the attenuation of apoptotic processes in lymphocytes, primarily effector/memory T cells, and the augmentation of the anti-tumor activities of NK cells. PD-1 is an inhibitory receptor belonging to the B7-receptor family that is expressed on lymphocytes and myeloid cells; its ligands, PD-1L1 and PD-1L2, are expressed not only by hematopoietic cells but also by cells in non-lymphoid tissues.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05917","Name":"EP-1572","DrugType":"small molecule","HalfLife":"","Description":"AEZS-130 (EP-1572) is novel peptidomimetic growth hormone secretagogues (GHS) which represent a new class of pharmacological agents which have the potential to be used in numerous clinical applications. They include treatment for growth retardation in children and cachexia associated with chronic disease such as AIDS and cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in growth hormone deficiencies/abnormalities and metabolic disease.","Toxicity":"","MechanismOfAction":"Growth hormone secretagogues (GHS) are a potent regulator of lipid, sugar and protein metabolism, that directly stimulate growth hormone (GH) secretion from the pituitary gland without the involvement of Growth Hormone Releasing Hormone (GH-RH) or somatostatin. The lead development candidate, EP-1572 is a novel peptidomimetic GHS with potent and selective GH-releasing activity in humans.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05918","Name":"LS11","DrugType":"small molecule","HalfLife":"","Description":"LS11(talaporfin sodium) is an agent consisting of chlorin e6, derived from chlorophyll, and L-aspartic acid with photosensitizing activity. After intratumoral activation by light emitting diodes, taporfin sodium forms an extended high energy conformational state that generates singlet oxygen, resulting in free radical-mediated cell death. It is used to treat many kinds of cancers.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in macular degeneration.","Toxicity":"","MechanismOfAction":"Light Sciences Oncology (LSO) aims to en-light-en cancer patients. Light Sciences has developed Light Infusion Therapy (Litx) which is a novel treatment for solid tumors. The therapy involves inserting a flexible light-emitting diode (LED) into a tumor, followed by an injection of LS11 (talaporfin sodium), a light-activated drug. Once the LED activates LS11, molecular oxygen is converted into singlet oxygen, killing tissue within the LED's scope and shutting down the blood supply to the area. The treatment is designed for use on three types of cancers: hepatoma (liver cancer), metastatic colorectal cancer, and Gioma (brain tumor).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05919","Name":"DDP-200","DrugType":"small molecule","HalfLife":"","Description":"DDP200 is developed by Dynogen for the treatment of non-incontinent form of overactive bladder (OAB) with particular focus on both male and female patients with urinary frequency, urinary urgency and nocturia.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in urinary incontinence.","Toxicity":"","MechanismOfAction":"DDP200 is an oral, fixed dose, combination of gabapentin and oxybutynin. Oxybutynin is prescribed to treat symptoms of lower urinary tract disorders such as overactive bladder (OAB), while gabapentin is prescribed for the management of postherpetic neuralgia and epilepsy. Dynogen’s combination of the two drugs has shown statistically significant synergy in Dynogen’s preclinical models of OAB, suggesting that a low dose combination of the two drugs will have improved efficacy over oxybutynin alone, without the side effects seen at higher doses. The combination of the two drugs has important characteristics: it affects both the afferent and efferent neurological pathways serving the bladder, and therefore may have benefits for both the sensory and motor aspects of OAB. Dynogen expects the synergy between the two compounds to increase the efficacy and tolerability profiles compared to market leading drugs for OAB.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05920","Name":"RTA 744","DrugType":"small molecule","HalfLife":"","Description":"RTA 744 is a novel anthracycline derivative that crosses the blood-brain barrier and shows significant potential for the treatment of primary and metastatic brain cancers. Anthracyclines are one of the most broadly used and effective classes of cancer therapies; however, they are not used to treat brain cancers because current therapies do not cross the blood-brain barrier.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in brain cancer.","Toxicity":"","MechanismOfAction":"RTA 744 is a substance being studied in the treatment of adult brain tumors. RTA 744 crosses the blood-brain barrier and blocks an enzyme needed for cancer growth. RTA 744 is a type of topoisomerase inhibitor. Also called topoisomerase II inhibitor RTA 744.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05921","Name":"CRA-024781","DrugType":"small molecule","HalfLife":"","Description":"CRA-024781 is a novel, broad-spectrum hydroxamic acid-based inhibitor of histone deacetylase (HDAC) with potential antineoplastic activity. It is being developed by Celera Genomics for the treatment of cancer and currently under Phase I of clinical trail.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"CRA-024781 is a novel histone deacetylase (HDAC) inhibitor. HDAC inhibitors target HDAC enzymes and inhibit the proliferation of cancer cells and induce cancer cell death, or apoptosis (1). Histone deacetylation is carried out by a family of related HDAC enzymes. Inhibition of these enzymes causes changes to chromatin structure and to gene expression patterns, which results in the inhibition of proliferation of cancer cells, and induction of apoptosis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05922","Name":"Hedgehog pathway inhibitor","DrugType":"small molecule","HalfLife":"","Description":"Hedgehog pathway inhibitor(Cyclopamine) is naturally occuring steroidal alkaloid that causes cyclopia by blocking sonic hedgehog signaling. Cyclopamine is currently being investigated as a treatment agent in basal cell carcinoma, medulloblastoma, and rhabdomyosarcoma, tumors that result from excessive Hh activity, glioblastoma, and as a treatment agent for multiple myeloma. It is currently under phase I of clinical trial.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in basal cell carcinoma and cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"Hedgehog pathway inhibitor inhibits the hedgehog signaling pathway (Hh) by influencing the balance between the active and inactive forms of the Smoothened protein. \r\nThe Hedgehog cell-signaling pathway is normally active during embryonic development in regulating tissue and organ formation. When abnormally activated in adults, however, the Hedgehog pathway is believed to play a central role in allowing the proliferation and survival of certain cancer-causing cells, including in certain deadly cancers such as pancreatic cancer, prostate cancer, small cell lung cancer, breast cancer and certain brain cancers. In addition, recent evidence also points to an important potential role for the Hedgehog pathway in cancer stem cells. Cancer stem cells are progenitor cells suspected to be primarily responsible for tumor growth, survival and metastasis, despite treatment with conventional chemotherapeutic agents.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05923","Name":"ECO-4601","DrugType":"small molecule","HalfLife":"","Description":"ECO-4601 is a proprietary first-in-class small molecule with the potential to treat multiple solid tumours like the well known chemotherapeutics, doxorubicin and mitomycin C. ECO-4601 is a natural product derived from a non-pathogenic micro-organism. Discovered using Thallion’s DECIPHER technology, ECO-4601 has completed preclinical studies conducted by the National Cancer Institute and Thallion to establish safety and efficacy in animal and in vitro models.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"ECO-4601 demonstrates broad in vitro cytotoxic activity across a diverse panel of tumour cell lines and in vivo efficacy in a number of xenograft tumour models. Preclinical data suggest that ECO-4601 is a targeted anti-cancer agent with dual activity: selective binding to the peripheral benzodiazepine receptor (PBR) and inhibition of the Ras-MAPK pathway. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05924","Name":"NLX-P101","DrugType":"small molecule","HalfLife":"","Description":"NLX-P101, gene therapy is developed by Neurologix to treat Parkinson’s disease. The gene is glutamic acid decarboxylase (GAD), whose product synthesizes the major inhibitory neurotransmitter in the brain, (gamma)-aminobutyric acid (GABA), and targets the subthalamic nucleus (STN), which is overactive in patients with Parkinson’s disease. NLX-P101 is being evaluated as a therapeutic drug when injected into this deep brain structure that is known to function abnormally in Parkinson’s patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in parkinson's disease.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05925","Name":"alprazolam lingual spray","DrugType":"small molecule","HalfLife":"","Description":"Alprazolam lingual spray is developed by NovaDel Pharma Inc. which is engaged in the development of novel drug delivery systems for prescription and over-the-counter drugs. NovaDel's vision for an alprazolam lingual spray is one that could be used by patients prone to suffering from anxiety in the face of certain predictable stimuli (e.g., closed-in spaces, airplane flight, public speaking, etc.). Such patients could successfully navigate such settings by dosing just prior to the event or at the moment when they encounter such a situation.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in anxiety disorders.","Toxicity":"","MechanismOfAction":"The Company's proprietary lingual spray technology delivery system offers the patient the potential for (i) fast onset of action; (ii) improved drug safety by reducing the required drug dosage and reducing side effects; (iii) improved patient convenience and compliance; and (iv) enhanced dosage reliability. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05926","Name":"Actyve hormone therapy","DrugType":"small molecule","HalfLife":"","Description":"Actyve hormone therapy employs Vyteris' proprietary Actyve(TM) transdermal drug delivery technology, which is positioned to provide a safe and effective method of delivering drugs via a pre-programmed regulating system that mimics the body's natural rhythms, a characteristic important in the delivery of therapeutics for the treatment of infertility. The Company's Actyve(TM) transdermal technology uses an integrated circuit to control a small amount of current that delivers drugs through the skin. This process is called iontophoresis. The two-component system employs a transdermal patch containing the drug and a small battery-powered controller that precisely controls the rate and amount of drug released from the patch. The level of control is intended to mimic IV or infusion pump delivery without needles.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hormone deficiencies and infertility.","Toxicity":"","MechanismOfAction":"Vyteris Actyve(TM) transdermal drug delivery technology delivers potentially therapeutic levels of a peptide that is used to treat infertility, in humans. Actyve hormone therapy delivers the peptide for the treatment of female infertility. The peptide could be delivered 24 hours a day in short pulses, to induce ovulation through this technology. The Vyteris smart patch system delivers drug directly to the blood stream, avoiding metabolism by the liver, and reducing the stomach and gastrointestinal upsets that can be associated with oral drug administration. The system is convenient to use and provides a relatively pain free application, avoiding the major drawback of injections and intravenous delivery, and delivers drug doses automatically, minimizing concerns about patient compliance.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05928","Name":"CHIR-258","DrugType":"small molecule","HalfLife":"","Description":"CHIR-258 is an orally active small molecule that exhibits potent inhibitory activity against multiple RTKs involved in tumor growth and angiogenesis. Preclinical data show that CHIR-258 works to inhibit multiple kinases associated with different cancers, including acute myeloid leukemia (AML) and multiple myeloma. Chiron currently has three ongoing Phase I clinical trials for CHIR-258.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in multiple myeloma and solid tumors.","Toxicity":"","MechanismOfAction":"Unlike many kinase inhibitors that only target vascular endothelial growth factor (VEGF), CHIR-258 inhibits receptors in the fibroblast growth factor (FGF ) pathway, as well as VEGF and platelet-derived growth factor (PDGF). FGF receptor tyrosine kinase inhibition is potentially of therapeutic significance to a group of myeloma patients whose cancer cells express high levels of surface FGF receptors.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05929","Name":"GPI-0100","DrugType":"small molecule","HalfLife":"","Description":"GPI-0100 is Avantogen’s lead adjuvanat-immunopotentiator, a key component of vaccines for boosting the immune response.\r\nThe GPI-0100 adjuvant, which has been shown to significantly enhance the immune response with a variety of vaccines, has been shown to have good overall performance characteristics on safety and efficacy. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in breast cancer, kidney cancer, leukemia (myeloid), melanoma, neuroblastoma, ovarian cancer, and prostate cancer.","Toxicity":"","MechanismOfAction":"A proprietary semi-synthetic saponin derivative, GPI-0100 acts by up-regulating the body's immune system and stimulating both humoral and an effective T-cell immunity with CTL production. Compared with other immune stimulatory saponins, GPI-0100 has superior stability and safety profile, making it an ideal candidate for the development of novel therapeutics or preventive vaccines.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB05930","Name":"SB-559448","DrugType":"small molecule","HalfLife":"","Description":"SB-559448 is a small-molecule drug that mimics the activity of thrombopoietin (TPO), a protein factor that promotes growth and production of blood platelets. This drug is developed by GlaxoSmithKline and used to treat Thrombocytopenia.Thrombocytopenia (decreased platelet count) is a common side effect of many chemotherapies and can lead to uncontrolled bleeding, thus representing a significant problem in the treatment of cancer patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in thrombocytopenia.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06038","Name":"ITMN-191","DrugType":"small molecule","HalfLife":"","Description":"ITMN 191 is a novel oral HCV NS3/4A protease inhibitor being developed by InterMune. ITMN 191 to be metabolized by multiple isoforms of the cytochrome P450 (CYP) enzyme system. ITMN 191 did not inhibit isoforms 1A2, 2C19, 2C9, or 2D6, but did reduce activity of isofom 3A4 by about one-third; this has implications for drug interactions.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"ITMN-191 is a NS3/4A protease inhibitor. The HCV NS3/4A protease is an attractive drug target because of its potential involvement in viral replication and suppressive effects on host response to viral infection. Inhibitors of the HCV protease, such as ITMN-191, represent a promising new class of drugs for HCV.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06039","Name":"PA-1050040","DrugType":"small molecule","HalfLife":"","Description":"PA1050040, a second generation HIV-1 maturation inhibitor, is a chemical analog of Bevirimat (BVM). It inhibits virus replication by the same mechanism of action as BVM.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"Like protease inhibitors, PA-1050040 and other maturation inhibitors interfere with protease processing of newly translated HIV polyprotein precursor, called gag. This molecule contains a number of HIV proteins in a single polypeptide which is then cleaved by the enzyme protease to produce functional structural proteins. However, unlike the protease inhibitors, PA-1050040 binds the gag protein, not protease. Once bound to gag, PA-1050040 prevents a critical cleavage at a site called the capsid-SP1 junction. The resulting virus particles lack functional capsid protein and have structural defects, rendering them incapable of infecting other cells. For reasons not entirely understood, protease inhibitor-resistant HIV-1 was hypersensitive to PA-1050040 in vitro.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06042","Name":"ZEN-012","DrugType":"small molecule","HalfLife":"","Description":"ZEN-012 is a novel small molecule and the first anti-cancer drug in development involving two mechanisms of action: tubulin and topoisomerase II inhibition. ZEN-012 also expresses additional modes of action such as pro-apoptotic and anti-angiogenic properties. It is developed for the treatment of solid tumors.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"Mode of action studies revealed that the compound ZEN-012 inhibits the polymerization of ß-tubulin in low micromolar concentrations. Competition studies suggest that ZEN-012 interacts with the same binding site on microtubules as colchicine. ZEN-012 destroys the mitotic spindles of the cancer cells, arrests the cancer cells in G2/M phase at low concentrations, mediates DNA fragmentation via inhibition of topoisomerase II and induces apoptosis via various mechanisms.","Pharmacodynamics":"In vitro: ZEN-012 has shown potent in vitro anti-proliferative activity at nanomolar concentrations against human tumor cell lines of different origin. ZEN-012 is active in tumor cell lines which are resistant to cisplatin and doxorubicin as well as to tubulin inhibitors such as vincristine and paclitaxel. Furthermore, it was shown thatZEN-012 is a catalytic inhibitor of the enzyme topoisomerase II with the same potency as amsacrine.\r\n\r\nIn vivo: Given orally once or twice weekly, ZEN-012 proved to be a potent inhibitor of in vivo tumor growth in mammary, lung, renal, colon, melanoma xenograft models as well as in leukemia cancer models at well tolerated doses (16-40mg/kg). Furthermore,ZEN-012 showed good safety and toxicity profiles in a series of rodent and non-rodent studies. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06058","Name":"XTL-6865","DrugType":"small molecule","HalfLife":"","Description":"XTL-6865 is a combination of two fully human monoclonal antibodies (Ab68 and Ab65) against the hepatitis C virus E2 envelope protein. It is being developed to prevent HCV re-infection following a liver transplant and for the treatment of chronic HCV disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in hepatitis (viral, C).","Toxicity":"","MechanismOfAction":"XTL-6865 is a dual-antibody (Ab68 and Ab65) therapy directed against the highly mutagenic hepatitis C E2 envelope protein and intended therefore to inhibit viral entry into host cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06060","Name":"ADX-48621","DrugType":"small molecule","HalfLife":"","Description":"ADX-48621 is a metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator (NAM), which may have potential in multiple indications including depression and anxiety. ADX48621 also could play a role as a backup compound for ADX10059 in GERD and migraine.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in depression.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06061","Name":"AZD-8330","DrugType":"small molecule","HalfLife":"","Description":"AZD-8330 is a potent, selective, orally active MEK inhibitor that blocks signal transduction pathways implicated in cancer cell proliferation and survival. AZD-8330 has shown tumor suppressive activity in multiple preclinical models of human cancer including melanoma, pancreatic, colon, lung, and breast cancers.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"AZD8330 specifically inhibits mitogen-activated protein kinase kinase 1 (MEK or MAP/ERK kinase1), resulting in inhibition of growth factor-mediated cell signaling and tumor cell proliferation. MEK is a key component of the RAS/RAF/MEK/ERK signaling pathway that regulates cell growth; constitutive activation of this pathway has been implicated in many cancers.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06062","Name":"XOMA 052","DrugType":"biotech","HalfLife":"","Description":"XOMA 052 is a potent anti-inflammatory monoclonal antibody targeting IL-1b and is being developed as a modulator of cytokine imbalance in IL-1 mediated disease states. It has a very high binding affinity of 300fM and blocks the activation of IL-1 receptors. XOMA 052 is also an IgG2 isotype, which reduces the possibility of antibody dependent cellular cytotoxicity. Blocking IL-1β with XOMA 052 offers a novel approach to the treatment and control of Type 2 diabetes.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"There is evidence that blocking the IL-1 pathway has improved the control of blood glucose. In the presence of high blood glucose, IL-1 beta concentration in the pancreas increases. This increase in IL-1 beta is toxic to the insulin-producing pancreatic islet cells. Death of pancreatic islet cells reduces the production of insulin, contributing to a loss of control of blood glucose levels. Eventually this destructive cycle leads to Type 2 diabetic patients requiring insulin therapy to compensate for their inability to produce insulin. Blocking IL-1 beta may improve insulin production by breaking this cycle and preserving pancreatic islet cells.","Pharmacodynamics":"In diabetes, insulin production progressively deteriorates over time, partly because of IL-1b mediated beta cell destruction. IL-1b inhibits the function and promotes apoptosis (programmed cell death) of pancreatic beta cells, thus impairing beta cell proliferation, reducing insulin secretion, and continuing this destructive cycle. Proof of concept in patients with Type 2 diabetes has been demonstrated by blocking the IL-1 pathway. Blocking IL-1β with XOMA 052 offers a novel approach to the treatment and control of Type 2 diabetes.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06063","Name":"CAM-2029","DrugType":"small molecule","HalfLife":"","Description":"CAM2029 is a new ready-to-use, long-acting octreotide formulation being developed for the long-term treatment of acromegaly, carcinoid syndrome and vasoactive intestinal peptide (VIP)-producing tumours. CAM2029 was found to provide long-acting release of octreotide resulting in a statistically significant suppression of a clinical biomarker insulin-like growth factor 1 (IGF-1) over the target one-month therapeutic period.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in acromegaly and cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06064","Name":"KAI-1455","DrugType":"small molecule","HalfLife":"","Description":"KAI-1455 is a selective epsilon protein kinase C (εPKC) activator designed to reduce ischemic organ injury during procedures where blood supply may be compromised, such as coronary artery bypass grafting (CABG), congenital cardiac defect repair, and hip replacement and may protect against renal injury associated with contrast media. Several studies have demonstrated that epsilon PKC plays a key role in cytoprotection during periods of ischemia. In preclinical studies, KAI-1455 showed a dramatic reduction in infarct size when delivered prior to the ischemic insult.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in ischemic reperfusion injury.","Toxicity":"","MechanismOfAction":"KAI-1455 is a selective epsilon protein kinase C (εPKC) activator. It reduces damage during surgical procedures, such as coronary artery bypass grafting, vascular surgery and pediatric cardiac surgery N.B. begun dosing protein tyrosine phosphatase 1B (PTP1B).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06066","Name":"ARD-07","DrugType":"small molecule","HalfLife":"","Description":"ARD-07 is a peptidomimetic analog of hexarelin. It is developed for the diagnosis of growth hormone deficiency in adults.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in growth hormone deficiencies/abnormalities and hormone deficiencies.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06069","Name":"XMT-1001","DrugType":"small molecule","HalfLife":"","Description":"XMT-1001 is a polymer-based prodrug of camptothecin (CPT), a well-characterized topoisomerase I inhibitor with potent anti-tumor activity. It is a water-soluble macromolecular conjugate of camptothecin (CPT). In this novel CPT pro-drug, CPT is conjugated with a 70 kDa biodegradable hydrophilic polyacetal, poly (1-hydroxymethylene hydroxylmethylformal). XMT-1001 has demonstrated an improved therapeutic window as compared with CPT and irinotecan in human tumor xenografts models","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"XMT-1001 is Mersana’s most advanced Fleximer®-based product candidate. It utilizes a novel, dual release mechanism to liberate a camptothecin prodrug, which is then converted within cells into camptothecin, a DNA topoisomerase I inhibitor. It is a potent inhibitor of LS174 and A2780 human tumor xenografts in a mouse model.\r\n","Pharmacodynamics":"In preclinical studies, XMT-1001 was better tolerated and more efficacious than either camptothecin or irinotecan in models of human cancer, showing extended plasma half-life and high concentrations in tumor tissue. The Phase I results show that, in humans, camptothecin, the active agent in XMT-1001, is released gradually from the Fleximer carrier as a pro-drug in a manner that will potentially avoid common safety problems associated with drugs in this class.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06070","Name":"SNX-5422","DrugType":"small molecule","HalfLife":"","Description":"SNX-5422 is a synthetic, novel, small molecule Hsp90 Inhibitor. As an oral formulation that demonstrates strong efficacy and tolerability, SNX-5422 is positioned as a breakthrough therapy with broad applicability across a wide range of cancers.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"SNX-5422 is a direct, potent inhibitor of Hsp90 across a broad range of human cancer cell lines and causes degradation of important Hsp90 client proteins including HER2, AKT and ERK.","Pharmacodynamics":"SNX-5422 is under development by Serenex. It is orally administered (pill form). Once in the body, SNX-5422 is converted to SNX-2122; that is, SNX-5422 is a prodrug of SNX-2112, which is the active form.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06071","Name":"DTS-201","DrugType":"small molecule","HalfLife":"","Description":"DTS-201 is a prodrug of doxorubicin, a widely used anti-cancer drug that Diatos intends to develop for the treatment of various solid tumors. It is activated in the tumor environment.\r\nDTS-201 may be suitable for the treatment of many types of solid tumors, including tumors sensitive to doxorubicin and potentially other tumors which are not currently treated with doxorubicin but which express high levels of CD-10* or TOP** peptidases, such as prostate cancer, colorectal cancer, melanoma, pancreatic cancer and some types of renal cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"DTS-201 is a prodrug: it remains inactive while circulating in the blood stream and healthy tissues and does not enter cells. In the vicinity of tumors, extracellular enzymes overexpressed and oversecreted specifically in the tumor environment cleave DTS-201 to yield an intermediate, L-dox (leucyl doxorubicin), which is capable of penetrating cells. Once in the cell, intracellular peptidases release free doxorubicin which is then able to interact with its targets.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06073","Name":"CTS-21166","DrugType":"small molecule","HalfLife":"","Description":"CTS-21166 is a small-molecule beta-secretase inhibitor, which is being developed as a disease-modifying treatment for Alzheimer's disease. CTS-21166 is the only BACE1 inhibitor that has passed Phase I clinical trial thus far. In 2008, CoMentis revealed this small compound as a transition-state analog inhibitor (structure is currently undisclosed) with excellent properties in brain penetration, selectivity, metabolic stability, and oral availability; all of these have met the requirements of an ideal oral drug candidate.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in alzheimer's disease.","Toxicity":"","MechanismOfAction":"Beta secretase is the enzyme thought responsible for causing Alzheimer’s. CTS-21166 is a highly selective, potent and orally active beta-secretase inhibitor.","Pharmacodynamics":"CTS-21166 produced a rapid and significant reduction of plasma amyloid beta, a key biomarker that is believed to be involved in the pathogenesis of Alzheimer's disease. CTS-21166 demonstrated excellent pharmacokinetic properties including dose proportional exposure and very low inter-subject pharmacokinetic variability.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06080","Name":"ABT-869","DrugType":"small molecule","HalfLife":"","Description":"ABT-869 is a small molecule vascular endothelial growth factor (VEGF) receptor-based kinase inhibitor that is designed to suppress tumor growth by preventing the formation of new blood vessels that supply the tumor with oxygen and nutrients and by inhibiting key angiogenic signaling pathways. ABT-869 is intended for the treatment of hematologic malignancies and the solid tumors.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in leukemia (myeloid), myelodysplastic syndrome, and solid tumors.","Toxicity":"","MechanismOfAction":"ABT-869, a multi-targeted receptor tyrosine kinase inhibitor, has been shown to inhibit of all members of the VEGF and PDGF receptor families (e.g., KDR IC50 value of 4 nM), and have less activity (IC50 values \u003e1 µM) against unrelated receptor tyrosine kinases, soluble tyrosine kinases and serine/threonine kinases. In addition, it exhibits potent anti-proliferative and apoptotic effects on tumor cells dependent on mutant, constitutively active, FLT3 and KIT kinases.","Pharmacodynamics":"ABT-869 was effective in a broad range of cancers including small cell lung carcinoma, colon carcinoma, breast carcinoma and MV4-11 tumors in vitro and in vivo. ABT-869 induced significant apoptosis in cells with FLT3 mutation in vitro (IC50 value of 4 nM) and profound anti-leukemic effect in a mouse xenograft model. However, in vitro ABT-869 only shows minimal cytotoxic effect on AML cells with wild-type FLT3. Based on the preclinical studies suggesting the role of VEGF pathways in leukemogenesis, it is likely that the anti-leukemic effect of ABT-869 will be best evaluated in vivo.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06089","Name":"ICA-105665","DrugType":"small molecule","HalfLife":"","Description":"ICA-105665 is a novel small molecule compound for the treatment of epilepsy. It is a novel opener of the KCNQ ion channel which in preclinical studies has demonstrated a broad spectrum of activity in models of epilepsy. In addition, ICA-105665 has also demonstrated activity in certain models of neuropathic pain.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in epilepsy.","Toxicity":"","MechanismOfAction":"ICA-105665 is an activator of subtypes of KCNQ ion channels, which are attractive targets for the treatment of epilepsy based on their function and genetic linkage to a seizure disorder.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06090","Name":"TC-5619","DrugType":"small molecule","HalfLife":"","Description":"TC-5619, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). TC-5619 belongs to a new class of drugs for the treatment of central nervous system diseases and disorders.","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"Investigated for use/treatment in neurologic disorders.","Toxicity":"","MechanismOfAction":"TC-5619, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). The α7 NNR is associated with a variety of biological functions. In particular, the α7 NNR has been shown in animal studies to be an essential regulator of both inflammation arising from injury or infection and cognitive functions. α7 NNR plays a role in protecting neuronal cells from deterioration and death, a process known as neuroprotection.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06093","Name":"ABT-560","DrugType":"small molecule","HalfLife":"","Description":"ABT-560 is a neuronal nicotinic receptor (NNR) modulator, which has shown promise in preclinical models relevant for the treatment of cognitive deficits.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in neurologic disorders.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06094","Name":"OGX-427","DrugType":"small molecule","HalfLife":"","Description":"OGX-427 is a second generation antisense drug which in preclinical experiments, inhibits production of Heat Shock Protein 27 (Hsp27) a cell survival protein found at elevated levels in many human cancers including prostate, lung, breast, ovarian, bladder, renal, pancreatic, multiple myeloma and liver cancer.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"OGX-427 significantly decreases levels of Hsp27, induces apoptosis in several human cancer cell lines, has single agent anti-tumor activity, and acts as a chemosensitizer in combination with several cytotoxic drugs including docetaxel.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06096","Name":"NXN-188","DrugType":"small molecule","HalfLife":"","Description":"NXN-188 is a first-in-class, dual-action small molecule incorporating both neuronal nitric oxide synthase (nNOS) inhibition and 5-HT agonism that is being developed for the treatment of acute migraine.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in migraine and cluster headaches.","Toxicity":"","MechanismOfAction":"NXN-188 is a first-in-class, dual-action, small molecule that is being developed for the treatment of acute migraine and which incorporates both 5-HT agonism (the mechanism of action of triptans, the current standard of care in migraine therapy) and nNOS inhibition. NOS is a validated target for migraine therapy as migraine models indicate that nNOS inhibition can relieve pain. Additionally, nitric oxide induces migraines in migraineurs, while the inhibition of NOS has been demonstrated to relieve migraine pain.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06097","Name":"GSK-923295","DrugType":"small molecule","HalfLife":"","Description":"GSK-923295 is a small-molecule inhibitor of the mitotic kinesin centromere-associated protein E (CENP-E), and the third novel drug candidate to arise from Cytokinetics' broad strategic alliance with GlaxoSmithKline (GSK). GSK-923295 demonstrated a broad spectrum of activity against a range of human tumor xenografts grown in nude mice, including models of colon, breast, ovarian, lung and other tumors. GSK-923295 is the first drug candidate to enter human clinical trials that specifically targets CENP-E and is currently in Phase I human clinical trials being conducted by GSK.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.","Toxicity":"","MechanismOfAction":"GSK-923295 is an inhibitor of the mitotic kinesin centromere-associated protein E (CENP-E). CENP-E plays an essential role in chromosome movement during early cell division or mitosis and integrates mitotic spindle mechanics with regulators of the mitotic checkpoint regulating cell-cycle transition from metaphase to anaphase. Inhibition of CENP-E induces cell cycle arrest during cell duplication leading to subsequent apoptosis or cell death.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06098","Name":"PRLX 93936","DrugType":"small molecule","HalfLife":"","Description":"PRLX 93936 is selectively toxic to cancer cells.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in solid tumors.","Toxicity":"","MechanismOfAction":"PRLX 93936 appears to inhibit mitochondrial outer membrane protein VDACs (voltage-dependent anion channels) 2 and 3, resulting in an oxidative, non-apoptotic cell death.","Pharmacodynamics":"PRLX 93936 shows robust and selective toxicity in a wide variety of tumor cell-lines, and causes complete tumor regression in mouse xenograft models of fibrosarcoma, pancreatic cancer, ovarian cancer, colon cancer, and melanoma.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06101","Name":"IMC-1C11","DrugType":"biotech","HalfLife":"","Description":"IMC-1C11 is an anti-angiogenesis agent. It is a chimeric anti-kinase insert domain-containing receptor (KDR) antibody that blocks VEGFR-KDR interaction and inhibits VEGFR-induced endothelial cell proliferation. IMC-1C11 is used for treatment of patients with liver metastases from colorectal carcinoma.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified).","Toxicity":"","MechanismOfAction":"IMC-1C11 is a chimerized antibody that targets the KDR receptor (also referred to as VEGFr) on vascular endothelial cells by inhibiting binding of the essential ligand, vascular endothelial growth factor (VEGF), to its receptor. KDR is a key receptor associated with tumor angiogenesis. As solid tumors cannot grow efficiently without new blood supply, use of IMC-1C11 results in the inhibition of tumor growth and death of tumor cells by apoptosis.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06103","Name":"VX-148","DrugType":"small molecule","HalfLife":"","Description":"VX-148 is a second-generation, orally administered inhibitor of inosine monophosphate dehydrogenase (IMPDH). The IMPDH enzyme plays a key role in regulating immune response and proliferation of specific cell types, including lymphocytes. VX-148 is a developed for the treatment of autoimmune diseases.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in autoimmune diseases, psoriasis and psoriatic disorders, and viral infection.","Toxicity":"","MechanismOfAction":"VX-148 is a potent inhibitor of inosine monophosphate dehydrogenase (IMPDH), a cellular enzyme that is essential for production of guanine nucleotides, one of the building blocks of RNA and DNA.\r\nBlocking IMPDH may be an effective strategy for blocking the\r\nproliferation (growth) of certain cell types, such as lymphocytes, and the replication of viruses, since both lymphocytes and viruses depend on nucleotide synthesis for replication.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06127","Name":"KRP-104","DrugType":"small molecule","HalfLife":"","Description":"KRP-104 is a compound for the treatment of type 2 diabetes. It is an orally active, dipeptidyl peptidase-IV (DPPIV) inhibitor which lowers blood glucose levels by blocking the degradation of the hormone GLP-1 thereby stimulating glucose-dependent insulin secretion and lowering blood glucose levels without hypoglycemic effects.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in diabetes mellitus type 2.","Toxicity":"","MechanismOfAction":"KRP-104 is an orally active, dipeptidyl peptidase-IV (DPPIV) inhibitor which lowers blood glucose levels by blocking the degradation of the hormone GLP-1 thereby stimulating glucose-dependent insulin secretion and lowering blood glucose levels without hypoglycemic effects.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06129","Name":"SVV-001","DrugType":"small molecule","HalfLife":"","Description":"SVV-001 is investigated for use/treatment in cancer/tumors and lung cancer. SVV-001 is a solid. SVV-001 (Seneca Valley Virus) is a novel native picornavirus being developed as a systemically deliverable oncolytic virus for treatment of human cancers with neuroendocrine features. SVV-001 has also demonstrated cancer-killing specificity 10,000 times higher than that of traditional chemotherapeutics with no overt toxicity at doses one million times higher than effective doses in mice.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in cancer/tumors (unspecified) and lung cancer.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"SVV-001 has oncolytic activity against adult tumors with neuroendocrine features but is not harmful to normal human cells. It has potent cytolytic activity and high selectivity for tumor cell lines having neuroendocrine properties versus adult normal cells. Systemically administered SVV-001 has potential for the treatment of metastatic neuroendocrine cancers.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06130","Name":"FAV-201","DrugType":"biotech","HalfLife":"","Description":"FAV-201 is a patient-specific immunotherapy for the treatment of T-cell lymphoma.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in lymphoma (non-hodgkin's).","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"FAV-201 is a recombinant, patient-specific, T-cell receptor-based immunotherapy designed to induce an active immune response against the unique protein found on the surface of T-cells that constitute a patient's lymphoma.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06144","Name":"Sertindole","DrugType":"small molecule","HalfLife":"3 days","Description":"Sertindole, a neuroleptic, is one of the newer antipsychotic medications available. Serdolect is developed by the Danish pharmaceutical company H. Lundbeck. Like the other atypical antipsychotics, it has activity at dopamine and serotonin receptors in the brain. It is used in the treatment of schizophrenia. It is classified chemically as a phenylindole derivative. It was first marketed in 1996 in several European countries before being withdrawn two years later because of numerous cardiac adverse effects. It has once again been approved and should soon be available on the French and Australian market.","Classification":{"Description":"This compound belongs to the phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.","DirectParent":"Phenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"Used in the treatment of schizophrenia.","Toxicity":"","MechanismOfAction":"Sertindole is an antipsychotic drug with affinity for dopamine D2, serotonin 5-HT2A and 5-HT2C, and alpha1-adrenoreceptors. Preclinical studies suggest that sertindole acts preferentially on limbic and cortical dopaminergic neurons and clinical trials have confirmed that sertindole is effective at a low dopamine D2 occupancy level. ","Pharmacodynamics":"Sertindole is an atypical antipsychotic at least as effective as haloperidol and risperidone in the treatment of neuroleptic-responsive schizophrenia. Sertindole improves negative symptoms, and is also effective for the treatment of neuroleptic-resistant schizophrenia. Sertindole is generally well tolerated and is associated with a low rate of extrapyramidal symptoms (EPS).","Absorption":"Orally available.","Interactions":[{"ID":"DB00933"},{"ID":"DB00679"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB06147","Name":"Sulfathiazole","DrugType":"small molecule","HalfLife":"","Description":"Sulfathiazole is a short-acting sulfa drug. It used to be a common oral and topical antimicrobial until less toxic alternatives were discovered. It is still occasionally used, sometimes in combination with sulfabenzamide and sulfacetamide.","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Sulfathiazole is effective against a wide range of gram positive and gram negative pathogenic microorganisms. Although no longer used in humans, it is used in cattle.","Toxicity":"Acute oral toxicity (LD50): 4500 mg/kg [Mouse].","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB06146"},{"ID":"DB00563"}],"Salts":[{"ID":"DBSALT000848","Name":"Sulfathiazole sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06148","Name":"Mianserin","DrugType":"small molecule","HalfLife":"10-17 hours","Description":"A tetracyclic compound with antidepressant effects. Mianserin was previously available internationally, however in most markets it has been phased out in favor of Mirtazapine.","Classification":{"Description":"This compound belongs to the dibenzazepines. These are compounds with two benzene rings connected by an azepine ring.","DirectParent":"Dibenzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":"Dibenzazepines"},"Indication":"For the treatment of depression.","Toxicity":"Oral rat LD\u003csub\u003e50\u003c/sub\u003e: 780mg/kg","MechanismOfAction":"Mianserin's mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors.","Pharmacodynamics":"Mianserin is a tetracyclic antidepressant that has antihistaminic and hypnosedative, but almost no anticholinergic, effect. It is a weak inhibitor of norepinephrine reuptake and strongly stimulates the release of norepinephrine. Interactions with serotonin receptors in the central nervous system have also been found. Its effect is usually noticeable after one to three weeks. Mianserin may cause drowsiness and hematological problems.","Absorption":"Absorbed following oral administration.","Interactions":null,"Salts":[{"ID":"DBSALT000957","Name":"Mianserin hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06149","Name":"Teicoplanin","DrugType":"biotech","HalfLife":"70-100 hours","Description":"Teicoplanin is a glycopeptide antibiotic. It is a mixture of several compounds, five major (named teicoplanin A2-1 through A2-5) and four minor (named teicoplanin RS-1 through RS-4). All teicoplanins share a same glycopeptide core, termed teicoplanin A3-1, a fused ring structure to which two carbohydrates (mannose and N-acetylglucosamine) are attached. The major and minor components also contain a third carbohydrate moiety, β-D-glucosamine, and differ only by the length and conformation of a side chain attached to it. [Wikipedia]","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of bacterial infections caused by susceptible microorganisms.","Toxicity":"","MechanismOfAction":"Teicoplanin inhibits peptidoglycan polymerization, resulting in inhibition of bacterial cell wall synthesis and cell death.","Pharmacodynamics":"Teicoplanin is an antibiotic used in the prophylaxis and treatment of serious infections caused by Gram-positive bacteria, including methicillin-resistant \u003ci\u003eStaphylococcus aureus\u003c/i\u003e and \u003ci\u003eEnterococcus faecalis\u003c/i\u003e. It is a glycopeptide antiobiotic extracted from \u003ci\u003eActinoplanes teichomyceticus\u003c/i\u003e, with a similar spectrum of activity to vancomycin. Its mechanism of action is to inhibit bacterial cell wall synthesis. Oral teicoplanin has been demonstrated to be effective in the treatment of pseudomembranous colitis and Clostridium difficile-associated diarrhoea, with comparable efficacy to vancomycin.","Absorption":"Teicoplanin is poorly absorbed after oral administration but is 90% bioavailable when administered intramuscularly.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06150","Name":"Sulfadimethoxine","DrugType":"small molecule","HalfLife":"","Description":"Sulfadimethoxine is a sulfonamide antibiotic. Sulfadimethoxine is used to treat many infections including treatment of respiratory, urinary tract, enteric, and soft tissue infections. It is most frequently used in veterinary medicine, although it is approved in some countries for use in humans. Sulfadimethoxine inhibits bacterial synthesis of folic acid (pteroylglutamic acid) from para-aminobenzoic acid. Sulfadimethoxine is approved in Russia for use in humans, including children, and has been successfully used there for more than 35 years. It is widely available in Russia as an over-the-counter drug manufactured by a number of Russian pharmaceutical companies.","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For use in the treatment of infections.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Sulfadimethoxine has been shown to be effective against streptococci, klebsiella, proteus, shigella, staphylococci, escherichia, and salmonella.","Absorption":"","Interactions":[{"ID":"DB00563"}],"Salts":[{"ID":"DBSALT000956","Name":"Sulfadimethoxine sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06151","Name":"Acetylcysteine","DrugType":"small molecule","HalfLife":"5.6 hours (adults), 11 hours (neonates)","Description":"Acetylcysteine (also known as N-acetylcysteine or N-acetyl-L-cysteine or NAC) is primarily used as a mucolytic agent and in the management of acetaminophen poisoning. It is a derivative of cysteine with an acetyl group attached to the amino group of cysteine. NAC is essentially a prodrug that is converted to cysteine (in the intestine by the enzyme aminoacylase 1) and absorbed in the intestine into the blood stream. Cysteine is a key constituent to glutathione and hence administration of acetylcysteine replenishes glutathione stores. Acetylcysteine can also be used as a general antioxidant which can help mitigate symptoms for a variety of diseases exacerbated by reactive oxygen species (ROS). For instance, acetylcysteine is commonly used in individuals with renal impairment to prevent the precipitation of acute renal failure. Acetylcysteine has been shown to have efficacy in treating mild to moderate traumatic brain injury including ischemic brain injury, particularly in reducing neuronal losses, and also reducing cognitive and neurological symptoms when administered promptly after injury. N-acetylcysteine is now widely used in the treatment of HIV, and it has reported efficacy in chronic obstructive pulmonary disease and contrast-induced nephropathy. Acetylcysteine is also being successfully used to treat a variety of neuropsychiatric and neurodegenerative disorders including cocaine, cannabis, and smoking addictions, Alzheimer's and Parkinson's diseases, autism, compulsive and grooming disorders, schizophrenia, depression, and bipolar disorder. Recent data also shows that N-acetylcysteine inhibits muscle fatigue and can be used to enhance performance in endurance events and in exercise and endurance training.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Acetylcysteine is used mainly as a mucolytic and in the management of paracetamol (acetaminophen) overdose.","Toxicity":"Single intravenous doses of acetylcysteine at 1000 mg/kg in mice, 2445 mg/kg in rats, 1500 mg/kg in guinea pigs, 1200 mg/kg in rabbits and 500 mg/kg in dogs were lethal. Symptoms of acute toxicity were ataxia, hypoactivity, labored respiration, cyanosis, loss of righting reflex and convulsions. \r\n\r\n","MechanismOfAction":"Acetylcysteine protects against acetaminophen overdose-induced hepatotoxicity by maintaining or restoring hepatic concentrations of glutathione. It does this by producing the glutathione precursor L-cysteine. Glutathione is required to inactivate an intermediate metabolite (N-acetyl-p-benzoquinoneimine or NAPQI) of acetaminophen that is thought to be hepatotoxic. In acetaminophen overdose cases, excessive quantities of this metabolite are formed because the primary metabolic (glucuronide and sulfate conjugation) pathways become saturated. Acetylcysteine may act by reducing the metabolite to the parent compound and/or by providing sulfhydryl for conjugation of the metabolite. Experimental evidence also suggests that a sulfhydryl-containing compound such as acetylcysteine may also directly inactivate the metabolite. The mechanisms of action for acetylcysteine’s well-known mucolytic effects are different. In particular, when inhaled, acetylcysteine (and its metabolic byproduct cysteine) exerts its mucolytic action through its free sulfhydryl group, which reduces the disulfide bonds in the mucus matrix and lowers mucus viscosity. This action increases with increasing pH and is most significant at pH 7 to 9. The mucolytic action of acetylcysteine is not affected by the presence of DNA. Acetylcysteine is also an antioxidant and reduces oxidative stress. Acetylcysteine serves as a prodrug to L-cysteine which is a precursor to the biologic antioxidant, glutathione and hence administration of acetylcysteine replenishes glutathione stores. L-cysteine also serves as a precursor to cystine which in turn serves as a substrate for the cystine-glutamate antiporter on astrocytes hence increasing glutamate release into the extracellular space. This glutamate in turn acts on mGluR2/3 receptors, and at higher doses of acetylcysteine, mGluR5. Glutathione also modulates the NMDA receptor by acting at the redox site. These effects on glutamate and NMDA signaling appear to explain some of the positive neuropsychotropic effects associated with NAC. Acetylcysteine also possesses some anti-inflammatory effects possibly via inhibiting NF-κB through redox activation of the nuclear factor kappa kinases thereby modulating cytokine synthesis.","Pharmacodynamics":"Acetylcysteine has been shown to reduce the extent of liver injury following acetaminophen overdose. It is most effective when given early, with benefit seen principally in patients treated within 8-10 hours of the overdose. Acetylcysteine likely protects the liver by maintaining or restoring the glutathione levels, or by acting as an alternate substrate for conjugation with, and thus detoxification of, the reactive metabolite.\r\n\r\n","Absorption":"Bioavailability is 6–10% following oral administration and less than 3% following topical administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06155","Name":"Rimonabant","DrugType":"small molecule","HalfLife":"6 to 9 days with normal BMI and 16 days if BMI is greater than 30","Description":"Rimonabant is an anorectic anti-obesity drug produced and marketed by Sanofi-Aventis. It is an inverse agonist for the cannabinoid receptor CB1. Its main avenue of effect is reduction in appetite. Rimonabant is the first selective CB1 receptor blocker to be approved for use anywhere in the world. Rimonabant is approved in 38 countries including the E.U., Mexico, and Brazil. It was rejected for approval for use in the United States. This decision was made after a U.S. advisory panel recommended the medicine not be approved because it may increase suicidal thinking and depression.","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"For use in conjunction with diet and exercise for patients with a body mass index greater than 30 kg/m\u003csup\u003e2\u003c/sup\u003e, or patients wih a BMI greater than 27 kg/m\u003csup\u003e2\u003c/sup\u003e with associated risk factors, such as type 2 diabetes or dyslipidaemia.","Toxicity":"Almost twice as many people discontinued rimonabant compared with placebo because of adverse events (13.8% vs. 7.2%). These consistently involved psychiatric disorders (8.5% vs. 3.2%), including depression and anxiety. Other common side effects included insomnia, nausea, vomiting, diarrhoea and fatigue.\r\n\r\n","MechanismOfAction":"Rimonabant is a specific CB1 cannabinoid receptor antagonist. There is considerable evidence that the endocannabinoid (endogenous cannabinoid) system plays a significant role in appetitive drive and associated behaviours. It is therefore reasonable to hypothesize that the attenuation of the activity of this system would have therapeutic benefit in treating disorders that might have a component of excess appetitive drive or over-activity of the endocannabinoid system, such as obesity, ethanol and other drug abuse, and a variety of central nervous system and other disorders.","Pharmacodynamics":"In the RIO-North America trial, 3040 patients were randomized to receive either placebo or one of two doses of rimonabant (5 mg or 20 mg per day). Patients taking 20 mg rimonabant had significant weigh loss, decrease in waist circumference, improved insulin sensitivity, and increases in HDL cholesterol, compared to patients on placebo.","Absorption":"Undetermined","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06168","Name":"Canakinumab","DrugType":"biotech","HalfLife":"26 days","Description":"Canakinumab is a recombinant, human anti-human-IL-1β monoclonal antibody that belongs to the IgG1/κ isotype subclass. It is expressed in a murine Sp2/0-Ag14 cell line and comprised of two 447- (or 448-) residue heavy chains and two 214-residue light chains, with a molecular mass of 145157 Daltons when deglycosylated. Both heavy chains of canakinumab contain oligosaccharide chains linked to the protein backbone at asparagine 298 (Asn 298). Canakinumab binds to human IL-1β and neutralizes its inflammatory activity by blocking its interaction with IL-1 receptors, but it does not bind IL-1alpha or IL-1 receptor antagonist (IL-1ra). Canakinumab is marketed under the brand name Ilaris and indicated for patients 4 years of age and older to treat Familial Cold Autoinflammatory Syndrome (FCAS) and Muckle-Wells Syndrome (MWS), which are both part of the Cryopyrin-Associated Periodic Syndromes (CAPS) as well as for patients 2 years of age and older to treat systemic juvenile idiopathic arthritis (SJIA). Clinical trials have established the administration of canakinumab every 2 weeks to be safe and effective, offering a considerable advantage over the existing treatment with the human IL-1 receptor antagonist, anakinra, which must be injected daily and which is often poorly tolerated by patients.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used in patients 4 years of age and older to treat Familial Cold Autoinflammatory Syndrome (FCAS) and Muckle-Wells Syndrome (MWS), which are both part of the Cryopyrin-Associated Periodic Syndromes (CAPS) as well as for patients 2 years of age and older to treat systemic juvenile idiopathic arthritis (SJIA). ","Toxicity":"The most common adverse reactions involved the central nervous system (headache and vertigo), gastrointestinal system (diarrhea and nausea), neuromuscular and skeletal system (musculoskeletal pain), and respiratory system (rhinitis, nasopharyngitis and bronchitis). Influenza was also reported.\r\n\r\n\r\n","MechanismOfAction":"In inflammatory diseases involving Cryopyrin-Associated Periodic Syndromes (CAPS), interleukin-1 beta (IL-1β) is excessively activated and drives inflammation. The protein cryopyrin controls the activation of IL-1β, and mutations in cryopyrin's gene, NLRP-3, up-regulate IL-1β activation. Canakinumab is a human monoclonal anti-human IL-1β antibody of the IgG1/κ isotype. Canakinumab binds to human IL-1β and neutralizes its inflammatory activity by blocking its interaction with IL-1 receptors, but it does not bind IL-1α or IL-1 receptor antagonist (IL-1ra).\r\n\r\n","Pharmacodynamics":"Novartis AG has developed canakinumab as a subcutaneous injection and fully human mAb that neutralizes the bioactivity of human IL-1beta, which is involved in several inflammatory disorders. Canakinumab has promising clinical safety and pharmacokinetic properties, and demonstrated potential for the treatment of cryopyrin-associated periodic syndromes (CAPS), systemic juvenile idiopathic arthritis (SJIA), and possibly for other complex inflammatory diseases, such as rheumatoid arthritis, COPD disease and ocular diseases. ","Absorption":"The absolute bioavailability of subcutaneous canakinumab is estimated to be 70%.","Interactions":[{"ID":"DB00051"},{"ID":"DB00092"},{"ID":"DB00026"},{"ID":"DB00098"},{"ID":"DB00993"},{"ID":"DB00074"},{"ID":"DB00005"},{"ID":"DB06674"},{"ID":"DB00065"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB06372"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06186","Name":"Ipilimumab","DrugType":"biotech","HalfLife":"Terminal Elimination Half-life: 14.7 -15.4 days\r\n","Description":"Ipilimumab, a recombinant human monoclonal antibody (IgG1 kappa immunoglobin), is an antineoplastic agent developed by Bristol-Myers Squibb and Medarex for the treatment of unresectable or metastatic melanoma in adults. Ipilimumab received FDA approved on March 25, 2011. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Ipilimumab is indicated for the treatment of unresectable or metastatic melanoma in adults. ","Toxicity":"Therapy with Ipilimumab can result in severe and fatal immune reactions due to T-cell proliferation and activation. These reactions may occur in multiple organ systems, but common reactions include enterecolitis, dermatitis (including toxic necrolysis), neuropathy, and endocrinopathy. \r\n\r\nPatients should be assessed for signs and symptoms of enterocolitis (diarrhea, abdominal pain, mucus/blood in stool), bowel perforation (petitoneal signs and ileus), hepatitis, dermatitis (rash and pruritus), motor or sensory neuropathy (unilateral/bilateral weakness, sensory alterations, or paresthesia) , hypophysitis/adrenal insufficiency including adrenal crisis/hyper- or hypothyroidism (fatigue, mental status change, abdominal pain, unusual bowel habits, hypotension) and should have liver function tests and thyroid function tests performed at baseline and prior to each dose. \r\n\r\nTypically immune mediated adverse reactions manifest during therapy, however, a minority of reactions occurred after discontinuation of ipilimumab. \r\n\r\nIn one study of neuropathies, one case of fatal Guillain-Barré syndrome occurred, and once case of severe peripheral neuropathy (Grade 3) was reported. During clinical development of ipilimumab additional cases of Guillain-Barré and myasthenia gravis have been reported. In severe neuropathy, permanently discontinue ipilimumab, and initiate 1-2mg/kd/day of prednisone or equivalent. \r\n\r\nIn one study, severe or potentially fatal dermatitis (eg, Steven-Johnsons syndrome (SJS) or toxic epidermal necrolysis (TEN)) occured in 2.5% (n=13). The median time of onset of moderate to potentially fatal dermatitis was 3.1 weeks (up to 17.3 weeks). Treatment of 54% of severe dermatitis cases (n=7) involved high dose topical corticosteriods. 6 patients had complete resolution in up to 15.6 weeks. Permanently discontinue ipilimumab in patients with SJS or TEN, and withhold the dose in patients with moderate to severe signs and symptoms. Mild- moderate dermatitis (localized rash and pruritus) may be treated symptomatically. If no improvement is seen in 1 week administer topical or systemic corticosteroids. \r\n\r\nIn one study of endocrinopathies, severe to life threatening endocrinopathies occurred in 1.8% (n=9) of patients, with all 9 patients having hyopituitarism and some having adrenal insufficiency, hypogonadism, and hypothyroidism. Six of the 9 patients were hospitalized. Moderate endocrinopathies occurred in 2.3% of patients (n=12) and required hormone replacement or medical intervention. The median time of onset was 11 weeks. In symptomatic patients, withhold ipilimumab, and initiate 1-2mg/kd/day of prednisone or equivalent and appropriate hormone replacement therapy. \r\n\r\nIn one study of enterocolitis in 511 patients, diarrhea of ≥7 stools above baseline, fever, ileus and peritoneal signs (Grade 3-5, severe, potentially fatal enterocolitis) occured in 7% (n=34) of patients treated with ipilimumab. Diarrhea of up to 6 stools above baseline, abdominal pain, mucus or blood in stool (Grade 2, moderate enterocolitis) occurred in 5% of patients (n=28). Intestinal perforation occurred in 1% (n=5). Death as a result of complications occurred in 0.8% (n=4). Hospitalization for severe enterocolitis occurred in 5% (n=26). \r\nGrade 3-5 enterocolitis had a median time of onset of 7.4 weeks (with a range of 1.6-13.4 weeks). \r\nGrade 2 entercolitis had a median time of onset of 6.3 weeks (with a range of 0.3- 18.9 weeks). \r\nTreatment of 85% (n=29) of patients with Grade 3-5 enterocolitis (n=34) included high dose corticosteroids (≥40mg/day prednisone equivalent). Median dose used was 80mg/day of prednisone/equivalent for a median duration of 2.3 weeks (up to 13.9 weeks). Of the 34 patients, 74% experienced complete resolution, 3% progressed to Grade 2 severity, and 24% exhibited no improvement. \r\nIn treatment of 28 patients with a Grade 2 enterocolitis: 25% received high dose corticosteroids for a median of 10 days; 29% of patients received a non-high dose of corticosteroids (\u003c40mg/day of prednisone/equivalent) for a median duration of 5.1 weeks; 46% did not receive systemic corticosteroids. Of the 28 patients, 79% of patients experienced complete resolution, 11% improved in severity, 11% exhibited no improvement. \r\nIn patients with severe enterocolitis, permanently discontinue ipilimumab, and initiate 1-2 mg/kd/day of prednisone or an equivalent. Once patient improvement to Grade 1 or less is seen, taper the corticosteroid over at least one month. \r\nIn patients with moderate enterocolitis, hold dose of ipilimumab, and initiate 0.5 mg/kd/day of prednisone or an equivalent. \r\n\r\nIn another study examining immune mediated hepatitis, AST or ALT elevation of ≥3 times the upper limit of normal (ULN) (severe and potentially fatal hepatotoxicity) was seen in 2% (n=8) of patients on ipilimumab. Fatal hepatic failure occurred in 0.2%. Hospitalization occurred in 0.4%. Additionally, moderate hepatotoxicity (2.5xULN \u003eALT or AST\u003e 5xULN, or 1.5xULN\u003ebilirubin\u003e3xULN ) occurred in 2.5% (n=13). \r\nIn Grade 3-5 hepatotoxicity, permanently discontinue ipilimumab, and initiate 1-2mg/kd/day of prednisone or equivalent. Once LFT show sustained improvement taper corticosteroid over 1 month. In Grade 2 hepatotoxicity, withhold ipilimumab. \r\n\r\nIn pregnancy, use only if potential benefit justifies potential risk to fetus (Category C). In studies done in monkeys, severe toxicities were observed including abortion, stillbirth, low birth weight and infant mortality. Additionally, ipilimumab has the potential to cross the placental barrier, and it is unknown if secretion into breast milk occurs. \r\n\r\nNo studies have been performed to study carcinogenesis, mutagenesis, and impairment of fertility. ","MechanismOfAction":"Ipilimumab is a fully human IgG1κ antibody that binds to CTLA-4 (cytotoxic T lymphocyte-associated antigen 4), a molecule on T-cells that is indicated for unresectable or metastatic melanoma. The absence or presence of CTLA-4 can augment or suppress the immune system's T-cell response in fighting disease. Ipilimumab is designed to block the activity of CTLA-4, thereby sustaining an active immune response in its attack on cancer cells. The proposed mechanism of action is indirect, and may be through T-cell - mediated anti-tumor immune responses. ","Pharmacodynamics":"The pharmacodynamics of Ipilimumab are not completely understood. In melanoma patients receiving Ipilimumab, the mean peripheral blood absolute lymphocyte counts (ALC) increased throughout the induction dosing period. This increase occurred in a dose-dependent fashion in Phase 2 studies. \r\n\r\nIpilimumab given with or without gp100 at 3 mg/kg increased ALC throughout the induction dosing period, but no meaningful change in ALC occurred in the control group who received an investigational peptide vaccine alone. \r\n\r\nFurthermore, ipilimumab binds to CTLA-4 with high affinity (Kd = 5.24 ± 3.62 nM). As a result, ligands CD80 and CD86 are blocked from binding to CTLA-4 with a minimum EC50 value of 0.2 μg/mL. ","Absorption":"In one pharmacokinetic study of patients with unresectable or metastatic melanoma peak concentrations, trough concentrations, and area under the curve (AUC) were found to be dose proportional in the dosage range examined (0.3, 3, or 10mg/kg every 3 weeks for four doses). ","Interactions":[{"ID":"DB08881"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06193","Name":"Pixantrone","DrugType":"small molecule","HalfLife":"Half life is 12 hours. [2] ","Description":"Pixantrone is an aza-anthracenedione and DNA intercalator which inhibits topoisomerase II. It is similar in structure to anthracyclines such as mitoxantrone, but exerts fewer toxic effects on cardiac tissue. [2] The lower cardio-toxic effects of pixantrone may be explained, in part, by its redox inactivity [3]. Pixantrone does not bind iron and promotes the formation of reactive oxygen species to a lesser degree than other anthracyclines. It also inhibits doxorubicinol formation in human myocardium. [3] As a result, it is believed to be less cardiotoxic while still exerting efficacy. \r\n\r\nPixantrone was designed to treat relapsed or refractory aggressive non-Hodgkin's lymphoma(NHL) in patients who have failed two prior lines of therapy. [2] For patients suffering from NHL, first line therapies consist of anthracycline containing multi-drug treatments which unfortunately are known to cause irreversible myocardial tissue damage. Patients refractory to treatment, or those who relapse, are discouraged from further anthracycline use due to cumulative cardiotoxicity. Pixantrone dimaleate, administered intravenously, was designed by Cell Therapeutics Incorporated as an alternative second line therapy in refractory or relapsed NHL. It is currently being tested in Phase III trials. [2]\r\n\r\nAlthough pixantrone has not yet received FDA approval in the United States, it has been granted conditional marketing approval by the European Union. Conditional approval was granted by the European Medicines Agency after a phase III EXTEND trial of patients with NHL showed that pixantrone was tolerable and that it resulted in significantly higher complete response rate and progression free survival in comparison to other single chemotherapy agents. However, it is notable that the EXTEND trial was stopped early, leaving the statistical significance of the results in question. Based on this uncertainty, in 2009, the FDA ultimately rejected Cell Therapeutic's initial application for accelerated approval for pixantrone use in relapsed or refractory NHL. Another phase III trial, PIX-R, is now ongoing to clarify pixantrones place in therapy. It will compare pixantrone efficacy to that of gemcitabine. [2] ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Currently in Phase III investigation for treatment of relapsed or refractory aggressive non-Hodgkin's lymphoma in patients who have failed two prior lines of therapy. Presently, no standard therapy exists for patients with relapsed or refractory NHL. [2] After first line therapy has been initiated, most patients have received their lifetime limit of doxorubicin and further use of anthracyclines may potentially lead to anthracycline-induced congestive heart failure (CHF). Pixantrone is an attractive alternative as a second line agent, due to its lack of cardiac toxicity. [2] \r\n\r\nThe phase III trial, PIX-R, is ongoing and will compare pixantrone multidrug therapy with an equivalent regimen in patients with diffuse large B-cell lymphoma (the most common type of NHL).\r\n\r\nPrevious study results have also suggested the possibility that pixantrone may be safe and effective in doxorubicin naive patients. In myocardial strips which are doxorubicin naive, pixantrone is taken up to a higher degree than in myocardial strips which are doxorubicin exposed, and once absorbed exhibits redox inactivity. [3] \r\n\r\nPixantrone dimaleate has also been investigated as a treatment for acute myelogenous leukemia, diffuse large B-cell lymphoma, follicular lymphoma, metastatic breast cancer, low grade small lymphocytic lymphomas and general metastatic cancers. ","Toxicity":"Pixantrone appears well tolerated. The most common toxicity is neutropenia. Other toxicities include lymphopenia, thrombocytopenia, alopecia, nausea and vomiting. As pixantrone is a blue compound patients may experience a blue discoloration of the skin and urine. [2] ","MechanismOfAction":"Pixantrone is an aza-anthracenedione which acts as a DNA intercalator. By intercalating between DNA, with modest affinity, it stimulates DNA cleavage by topoisomerase II. (Pixantrone acts as a poison to topoisomerase II by stabilizing protein-DNA complexes which are usually transient, giving rise to double stranded DNA breaks.)\r\nHowever, pixantrone is believed to have additional mechanisms of action as its potency does not correlate to the degree of double stranded DNA breaks observed. It has been postulated that this second mechanism may be pixantrone-DNA adduct formation. [1] \r\n\r\nIt is important to note that the formation of a pixtantrone-DNA adduct requires pixantrone activation by formaldehyde. Formadehyde may be generated in vitro by hydrogen peroxide, and is derived by various sources in biological systems. It is present in low levels as a result of normal metabolism, and may be present in elevated levels in some haematolgical malignancies. [1] The formation of pixantrone-DNA adducts is thus feasible, and it is believed that a long pixantrone-DNA adduct half life has the potential to maximize DNA damage. It may do so by enhancing the disruption of DNA replication and transcription, and potentially by encourage apoptosis. [1]\r\n\r\nIn explanation of pixantrones lack of cardiotoxicity, it has been elucidated that pixantrone is structurally similar to mitoxantrone; however, instead of a 5,8-dihydroxyphenyl ring (thought to be responsible for cardiotoxicity) it has a nitrogen heteroatom. This nitrogen heteroatom helps to create additional hydrogen bonding sites amd increases pixantrone interaction with DNA and topoisomerase II. [2] \r\n\r\nPixantrone's lack of a hydroquinone is believed to render it resistant to one electron reduction. In contrast, doxorubicin - which contains a hydroquinone - experiences one electron redox cycling and ROS formation via NADH dehydrogenase. [3] Pixantrone also does not bind iron, and thus does not produce ROS by redox cycling between oxidative states of iron, as other anthracyclines do. [2]\r\n\r\nThe first line agent doxorubicin is cardiotoxic, in part, due to its ability to redox activate the superoxide anion and hydrogen peroxide, and form a long-lived secondary alcohol metabolite: doxorubicinol. [3] Clearance of doxorubicin from myocardial tissue is incomplete, and it can be found months or years after the last administration. [3] In doxorubicin treated ex vivo cardiac strips, pixantrone formed an N-dealkylated product that inhibited metabolism of residual doxorubicin into doxorubicinol. Additionally, in ex vivo human myocardial strips (doxorubicin naive, and doxorubicin pretreated) pixantrone showed high cardiac uptake without formation of superoxide anion or hydrogen peroxide. Pixantrones lack of cardiotoxicity is thus attributed to its redox inactivity and inhibition of doxorubicinol formation. [3] ","Pharmacodynamics":"Pixantrone has a wide range of antitumor activity, especially in terms of treating leukemias and lymphomas [3]. \r\n\r\nPixantrone lacks cardio-toxic effects. It has postulated that his is because of its redox inactivity and lack and inhibition of doxorubicinol formation in human myocardium. [3] ","Absorption":"Intravenous administration results in a rapid distribution followed by a slow elimination. [2] In ex vivo myocardial strips, pixantrone is taken up to a higher degree than mitoxantrone. In myocardial strips which are doxorubicin naive pixantrone displays higher uptake than in DOX-loaded myocardial strips. DOX clearance causes membrane effects which may be responsible for this observation. DOX clearance involves rapid passive diffusion through one side of the membrane followed by \"flip flop\" reorientation of the lipid bilayer. This disorganization of lipids is believed to impair membrane penetration by pixantrone. [3] ","Interactions":null,"Salts":[{"ID":"DBSALT000141","Name":"Pixantrone dimaleate"}],"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06196","Name":"Icatibant","DrugType":"small molecule","HalfLife":"After subcutaneous administration, mean elimination half-life was 1.4 ± 0.4 hours. ","Description":"Icatibant (Firazyr) is a synthetic peptidomimetic drug consisting of ten amino acids, and acts as an effective and specific antagonist of bradykinin B2 receptors. It has been approved in the EU for use in hereditary angioedema, and is under investigation for a number of other conditions in which bradykinin is thought to play a significant role. Icatibant currently has orphan drug status in the United States and FDA approved on August 25, 2011. ","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Approved for use in acute attacks of hereditary angioedema (HAE). Investigated for use/treatment in angioedema, liver disease, and burns and burn infections.","Toxicity":"","MechanismOfAction":"Bradykinin is a peptide-based hormone that is formed locally in tissues, very often in response to a trauma. It increases vessel permeability, dilates blood vessels and causes smooth muscle cells to contract. Bradykinin plays an important role in the mediation of pain. Surplus bradykinin is responsible for the typical symptoms of inflammation, such as swelling, redness, overheating and pain. These symptoms are mediated by activation of bradykinin B2 receptors. In patients with HAE, they have an absent or dysfunctional C1-esterase inhibitor. This inhibitor is responsible for the production of bradykinin in which displacement of bradykinin from B2 receptors by icatibant has an inhibitory effect on the receptor for a relatively long time.","Pharmacodynamics":"Icatibant is a potent, specific, competitive, and selective peptidomimetic bradykinin beta2-receptor antagonist (pA2 = 9.04). It has a modified peptide structure, and is the first bradykinin receptor antagonist to act on the guinea-pig trachea without demonstrating agonist effects. It also inhibits aminopeptidase N (Ki = 9.1 μM). If an IV dose of 0.4 and 0.8 mg/kg was infused over 4 hours, one may observe an inhibited response to bradykinin challenge for 6 - 8 hours following completion of infusion. ","Absorption":"The absolute bioavailability of icatibant following a 30 mg subcutaneous dose is approximately 97%. Maximum plasma concentrations (Cmax) of 974 ± 280 ng/mL was reached when a single subcutaneous dose of 30 mg was administered. The AUC was 2165 ± 568 ng∙hr/mL. Icatibant did not accumulate following multiple doses. ","Interactions":[{"ID":"DB00542"},{"ID":"DB01197"},{"ID":"DB00584"},{"ID":"DB00492"},{"ID":"DB00691"},{"ID":"DB00790"},{"ID":"DB00881"},{"ID":"DB00178"},{"ID":"DB00519"}],"Salts":[{"ID":"DBSALT000097","Name":"Icatibant Acetate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06201","Name":"Rufinamide","DrugType":"small molecule","HalfLife":"Elimination half-life, healthy subjects and patients with epilepsy = 6-10 hours. ","Description":"Rufinamide is a triazole derivative and an anticonvulsant medication to treat seizure disorders like Lennox-Gastuat syndrome, a form of childhood epilepsy. Clinical trials suggest its efficacy in the treatment of partial seizures. ","Classification":{"Description":"This compound belongs to the triazole carboxylic acids and derivatives. These are heterocyclic compounds containing a triazole ring substituted by at least one carboxylic acid group (or a derivative thereof).","DirectParent":"Triazole Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"Adjunct therapy for treatment of seizures associated with Lennox-Gastaut syndrome. ","Toxicity":"The most commonly observed adverse reactions (≥10% and greater than placebo) were headache, dizziness, fatigue, somnolence, and nausea. ","MechanismOfAction":"Rufinamide is a triazole derivative antiepileptic that prolongs the inactive state of voltage gated sodium channels thus stabilizing membranes, ultimately blocking the spread of partial seizure activity.","Pharmacodynamics":"At high concentrations will inhibit action of mGluR5 subtype receptors thus preventing the production of glutamate. ","Absorption":"The oral suspension and tablet are bioequivalent on a mg per mg basis. Rufinamide is well absorbed but the rate is slow and the extent of absorption decreases as dose is increases. Based on urinary excretion, the extent of absorption was at least 85% following oral administration of a single dose of 600 mg rufinamide tablet under fed conditions.\r\nBioavailability= 70%-85% (decreases with increasing doses); \r\nTmax, fed and fasted states= 4-6 hours; \r\nCmax, 10 mg/kg/day= 4.01 µL/mL; \r\nCmax, 30mg/kg/day= 8.68 µL/mL;\r\nAUC (0h-12h), 10mg/kg/day= 37.8±47 µg·h/mL; \r\nAUC (0h-12h), 30mg/kg/day= 89.3±59 µg·h/mL. ","Interactions":[{"ID":"DB00564"},{"ID":"DB00977"},{"ID":"DB00717"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00313"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06203","Name":"Alogliptin","DrugType":"small molecule","HalfLife":"Terminal half-life = 21 hours ","Description":"Alogliptin is a selective, orally-bioavailable inhibitor of enzymatic activity of dipeptidyl peptidase-4 (DPP-4). Chemically, alogliptin is prepared as a benzoate salt and exists predominantly as the R-enantiomer (\u003e99%). It undergoes little or no chiral conversion in vivo to the (S)-enantiomer. FDA approved January 25, 2013. ","Classification":{"Description":"This compound belongs to the benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.","DirectParent":"Benzonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzonitriles"},"Indication":"Indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. ","Toxicity":"Common adverse reactions (reported in ≥4% of patients treated with alogliptin 25 mg and more frequently than in patients who received placebo) are: nasopharyngitis, headache, and upper respiratory tract infection. ","MechanismOfAction":"Alogliptin inhibits dipeptidyl peptidase 4 (DPP-4), which normally degrades the incretins glucose-dependent insulinotropic polypeptide (GIP) and glucagon like peptide 1 ( GLP-1). The inhibition of DPP-4 increases the amount of active plasma incretins which helps with glycemic control. GIP and GLP-1 stimulate glucose dependent secretion of insulin in pancreatic beta cells. GLP-1 has the additional effects of suppressing glucose dependent glucagon secretion, inducing satiety, reducing food intake, and reducing gastric emptying.","Pharmacodynamics":"Peak inhibition of DPP-4 occurs within 2-3 hours after a single-dose administration to healthy subjects. The peak inhibition of DPP-4 exceeded 93% across doses of 12.5 mg to 800 mg. Inhibition of DPP-4 remained above 80% at 24 hours for doses greater than or equal to 25 mg. Alogliptin also demonstrated decreases in postprandial glucagon while increasing postprandial active GLP-1 levels compared to placebo over an 8-hour period following a standardized meal. Alogliptin does not affect the QTc interval. ","Absorption":"The pharmacokinetics of NESINA was also shown to be similar in healthy subjects and in patients with type 2 diabetes. When single, oral doses up to 800 mg in healthy subjects and type 2 diabetes patients are given, the peak plasma alogliptin concentration (median Tmax) occurred 1 to 2 hours after dosing. Accumulation of aloglipin is minimal. The absolute bioavailability of NESINA is approximately 100%. Food does not affect the absorption of alogliptin. \r\n","Interactions":null,"Salts":[{"ID":"DBSALT000007","Name":"Alogliptin Benzoate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06204","Name":"Tapentadol","DrugType":"small molecule","HalfLife":"Elimination half-life, IV: 4 hours. ","Description":"Opioid analgesic for treatment of moderate to severe pain. FDA approved on Nov 20, 2008. ","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"The immediate-release formulation of tapentadol is indicated for the relief of moderate to severe acute pain. The long-acting formulation serves as a continuous, around-the-clock analgesic that is indicated for the relief of moderate to severe chronic pain or neuropathic pain associated with diabetic peripheral neuropathy. ","Toxicity":"Oral, rabbit: LD50 = 3200 mg/kg;\r\nOral, mouse: LD50 = 300 mg/kg;\r\nOral, rat: LD50: 980 mg/kg;\r\nThe most common reasons for discontinuation due to adverse events were dizziness, nausea, vomiting, somnolence, and headache. ","MechanismOfAction":"Tapendadol causes large increases in levels of extracellular norepinephrine (NE) due to a dual mechanism of action involving mu opioid receptor (MOR) agonism as well as noradrenaline reuptake inhibition.\r\n\r\n","Pharmacodynamics":"Tapentadol is a centrally-acting synthetic analgesic. It is 18 times less potent than morphine in terms of binding to human mu-opioid receptors. It also increases norepinephrine concentrations in the brains of rats via inhibition of norepinephrine reuptake. Selective mu-opioid antagonists like naloxone can block analgesia from tapentadol. It also has not effect on the QT interval. ","Absorption":"Bioavailability, immediate release (IR), 86 mg: 32%; \r\nBioavailability, extended release (ER), 86 mg: 32%; \r\nCmax, IR: 64.2 ng/mL;\r\nCmax, ER: 22.5 ng/mL; \r\nT max, IR: 1.5 hours;\r\nT max, ER: 5.0 hours;\r\nTapentadol accumulates following multiple repeat doses. \r\n\r\n","Interactions":[{"ID":"DB06274"},{"ID":"DB06700"},{"ID":"DB00788"},{"ID":"DB01032"},{"ID":"DB01367"},{"ID":"DB01037"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000169","Name":"Tapentadol Hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06207","Name":"Silodosin","DrugType":"small molecule","HalfLife":"Silodosin = 13.3 ± 8.07 hours;\r\nKMD-3213G = 24 hours; ","Description":"Silodosin is an α1-adrenoceptor antagonist that is selective for the prostate. Silodosin is for symptomatic treatment of benign prostatic hyperplasia. FDA approved Oct 9, 2008.","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"Treatment for symptomatic relief of benign prostatic hyperplasia ","Toxicity":"Most common adverse reactions (incidence \u003e 2%) are retrograde ejaculation, dizziness, diarrhea, orthostatic hypotension, headache, nasopharyngitis, and nasal congestion.","MechanismOfAction":"Benign prostate hyperplasia (BPH), or an enlarged prostate, is a condition found only in men and is characterized by a non-cancerous enlargement of the prostate gland. Symptoms of BPH include urinary difficulty, urinary frequency and an inability to complete bladder emptying. Silodosin is highly uroselective for the alpha (1A) receptors located in the prostate, [urethrea and bladder trigone in the lower urinary tract]. Blocking these receptors relaxes the smooth muscles, resulting in an improvement in urine flow and a reduction in BPH symptoms. The selective binding of silodosin to the alpha (1A) receptors is substantially greater than the binding to the cardiovascular-associated alpha (1B) receptors and thereby maximizes target organ activity while minimizing the potential for blood pressure effects. [Watson Pharmaceutical Inc. Press release] Silodosin is alpha 1A-adrenoceptor selective antagonist which inhibits sympathetic nerve stimulation and relaxation of smooth muscle tone in the lower urinary tract which relieves the pressure from contraction of smooth muscle. The reduction of intraurethral pressure improves voiding and storage issues associated with BPH. \r\n\r\n\r\n\r\n","Pharmacodynamics":"Silodosin is 583 times more selective for human alpha-1A receptors than alpha-1B receptors. It is also 56 times more selective for human alpha-1A receptors than alpha-1D. Silodosin does not prolong the QT interval. ","Absorption":"Quickly absorbed and has a bioavailability of 32% at 8mg/day (therapeutic dose).\r\nWhen 8 mg of silodosin is taken once daily with food, the pharmacokinetic parameters are as follows: \r\nCmax = 61.6 ± 27.54 ng/mL;\r\nTmax = 2.6 ± 0.90 hours; \r\nAUC (0h-24h) = 373 ng•hr/ml. \r\nThe AUC of its metabolite, KMD3213G, is four times greater than silodosin. ","Interactions":[{"ID":"DB00446"},{"ID":"DB00872"},{"ID":"DB00343"},{"ID":"DB00199"},{"ID":"DB00196"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01032"},{"ID":"DB00503"},{"ID":"DB00864"},{"ID":"DB00706"},{"ID":"DB01162"},{"ID":"DB00313"},{"ID":"DB00862"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06209","Name":"Prasugrel","DrugType":"small molecule","HalfLife":"The active metabolite has an elimination half-life of about 7.4 hours (range 2-15 hours). ","Description":"Prasugrel, a thienopyridine derivative, is a platelet activation and aggregation inhibitor structurally and pharmacologically related to clopidogrel and ticlopidine. Similar to clopidogrel, prasugrel is a prodrug that requires enzymatic transformation in the liver to its active metabolite, R-138727. R-138727 irreversibly binds to P2Y12 type ADP receptors on platelets thus preventing activation of the GPIIb/IIIa receptor complex. As a result, inhibition of ADP-mediated platelet activation and aggregation occurs. Prasugrel was developed by Daiichi Sankyo Co. and is currently marketed in the United States and Canada in cooperation with Eli Lilly and Company for acute coronary syndromes planned for percutaneous coronary intervention (PCI). FDA approved in 2009. ","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Indicated in combination with acetylsalicylic acid (ASA) to prevent atherothrombotic events in patients with acute coronary syndrome (ACS) who are to be managed with percutaneous coronary intervention (PCI). May be used in patients with unstable angina (UA), non-ST elevation myocardial infarction (NSTEMI), ST-elevation myocardial infarction (STEMI) who are to be managed with PCI. Prasugrel is not recommended in patients 75 years of age or greater, those that weigh\u003c60kg, and patients with a history of stroke or transient ischemic attack due to increased risk of fatal and intracranial bleeding. ","Toxicity":"LD50 (rat) 1,000 - 2,000 mg/kg; LD50 (rabbit) \u003e 1,000 mg/kg","MechanismOfAction":"Prasugrel is an thienopyridine and a prodrug which inhibits ADP receptors by irreversibly acting on the P2Y12 receptor on platelets. The active metabolite of prasugrel prevents binding of adenosine diphosphate (ADP) to its platelet receptor, impairing the ADP-mediated activation of the glycoprotein GPIIb/IIIa complex. Prasugrel is proposed to have a similar mechanism of action to clopidogrel.","Pharmacodynamics":"Prasugrel is a member of the thienopyridine class of ADP receptor inhibitors, like ticlopidine (trade name Ticlid) and clopidogrel (trade name Plavix). These agents reduce the aggregation (\"clumping\") of platelets by irreversibly binding to P2Y12 receptors. Compared to clopidogrel, prasugrel inhibits adenosine diphosphate–induced platelet aggregation more rapidly, more consistently, and to a greater extent than do standard and higher doses of clopidogrel in healthy volunteers and in patients with coronary artery disease, including those undergoing PCI. The increased potency of prasugrel appears to be due to more efficient conversion to its active metabolite. However, it carries a higher risk of bleed compared to clopidogrel, which may be a result of its higher potency. Prasugrel produces inhibition of platelet aggregation to 20 μM or 5 μM ADP, as measured by light transmission aggregometry. ","Absorption":"79% or greater of the dose is absorbed after oral administration. Absorption and metabolism occur rapidly and peak plasma concentrations (C\u003csub\u003emax\u003c/sub\u003e) are reached approximately 30 minutes following oral administration. Administration with a high fat, high calorie meal did not affect the AUC of the active metabolite in healthy individuals, but the C\u003csub\u003emax\u003c/sub\u003e was decreased by ~49% and the T\u003csub\u003emax\u003c/sub\u003e was increased to 0.5 to 1.5 hours. Prasugrel may be administered with or without food. ","Interactions":[{"ID":"DB01381"},{"ID":"DB01050"},{"ID":"DB01026"},{"ID":"DB00448"},{"ID":"DB00503"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000145","Name":"Prasugrel Hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06210","Name":"Eltrombopag","DrugType":"small molecule","HalfLife":"About 21-32 hours in healthy patients.\r\nAbout 26-35 hours in patients with idiopathic thrombocytopenic purpura.","Description":"Eltrombopag is used to treat low blood platelet counts in adults with chronic immune (idiopathic) thrombocytopenia (ITP), when certain other medicines, or surgery to remove the spleen, have not worked well enough. ITP is a condition that may cause unusual bruising or bleeding due to an abnormally low number of platelets in the blood. Eltrombopag has also been recently approved (late 2012) for the treatment of thrombocytopenia (low blood platelet counts) in patients with chronic hepatitis C to allow them to initiate and maintain interferon-based therapy.","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"Thrombopoietin receptor agonists are pharmaceutical agents that stimulate platelet production in the bone marrow. In this, they differ from the previously discussed agents that act by attempting to curtail platelet destruction. ","Toxicity":"Eltrombopag may cause hepatotoxicity, especially if administered in combination with interferon and ribavirin in patients with chronic hepatitis C (may increase the risk of hepatic decompensation).","MechanismOfAction":"Eltrombopag is an orally bioavailable, small-molecule TPO-receptor agonist that interacts with the transmembrane domain of the human TPO-receptor. Eltrombopag is a stimulator of STAT and JAK phosphorylation. Unlike recombinant TPO or romiplostim, Eltrombopag does not activate the AKT pathway in any way. It should be noted that when given to patients with aplastic anemia, other lineages besides platelet count were increased, suggesting that either eltrombopag enhanced the effect of TPO in vivo; or there is a yet uncovered mechanism of action at work. ","Pharmacodynamics":"","Absorption":"Peak absorption of Eltrombopag occurs around 2-6 hours following oral administration, and the total oral absorption of drug-related material following a 75 mg dose was estimated to be at least 52%. ","Interactions":[{"ID":"DB00316"},{"ID":"DB00945"},{"ID":"DB06723"},{"ID":"DB01118"},{"ID":"DB01351"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB00963"},{"ID":"DB00237"},{"ID":"DB00241"},{"ID":"DB00258"},{"ID":"DB06724"},{"ID":"DB01164"},{"ID":"DB00564"},{"ID":"DB00482"},{"ID":"DB00501"},{"ID":"DB00537"},{"ID":"DB04272"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB00343"},{"ID":"DB00625"},{"ID":"DB00467"},{"ID":"DB00199"},{"ID":"DB00977"},{"ID":"DB00749"},{"ID":"DB00573"},{"ID":"DB00813"},{"ID":"DB00712"},{"ID":"DB01095"},{"ID":"DB00176"},{"ID":"DB00176"},{"ID":"DB00365"},{"ID":"DB00956"},{"ID":"DB00327"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00893"},{"ID":"DB06790"},{"ID":"DB00951"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB01097"},{"ID":"DB00854"},{"ID":"DB00653"},{"ID":"DB00939"},{"ID":"DB00784"},{"ID":"DB00814"},{"ID":"DB00333"},{"ID":"DB00563"},{"ID":"DB00379"},{"ID":"DB01110"},{"ID":"DB00295"},{"ID":"DB00454"},{"ID":"DB00971"},{"ID":"DB01390"},{"ID":"DB00755"},{"ID":"DB00313"},{"ID":"DB00177"},{"ID":"DB00744"}],"Salts":[{"ID":"DBSALT000063","Name":"Eltrombopag Olamine"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06212","Name":"Tolvaptan","DrugType":"small molecule","HalfLife":"Terminal half life, oral dose = 12 hours. ","Description":"Tolvaptan is used to treat low blood sodium levels (hyponatremia) associated with various conditions like congestive heart failure, cirrhosis, and syndrome of inappropriate antidiuretic hormones (SIADH). FDA approved on May 19, 2009. ","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Treatment of symptomatic and resistant to fluid restriction euvolemic or hypervolemic hyponatremia associated with congestive heart failure, SIADH, and cirrhosis. ","Toxicity":"The oral LD50 of tolvaptan in rats and dogs is \u003e2000 mg/kg. Most common adverse reactions (≥5% placebo) are thirst, dry mouth, asthenia, constipation, pollakiuria or polyuria, and hyperglycemia. ","MechanismOfAction":"Tolvaptan is a selective and competitive arginine vasopressin receptor 2 antagonist. Vasopressin acts on the V2 receptors found in the walls of the vasculature and luminal membranes of renal collecting ducts. By blocking V2 receptors in the renal collecting ducts, aquaporins do not insert themselves into the walls thus preventing water absorption. This action ultimately results in an increase in urine volume, decrease urine osmolality, and increase electrolyte-free water clearance to reduce intravascular volume and an increase serum sodium levels. Tolvaptan is especially useful for heart failure patients as they have higher serum levels of vasopressin. ","Pharmacodynamics":"Urine volume and fluid intake increase in a dose dependent manner which results in overall negative fluid balance in patients taking tolvaptan. Increases in serum sodium and osmolality can be observed 4-8 hours post-administration and is maintained for 24 hours. The magnitude of serum sodium and osmolality change increases with escalating doses. Furthermore, a decrease in urine osmolality and increase in free water clearance can be observed 4 hours after post-administration of tolvaptan. The affinity for V2 receptors is 29x greater than that of V1a receptors and does not have any appreciable affinity for V2 receptors. ","Absorption":"Tmax, Healthy subjects: 2 - 4 hours;\r\nCmax, Healthy subjects, 30 mg: 374 ng/mL;\r\nCmax, Healthy subjects, 90 mg: 418 ng/mL;\r\nCmax, heart failure patients, 30 mg: 460 ng/mL;\r\nCmax, heart failure patients, 90 mg: 723 ng/mL;\r\nAUC(0-24 hours), 60 mg: 3.71 μg·h/mL;\r\nAUC(∞), 60 mg: 4.55 μg·h/mL;\r\nThe pharmacokinetic properties of tolvaptan are stereospecific, with a steady-state ratio of the S-(-) to the R-(+) enantiomer of about 3. The absolute bioavailability of tolvaptan is unknown. At least 40% of the dose is absorbed as tolvaptan or metabolites. Food does not impact the bioavailability of tolvaptan. ","Interactions":[{"ID":"DB01483"},{"ID":"DB01128"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB00390"},{"ID":"DB00343"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01149"},{"ID":"DB00252"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01323"},{"ID":"DB00661"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06213","Name":"Regadenoson","DrugType":"small molecule","HalfLife":"Initial phase: 2-4 minutes;\r\nIntermediate phase: 30 minutes (this phase coincides with a loss of the pharmacodynamic effect); \r\nTerminal phase: 2 hours ","Description":"Regadenoson is an A2A adenosine receptor agonist that causes coronary vasodilation and used for myocardial perfusion imagining. Manufactured by Astellas and FDA approved April 10, 2008. ","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Diagnostic agent for radionuclide myocardial perfusion imaging (MPI) ","Toxicity":"The most common (incidence ≥ 5%) adverse reactions to regadenoson are dyspnea, headache, flushing, chest discomfort, dizziness, angina pectoris, chest pain, and nausea. \r\nMTD (male, supine position): 20 µg/kg; \r\nMTD (male, standing position): 10 µg/kg;","MechanismOfAction":"Regadenoson is an selective low-affinity (Ki= 1.3 µM) A2A receptor agonist that mimics the effects of adenosine in causing coronary vasodilatation and increasing myocardial blood flow. It is a very weak agonist of the A1 adenosine receptor (Ki \u003e 16.5 µM). Furthermore, it has negligible affinity to A2B and A3 adenosine receptors. Regadenoson is undergoing trials for use in pharmacological stress tests. Adenosine slows conduction time through the A-V node, can interrupt the reentry pathways through the A-V node, and can restore normal sinus rhythm in patients with paroxysmal supraventricular tachycardia (PSVT), including PSVT associated with Wolff-Parkinson-White Syndrome.","Pharmacodynamics":"Regadenoson rapidly increases coronary blood flow (CBF) which is sustained for a short duration. Mean average peak velocity increased to greater than twice baseline by 30 seconds and decreased to less than twice the baseline level within 10 minutes. Myocardial uptake of the radiopharmaceutical is proportional to (CBF). Regadenoson increases blood flow in normal coronary arteries but not in stenotic (blocked) arteries. The significance of this finding is that stenotic arteries will take up less of the radiopharmaceutical than normal coronary arteries, resulting in a signal that is less intense in these areas. ","Absorption":"The pharmacokinetic profile of regadenoson is best described by a 3-compartment model. \r\nT max, injection = 1 to 3 minutes;\r\nOnset of pharmacodynamic response = 1 to 3 minutes; \r\nE max 12.3 ng/mL \r\n","Interactions":[{"ID":"DB01223"},{"ID":"DB00201"},{"ID":"DB00975"},{"ID":"DB00277"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06216","Name":"Asenapine","DrugType":"small molecule","HalfLife":"24 hours (range of 13.4 - 39.2 hours) ","Description":"Developed by Schering-Plough after its merger with Organon International, asenapine is a sublingually administered, atypical antipsychotic for treatment of schizophrenia and acute mania associated with bipolar disorder. Asenapine also belongs to the dibenzo-oxepino pyrrole class. It is also for severe post-traumatic stress disorder nightmares in soldiers as an off-label use. FDA approved on August 13, 2009. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used for treatment in psychosis, schizophrenia and schizoaffective disorders, manic disorders, and bipolar disorders as monotherapy or in combination.","Toxicity":"","MechanismOfAction":"Asenapine is an atypical antipsychotic multireceptor neuroleptic drug which shows strong 5HT2A (serotonin) and D2 (dopamine) receptor antagonism, which has been shown to enhance dopamine (DA) and acetylcholine (Ach) efflux in rat brains. Asenapine may improve cognitive function and negative symptoms in patients with schizophrenia. ","Pharmacodynamics":"Asenapine is a serotonin, dopamine, noradrenaline, and histamine antagonist in which asenapine possess more potent activity with serotonin receptors than dopamine. Sedation in patients is associated with asenapine's antagonist activity at histamine receptors. Its lower incidence of extrapyramidal effects are associated with the upregulation of D1 receptors. This upregulation occurs due to asenapine's dose-dependent effects on glutamate transmission in the brain. It does not have any significant activity with muscarinic, cholinergic receptors therefore symptoms associated with anticholinergic drug activity like dry mouth or constipation are not expected to be observed. Asenapine has a higher affinity for all aforementioned receptors compared to first-generation and second-generation antipsychotics except for 5-HT1A and 5-HT1B receptors. ","Absorption":"Cmax, single 5 mg dose = 4 ng/mL (within 1 hour);\r\nBioavailability, sublingual administration = 35%; \r\nBioavailability, oral administration (swallowed) = \u003c2%; \r\nTime to steady state, 5 mg = 3 days; \r\nPeak plasma concentration occurs within 0.5 to 1.5 hours. Doubling dose of asenapine results in 1.7-fold increase in maximum concentration and exposure. Drinking water within 2-5 minutes post administration of asenapine results in a decrease in exposure. ","Interactions":[{"ID":"DB06697"},{"ID":"DB00564"},{"ID":"DB00176"},{"ID":"DB05039"},{"ID":"DB06708"},{"ID":"DB00904"},{"ID":"DB00715"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB01232"},{"ID":"DB00203"},{"ID":"DB00679"},{"ID":"DB00539"},{"ID":"DB00313"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB01392"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000010","Name":"Asenapine Maleate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06218","Name":"Lacosamide","DrugType":"small molecule","HalfLife":"13 Hours","Description":"Lacosamide is a functionalized amino acid that has activity in the maximal electroshock seizure test, and is indicated for the adjunctive treatment of partial-onset seizures and diabetic neuropathic pain. Recent studies indicate that Lacosamide only affects those neurons which are depolarized or active for long periods of time, typical of neurons at the focus of an epileptic seizure, as opposed to other antiepileptic drugs such as carbamazepine or lamotrigine which slow the recovery from inactivation and reduce the ability of neurons to fire action potentials. ","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Lacosamide is indicated for adjunctive therapy for partial onset seizures in patients with epilepsy over 17 years old. Injection is indicated for short term use when oral therapy is not feasible. ","Toxicity":"","MechanismOfAction":"It is proposed that lacosamide's inhibition of sodium channels is responsible for analgesia. Lacosamide may be selective for inhibiting depolarized neurons rather than neurons with normal resting potentials. Pain and nociceptor hyperexcitability are associated with neural membrane depolarization. Lacosamide binds to collapsin response mediator protein-2 (CRMP-2), a phosphoprotein which is expressed primarily in the nervous system and is involved in neuronal differentiation and control of axonal outgrowth. The role CRMP-2 of binding in seizure control is hasn't been elucidated. ","Pharmacodynamics":"Lacosamide therapy is correlated with a decrease in seizure frequency. It should be noted that in group analyses, dosages above 400 mg/day do not appear to result in additional benefit.","Absorption":"Lacosamide has a negligible first pass effect with bioavailability of about 100%. The maximum Lacosamide plasma concentrations occur about 1-4 hours after oral administration, and the pharmacokinetics of Lacosamide are dose proportional. Food does not affect absorption. ","Interactions":[{"ID":"DB00313"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06228","Name":"Rivaroxaban","DrugType":"small molecule","HalfLife":"The terminal half life is 5-9 hours in adults and 11-13 hours in the elderly.","Description":"Rivaroxaban is an anticoagulant and the first orally active direct factor Xa inhibitor. Unlike warfarin, routine lab monitoring of INR is not necessary. However there is no antidote available in the event of a major bleed. Only the 10 mg tablet can be taken without regard to food. The 15 mg and 20 mg tablet should be taken with food. FDA approved on July 1, 2011. ","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"Rivaroxaban is indicated for the prevention of venous thromboembolic events (VTE) in patients who have undergone total hips replacements and total knee replacement surgery; prevention of stroke and systemic embolism in patients with nonvalvular atrial fibrillation; treatment of deep vein thrombosis (DVT) and pulmonary embolism (PE); to reduce risk of recurrent DVT and/or PE. Due to a lack of safety studies, it is not recommended for use in those under 18 years old. Its use is also not recommended in those with severe renal impairment (\u003c30mL/min).\r\n","Toxicity":"Excessive bleeding. Overdosages should be treated using activated charcoal and supportive measures such as mechanical compression and hemodynamic support. If bleeding is not controlled, the following procoagulants can be administered: activated prothrombin complex concentrate, prothrombin complex concentrate and recombinant factor VIIa. There is also a higher chance of post procedural hemorrhage compared to enoxaparin (1.55% vs. 1.39% respectively). ","MechanismOfAction":"Rivaroxaban competitively inhibits free and clot bound factor Xa. Factor Xa is needed to activate prothrombin (factor II) to thrombin (factor IIa). Thrombin is a serine protease that is required to activate fibrinogen to fibrin, which is the loose meshwork that completes the clotting process. Since one molecule of factor Xa can generate more than 1000 molecules of thrombin, selective inhibitors of factor Xa are profoundly useful in terminating the amplification of thrombin generation. The action of rivaroxaban is irreversible.\r\n \r\n","Pharmacodynamics":"Rivaroxaban is an anticoagulant which binds directly to factor Xa. Thereafter, it effectively blocks the amplification of the coagulation cascade, preventing the formation of thrombus. Rivaroxaban is a unqiue anticoagulant for two reasons. First of all, it is does not involve antithrombin III (ATIII) to exert its anticoagulant effects. Secondly, it is an oral agent whereas the widely used unfractionated heparin and low molecular weight heparins are for parenteral use only. Although the activated partial thromboplastin time (aPTT) and HepTest (a test developed to assay low molecular weight heparins) are prolonged in a dose-dependant manner, neither test is recommended for the assessment of the pharmacodynamic effects of rivaroxaban. Anti-Xa activity and inhibition of anti-Xa activity monitoring is also not recommended despite being influenced by rivaroxaban.","Absorption":"Following oral administration, rivaroxaban is rapidly absorbed and reaches peak plasma concentration in 2-4 hours. Bioavailability of the 10 mg dose is \u003e80%. However, the 15-20 mg dose have a lower bioavailability if taken in the fasted state and consequently should be taken with food. \r\n","Interactions":[{"ID":"DB06605"},{"ID":"DB00006"},{"ID":"DB00758"},{"ID":"DB00872"},{"ID":"DB06695"},{"ID":"DB00063"},{"ID":"DB06414"},{"ID":"DB01381"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01263"},{"ID":"DB00503"},{"ID":"DB00675"},{"ID":"DB00976"},{"ID":"DB00374"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06237","Name":"Avanafil","DrugType":"small molecule","HalfLife":"Mean elimination half-life = 5.36 - 10.66 hours ","Description":"Avanafil is a new phosphodiesterase-5 inhibitor that is faster acting and more selective than other drugs belonging to the same class. Chemically, it is a derivative of pyrimidine and is only available as the S-enantiomer. FDA approved on April 27, 2012. ","Classification":{"Description":"This compound belongs to the pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide.","DirectParent":"Pyrimidinecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"Treatment of erectile dysfunction in males. ","Toxicity":"Avanafil is generally well tolerated. The most commonly reported adverse event are headache and facial flushing. ","MechanismOfAction":"Avanafil is a selective phosphodiesterase 5 (PDE5) enzyme inhibitor used for the treatment of erectile dysfunction caused by diabetes, age induced oxidative stress or other complications. Avanafil inhibits the cGMP specific phosphodiesterase type 5 (PDE5) which is responsible for degradation of cGMP in the corpus cavernosum located around the penis. Penile erection during sexual stimulation is caused by increased penile blood flow resulting from the relaxation of penile arteries and corpus cavernosal smooth muscle. This response is mediated by the release of nitric oxide (NO) from nerve terminals and endothelial cells, which stimulates the synthesis of cGMP in smooth muscle cells. Cyclic GMP causes smooth muscle relaxation and increased blood flow into the corpus cavernosum. The inhibition of phosphodiesterase type 5 (PDE5) by avanafil enhances erectile function by increasing the amount of cGMP.","Pharmacodynamics":"Avanafil is a strong, competitive inhibitor of PDE5. It is also 100-times more potent for PDE5 than PDE6. The IC50 of avanafil is 5.2 nM. Compared to other PDE5 inhibitor like sildenafil and vardenafil, it is 16- and 21-fold more selective for PDE5 respectively. Avanafil does not bind to PDE6 and PDE11 to a considerable degree. The impact of this finding is that avanafil is less likely to cause side effects such as visual disturbances and myalgia. These are side effects that patients on sildenafil or tadalafil are more likely to experience. Furthermore, single oral doses of avanafil (200 mg) administered to healthy male volunteers resulted in mean changes from baseline in systolic/diastolic blood pressure of -5.3/-3.7 mmHg at 1 hour after dosing. Avanafil does not causes changes in QTc interval or ventricular repolarization. ","Absorption":"Avanafil is rapidly absorbed and does not accumulate following multiple doses. \r\nTmax = 30 - 45 minutes;\r\nTime to peak response = 10 minutes (20 minutes shorter than sildenafil) ","Interactions":[{"ID":"DB08822"},{"ID":"DB01151"},{"ID":"DB00199"},{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB01026"},{"ID":"DB00727"},{"ID":"DB00338"},{"ID":"DB00503"},{"ID":"DB00412"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06255","Name":"Incadronate","DrugType":"small molecule","HalfLife":"0.26-0.40 h (t1/2 alpha) and 1.58 - 1.98 h (t1/2 beta). [8]","Description":"Incadronic acid is a third generation bisphosphonate which can suppress bone resorption by osteoclasts. It is used to treat hypercalcemia, and bone disorders associated with malignancy and osteoporosis. In rats with induced hypercalcemia, incadronate has been found to be 46 times more potent than pamidronate and 11 times more potent than aledronate.\r\n\r\nIncadronate has also been found to have anti-tumor effects in mice. In rat models of breast cancer, bisphosphonate treatment has been shown to inhibit the progression and development of bone metastases and reduce tumor burden in vivo. It has also been recognized as a potential treatment for adult T-cell leukaemia which is characterized by hypercalcemia and tumor-induced osteolysis. [4] Incadronate, as well as other nitrogen containing bisphosphonates, such as aledronate and minodronate, have been found to induce apoptosis of hematopoietic tumor cells. In vitro human myeloma cells have undergone apoptosis when exposed to incadronate. [7] \r\n\r\nWhen combined with Tipifarnib, a potent farnesyl transferase inhibitor which can suppress the growth of myeloma cells, growth suppression of myeloma cells in vitro is intensified. [6] Because of these findings Incadronate is being investigated as a treatment for multiple myeloma, a B-cell malignancy associated with bone loss. \r\n\r\nIncadronate is available by prescription only, and is not marked is the United States, UK, Canada, or Australia. [Wikipedia] It is an approved treatment for malignancy-associated hypercalcemia (MAH) in Japan.[3]","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"For the treatment of hypercalcemia associated with malignant disease.","Toxicity":"","MechanismOfAction":"Incadronate suppresses bone resorption by inhibiting osteoclasts. Incadronate was found to induce apoptosis in myeloma cells by S-phase cell cycle arrest via inhibition of the mevalonate (MVA) pathway and activation of the MAPK pathway. [1] Similarly, in studies looking at the potential role of incadronate as a treatment for adult T-cell leukemia, incadronate has been shown to inhibit the growth of T-cell lines infected with the human T-cell leukaemia virus by inducing apoptosis and S-phase cell cycle arrest by inhibiting the mevalonate pathway. \r\n\r\nNitrogen containing bisphosphonates such as incandronate are known to induce apoptosis of hematopoietic tumor cells by inhibiting the Ras signaling pathway, as well as activating the Bim-mediated mitochondrial intrinsic apoptotic pathway. [5] They also induce apoptosis by inhibiting the prenylation of small G-proteins. [5]","Pharmacodynamics":"","Absorption":"Pharmacokinetic studies in patients with MAH have indicated linear pharmacokinetics with intravenous administration. [8]\r\n\r\nIn studies comparing absorption of incadronate in healthy volunteers verses volunteers with MAH plasma levels have been similar at 2 h, however at 8 h the plasma levels are three times higher in patients with MAH. This can be explained by the decrease in renal function experienced by patients with MAH. Notably, however, the plasma levels of incadronate are not as high as expected based on the reduction in renal clearance. This indicates that patients with hypercalcemia may experience enhanced bone uptake of the drug. [8]","Interactions":null,"Salts":[{"ID":"DBSALT000854","Name":"Incadronate disodium hydrate"},{"ID":"DBSALT000559","Name":"Incadronate sodium"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06262","Name":"Droxidopa","DrugType":"small molecule","HalfLife":"2-3 hours.","Description":"Droxidopa is a precursor of noradrenaline that is used in the treatment of Parkinsonism. It is approved for use in Japan and is currently in trials in the U.S. The racaemic form (dl-threo-3,4-dihydroxyphenylserine) has also been used, and has been investigated in the treatment of orthostatic hypotension. There is a deficit of noradrenaline as well as of dopamine in Parkinson's disease and it has been proposed that this underlies the sudden transient freezing seen usually in advanced disease.\r\n\r\nThough L-DOPS has been used in Japan and Southeast Asia already for some time, it is also currently in clinical trials at the phase III point in the United States (U.S.), Canada, Australia, and throughout Europe. Provided L-DOPS successfully completes clinical trials, it could be approved for the treatment of neurogenic orthostatic hypotension (NOH) as early as 2011. Additionally, phase II clinical trials for intradialytic hypotension are also underway. Chelsea Therapeutics obtained orphan drug status (ODS) for L-DOPS in the U.S. for NOH, and that of which associated with Parkinson's disease , pure autonomic failure, and multiple system atrophy, and is the pharmaceutical company developing it in that country.","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For treatment of neurogenic orthostatic hypotension (NOH) associated with various disorders including Multiple System Atrophy, Familial Amyloid Polyneuropathy, hemodialysis induced hypotension and Parkinson's Disease. Also investigated for use/treatment in neurologic disorders, nephropathy, blood (blood forming organ disorders, unspecified), and dizzy/fainting spells.","Toxicity":"Droxidopa has minimal toxic effects and an acute, oral LD50 of more than 5 g/kg in mice, rats, dogs, and monkeys. Side effects occur in in 0.78% of patients and include nausea, headache, increased blood pressure, hallucination, and anorexia.","MechanismOfAction":"Droxidopa crosses the blood-brain barrier where it is converted to norepinephrine via decarboxylation by L-aromatic-amino-acid decarboxylase. Increased levels of norepinephrine in the central nervous system (CNS) may be beneficial to patients in a wide range of indications. Norephinephrine acts at alpha-adrenergic receptors as a vasoconstrictor and at beta-adrenergic receptors as a heart stimulator and artery dilator.","Pharmacodynamics":"Droxidopa is an orally active synthetic precursor of norepinephrine that increases the deficient supply of norepinephrine in patients with NOH, thereby improving orthostatic blood pressure and alleviating associated symptoms of lightheadedness, dizziness, blurred vision, and syncope through the induction of tachycardia (increased heart rate) and hypertension.","Absorption":"Oral bioavailability is 90%.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06267","Name":"Udenafil","DrugType":"small molecule","HalfLife":"","Description":"Udenafil is a new phosphodiesterase type 5 (PDE5) inhibitor used to treat erectile dysfunction (ED). It has been approved in South Korea and will be marketed under the brand name Zydena. It is not yet approved for use in the U.S., E.U., or Canada.","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Investigated for use/treatment in erectile dysfunction and hypertension.","Toxicity":"","MechanismOfAction":"Udenafil inhibits the cGMP specific phosphodiesterase type 5 (PDE5) which is responsible for degradation of cGMP in the corpus cavernosum located around the penis. Penile erection during sexual stimulation is caused by increased penile blood flow resulting from the relaxation of penile arteries and corpus cavernosal smooth muscle. This response is mediated by the release of nitric oxide (NO) from nerve terminals and endothelial cells, which stimulates the synthesis of cGMP in smooth muscle cells. Cyclic GMP causes smooth muscle relaxation and increased blood flow into the corpus cavernosum. The inhibition of phosphodiesterase type 5 (PDE5) by udenafil enhances erectile function by increasing the amount of cGMP.","Pharmacodynamics":"Udenafil is a potent selective phosphodiesterase type 5 (PDE5) inhibitor.","Absorption":"","Interactions":[{"ID":"DB00883"},{"ID":"DB01020"},{"ID":"DB00727"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06268","Name":"Sitaxentan","DrugType":"small molecule","HalfLife":"10 hours","Description":"","Classification":{"Description":"This compound belongs to the benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole.","DirectParent":"Benzodioxoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxoles","SubClass":""},"Indication":"Investigated for use/treatment in pulmonary hypertension, connective tissue diseases, hypertension, and congestive heart failure.","Toxicity":"","MechanismOfAction":"Sitaxentan is a competitive antagonist of endothelin-1 at the endothelin-A (ET-A) and endothelin-B (ET-B) receptors. Under normal conditions, endothelin-1 binding of ET-A or ET-B receptors causes pulmonary vasoconstriction. By blocking this interaction, Sitaxentan decreases pulmonary vascular resistance. Sitaxentan has a higher affinity for ET-A than ET-B.","Pharmacodynamics":"Sitaxentan belongs to a class of drugs known as endothelin receptor antagonists (ERAs). Patients with PAH have elevated levels of endothelin, a potent blood vessel constrictor, in their plasma and lung tissue. Sitaxentan blocks the binding of endothelin to its receptors, thereby negating endothelin's deleterious effects.","Absorption":"70-100%","Interactions":[{"ID":"DB00395"},{"ID":"DB00675"},{"ID":"DB00706"},{"ID":"DB08895"},{"ID":"DB01124"},{"ID":"DB01036"},{"ID":"DB00214"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB00440"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB00682"},{"ID":"DB00549"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06271","Name":"Sulodexide","DrugType":"biotech","HalfLife":"The elimination half-life was 11.7 +/- 2.0 h after intravenous administration, 18.7 +/- 4.1 h after 50 mg per os, and 25.8 +/- 1.9 h after 100 mg per os.","Description":"Sulodexide is a mixture of glycosaminoglycans (GAGs) composed of dermatan sulfate (DS) and fast moving heparin (FMH).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Sulodexide has been used clinically for the prophylaxis and treatment of vascular diseases with increased risk of thrombosis, including intermittent claudication, peripheral arterial occlusive disease and post-myocardial infarc-tion. Also investigated in the treatment of diabetic kidney disease and diabetic neuropathy. New anti-inflammatory properties have also extended its use in venous disease.","Toxicity":"Sulodexide seems to be well tolerated. Most adverse effects reported are related to the GI system and seem to be transient in nature. Among others adverse reactions are diarrhea, epigastralgia, dyspepsia, heartburn and dizziness. Allergic reactions, such as skin rash, have also been reported but are very rare.","MechanismOfAction":"Thrombin inhibition produced by sulodexide is due to the additive effect of its components, namely, heparin cofactor II (HCII) catalysis by dermatan sulfate and antithrombin-III catalysis by fast moving heparin (FMH).","Pharmacodynamics":"The low molecular weight of both sulodexide fractions allows for extensive oral absorption compared to unfractionated heparin. The pharmacological effects of sulodexide differ substantially from other glycosaminoglycans and are mainly characterized by a prolonged half-life and reduced effect on global coagulation and bleeding parameters. Due to the presence of both glycosaminoglycan fractions, sulodexide potentiates the antiprotease activities of both antithrombin III and heparin cofactor II simultaneously. It is capable of inhibiting both anti-IIa and anti-Xa. It promotes fibrinolytic activity by releasing tissue plasminogen activator and reduces plasminogen activator inhibitor. The drug also blocks platelet adhesion and platelet function induced by cathepsin G and thrombin. Research has also shown that Sulodexide had endothelial protective properties by inducing the overexpression of growth factors important for the protection of organs. It has anti-inflammatory properties via its effect on the release of inflammatory mediators from macrophages. This results in anti-proliferative effects such as the regulation of growth factors like VEGF and FGF. \r\nThe intravenous administration has also been shown capable of releasing tissue factor pathway inhibitor from the endothelium, which also contributes to the anti-thrombotic effects of Sulodexide. Lastly, this drug is known for its ability to inhibit the secretion of MMPs, particularly MMP-9, from leukocytes in a dose dependent manner, resulting in the restoration of the balance with their tissue inhibitors.","Absorption":"Sulodexide can be administered via the oral route, IV and IM routes. After oral dosing, the absorption rate being equivalent, the bioavailability is 40-60%. either calculated from the fast-moving heparin fraction or from the dermatan fraction. Bioavailability following IM administration is approximately 90%. After a rapid absorption in the intestine, the dermatan and heparin components start to appear in the plasma. Sulodexide is degraded after ingestion and loses its sulfate groups and both sulfated and unsulfated groups circulate in the blood for up to 24hours. AUC=22.83+/-4.44mg.h/L.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06273","Name":"Tocilizumab","DrugType":"biotech","HalfLife":"The half-life of tocilizumab is concentration-dependent. The concentration-dependent apparent half-life is up to 11 days for 4 mg/kg and up to 13 days for 8 mg/kg every 4 weeks in patients with RA at steady-state. The half-life in children with PJIA is up to 16 days. The half-life in pediatric patients with SJIA is up to 23 days.","Description":"Tocilizumab is a recombinant, humanized, anti-human interleukin 6 (IL-6) receptor monoclonal antibody that achieves a significant therapeutic response rate. The light chain is made up of 214 amino acids. The heavy chain is made up of 448 amino acids. The four polypeptide chains are linked intra- and inter-molecularly by disulfide bonds. FDA approved on January 8, 2010. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Indicated for the treatment of adult patients with moderately to severely active rheumatoid arthritis (RA) who have had an inadequate response to one or more Disease-Modifying Anti-Rheumatic Drugs (DMARDs). It is also indicated for the treatment of active polyarticular juvenile idiopathic arthritis (PJIA) and active systemic juvenile idiopathic arthritis (SJIA) in patients 2 years of age and older.","Toxicity":"Most common adverse reactions (incidence of at least 5%): upper respiratory tract infections, nasopharyngitis, headache, hypertension, increased ALT. ","MechanismOfAction":"Interleukin (IL)-6 plays essential roles not only in the immune response, but also in haematopoiesis and the central nervous system. Deregulated production of IL-6 has been found in chronic inflammatory autoimmune diseases, such as rheumatoid arthritis (RA), systemic onset juvenile idiopathic arthritis (soJIA), Crohn's disease (CD) and systemic lupus erythematosus (SLE). Furthermore, IL-6 activities can explain many symptoms of these diseases. More importantly, serum levels of IL-6 are correlated with disease activity. Tocilizumab binds specifically to both soluble and membrane-bound IL-6 receptors (sIL-6R and mIL-6R), and has been shown to inhibit IL-6-mediated signaling through these receptors.","Pharmacodynamics":"A decrease in C-reactive protein (CRP) was noted as early as week 2. Changes in pharmacodynamic parameters were observed (i.e., decreases in rheumatoid factor, erythrocyte sedimentation rate (ESR), serum amyloid A and increases in hemoglobin) with both doses, however the greatest improvements were observed with 8 mg per kg tocilizumab. Similar pharmacodynamic changes were also observed in active polyarticular juvenile idiopathic arthritis and active systemic juvenile idiopathic arthritis patients. ","Absorption":"When 4 mg/kg of tocilizumab was given every 4 weeks to RA patients, the pharmacokinetic parameters at steady state are as follows: \r\nAUC = 13000 ± 5800 mcg∙h/mL;\r\nCmax = 88.3 ± 41.4 mcg/mL. \r\nTocilizumab accumulates following repeated doses. Furthermore, an increased body weight may increase plasma levels of tocilizumab. \r\n\r\nWhen a dose of 8 mg/kg of tocilizumab is given to PJIA patients, the pharmacokinetic parameters are as follows:\r\nAUC = 29500 ± 8660 mcg∙h/mL;\r\nCmax = 182 ± 37 mcg/mL. \r\n\r\nWhen a dose of 8 mg/kg of tocilizumab is given to SJIA patients, the pharmacokinetic parameters are as follows:\r\nAUC = 32200 ± 9960 mcg∙h/mL;\r\nCmax = 245 ± 57.2 mcg/mL. \r\n","Interactions":[{"ID":"DB01281"},{"ID":"DB00514"},{"ID":"DB00005"},{"ID":"DB06674"},{"ID":"DB00065"},{"ID":"DB00338"},{"ID":"DB06372"},{"ID":"DB00641"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06274","Name":"Alvimopan","DrugType":"small molecule","HalfLife":"10 to 17 hours (gut metabolite: 10 to 18 hours) ","Description":"Alvimopan is a peripherally acting μ opioid antagonist. It is used to avoid postoperative ileus following small or large bowel resection and accelerates the gastrointestinal recovery period. ","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used to accelerate the time to upper and lower gastrointestinal recovery following partial large or small bowel resection surgery with primary anastomosis. Also investigated for use in the treatment of pain (acute or chronic).","Toxicity":"","MechanismOfAction":"Alvimopan competitively binds to mu-opioid receptor in the gastrointestinal tract. Unlike methylnaltrexone (another peripherally acting mu-receptor antagonist) that bears a quaternary amine, alvimopan owes its selectivity for peripheral receptors to its kinetics. Alvimopan binds to peripheral mu-receptors with a Ki of 0.2 ng/mL and dissociates slower than most other ligands.","Pharmacodynamics":"","Absorption":"Alvimopan's high affinity for the peripheral mu-receptor results in an absolute oral bioavailability of less than 7%.","Interactions":[{"ID":"DB00802"},{"ID":"DB01118"},{"ID":"DB01076"},{"ID":"DB00921"},{"ID":"DB00611"},{"ID":"DB01211"},{"ID":"DB00257"},{"ID":"DB00318"},{"ID":"DB01529"},{"ID":"DB00647"},{"ID":"DB01209"},{"ID":"DB01501"},{"ID":"DB01551"},{"ID":"DB01081"},{"ID":"DB01491"},{"ID":"DB00813"},{"ID":"DB01452"},{"ID":"DB00956"},{"ID":"DB00327"},{"ID":"DB08820"},{"ID":"DB01227"},{"ID":"DB00854"},{"ID":"DB00333"},{"ID":"DB00295"},{"ID":"DB00844"},{"ID":"DB00497"},{"ID":"DB01192"},{"ID":"DB01113"},{"ID":"DB00652"},{"ID":"DB00454"},{"ID":"DB00908"},{"ID":"DB00708"},{"ID":"DB06204"},{"ID":"DB00193"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00685","Drugs":["DB00368","DB00988","DB01345","DB01373","DB06274"]}]},{"ID":"DB06285","Name":"Teriparatide","DrugType":"biotech","HalfLife":"","Description":"Teriparatide (recombinant human parathyroid hormone) is a potent anabolic agent used in the treatment of osteoporosis. It is manufactured and marketed by Eli Lilly and Company.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of osteoporosis in men and postmenopausal women who are at high risk for having a fracture. Also used to increase bone mass in men with primary or hypogonadal osteoporosis who are at high risk for fracture.","Toxicity":"Effects of overexposure may include headaches, dizziness, dizziness, decreased blood pressured, decreased fetal survival, leg cramps, changes in clinical chemistry including increased in blood levels of calcium, decreased serum phosphorous, and increased urinary calcium and phosphorus.","MechanismOfAction":"Teriparatide is the portion of human parathyroid hormone (PTH),amino acid sequence 1 through 34 of the complete molecule which contains amino acid sequence 1 to 84. Endogenous PTH is the primary regulator of calcium and phosphate metabolism in bone and kidney. Daily injections of teriparatide stimulate new bone formation leading to increased bone mineral density.","Pharmacodynamics":"Clinical trials indicate that teriparatide increases predominantly trabecular bone in the lumbar spine and femoral neck; it has less significant effects at cortical sites. The combination of teriparatide with antiresorptive agents is not more effective than teriparatide monotherapy. The most common adverse effects associated with teriparatide include injection-site pain, nausea, headaches, leg cramps, and dizziness. After a maximum of two years of teriparatide therapy, the drug should be discontinued and antiresorptive therapy begun to maintain bone mineral density.","Absorption":"Bioavailability is 95% following subcutaneous injection.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06287","Name":"Temsirolimus","DrugType":"small molecule","HalfLife":"Temsirolimus exhibits a bi-exponential decline in whole blood concentrations and the mean half-lives of temsirolimus and sirolimus were 17.3 hr and 54.6 hr, respectively.","Description":"Temsirolimus is an intravenous drug for the treatment of renal cell carcinoma (RCC), developed by Wyeth Pharmaceuticals and approved by the FDA in late May 2007, and was also approved by the European Medicines Agency (EMEA) on November 2007. It is a derivative of sirolimus and is sold as Torisel.","Classification":{"Description":"This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.","DirectParent":"Macrolide Lactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolide Lactams","SubClass":""},"Indication":"For the treatment of renal cell carcinoma (RCC). Also investigated for use/treatment in breast cancer, lymphoma (unspecified), rheumatoid arthritis, and multiple myeloma.","Toxicity":"Temsirolimus has been administered to patients with cancer in phase 1 and 2 trials with repeated intravenous doses as high as 220 mg/m2. The risk of several serious adverse events, including thrombosis, bowel perforation, interstitial lung disease (ILD), seizure, and psychosis, is increased with doses of temsirolimus greater than 25 mg.","MechanismOfAction":"Temsirolimus is an inhibitor of mTOR (mammalian target of rapamycin). Temsirolimus binds to an intracellular protein (FKBP-12), and the protein-drug complex inhibits the activity of mTOR that controls cell division. Inhibition of mTOR activity resulted in a G1 growth arrest in treated tumor cells. When mTOR was inhibited, its ability to phosphorylate p70S6k and S6 ribosomal protein, which are downstream of mTOR in the PI3 kinase/AKT pathway was blocked. In in vitro studies using renal cell carcinoma cell lines, temsirolimus inhibited the activity of mTOR and resulted in reduced levels of the hypoxia-inducible factors HIF-1 and HIF-2 alpha, and the vascular endothelial growth factor.","Pharmacodynamics":"","Absorption":"Infused intravenous over 30 - 60 minutes. C\u003csub\u003emax\u003c/sub\u003e is typically observed at the end of infusion","Interactions":[{"ID":"DB00357"},{"ID":"DB00701"},{"ID":"DB01072"},{"ID":"DB00559"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01234"},{"ID":"DB00625"},{"ID":"DB00544"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00441"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB00951"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB01110"},{"ID":"DB00607"},{"ID":"DB00108"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00238"},{"ID":"DB00622"},{"ID":"DB00776"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01263"},{"ID":"DB00794"},{"ID":"DB00908"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB06372"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01323"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00976"},{"ID":"DB00932"},{"ID":"DB00519"},{"ID":"DB00072"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06288","Name":"Amisulpride","DrugType":"small molecule","HalfLife":"Approximately 12 hours","Description":"Amisulpride (trade name Solian) is an antipsychotic drug sold by Sanofi-Aventis. It is not approved for use in the United States, but is approved for use in Europe and Australia for the treatment of psychoses and schizophrenia. Additionally, it is approved in Italy for the treatment of dysthymia (under the brand name Deniban). Amisulpride is a selective dopamine antagonist.","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"Investigated for use/treatment in schizophrenia and schizoaffective disorders, mania in bipolar disorder, and depression.","Toxicity":"Overdoses of amisulpride have been linked with torsades de pointes.","MechanismOfAction":"Amisulpride binds selectively to dopamine D(2) and D(3) receptors in the limbic system. Low doses of amisulpride preferentially block presynaptic D(2)/D(3)-dopamine autoreceptors, thereby enhancing dopaminergic transmission, whereas higher doses block postsynaptic receptors, thus inhibiting dopaminergic hyperactivity. It may also have 5-ht7 antagonistic effect, useful in depression treatment.","Pharmacodynamics":"","Absorption":"Bioavailability is 48% following oral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06290","Name":"SIMEPREVIR","DrugType":"small molecule","HalfLife":"The half-life of simeprevir is about 41 hours in HCV patients.","Description":"Simeprevir is a hepatitis C virus (HCV) NS3/4A protease inhibitor indicated in patient's with HCV genotype 1 for the treatment of chronic hepatitis as a combination therapy, which includes peginterferon alfa and ribavirin. It was approved by the FDA in November 2014 and is marketed under the brand name Olysio.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Simeprevir is indicated in patient's with hepatitis C virus (HCV) genotype 1 for the treatment of chronic hepatitis as a combination therapy, which includes peginterferon alfa and ribavirin.\r\n\r\n","Toxicity":"In patients receiving the combination therapy, the most common adverse reactions were nausea, pruritus, photosensitivity, and rash.","MechanismOfAction":"Simeprevir functions as a direct-acting antiviral agent because it inhibits hepatitis C viral replication by binding to and inhibiting the protease, hepatitis C virus (HCV) NS3/4A.","Pharmacodynamics":"Simeprevir is a protease inhibitor for HCV NS3/4A protease, which is required for replication of the virus.","Absorption":"After oral administration, simeprevir reaches its maximum plasma concentrations in 4-6 hours.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06292","Name":"Dapagliflozin","DrugType":"small molecule","HalfLife":"13.8 hours with the consumption of a 50 mg dose. ","Description":"Dapagliflozin is indicated for the management of diabetes mellitus type 2, and functions to improve glycemic control in adults when combined with diet and exercise. Dapagliflozin is a sodium-glucose cotransporter 2 inhibitor, which prevents glucose reabsorption in the kidney. Using dapagliflozin leads to heavy glycosuria (glucose excretion in the urine), which can lead to weight loss and tiredness. Dapagliflozin was approved by the FDA on Jan 08, 2014. Dapagliflozin is not recommended for patients with type 1 diabetes mellitus or for the treatment of diabetic ketoacidosis. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Dapagliflozin is indicated for adjunct management of glycemic control in patients with type 2 diabetes mellitus, in combination with diet and exercise. ","Toxicity":"Compared to placebo-treated patients, patients with moderate renal impairment treated with dapagliflozin did not have improvement in glycemic control and had more renal-related adverse reactions and more bone fractures; therefore, dapagliflozin should not be initiated in this population.\r\nBased on its mechanism of action, dapagliflozin is not expected to be effective in patients with severe renal impairment (eGFR less than 30 mL/min/1.73 m2) or ESRD.","MechanismOfAction":"A competitive inhibitor of the sodium-glucose transport subtype 2 protein, dapagliflozin blocks glucose reabsorption into the kidney, resulting in the elimination of blood glucose through the urine. ","Pharmacodynamics":"Increases in the amount of glucose excreted in the urine were observed in healthy subjects and in patients with type 2 diabetes mellitus following the administration of dapagliflozin. A Dapagliflozin dose of 10 mg per day in patients with type 2 diabetes mellitus for 12 weeks resulted in excretion of approximately 70 grams of glucose in the urine per day at week 12. A near maximum glucose excretion was observed at the dapagliflozin daily dose of 20 mg. This urinary glucose excretion with dapagliflozin also results in increases in urinary volume.","Absorption":"Cmax is about 1 hour. (Obtained from 6 adult men in a fasted state administered a 50mg dose). 1.6% of unchanged dapagliflozin was found in the urine. A high-fat meal (52% caloric content) had no significant effect on previous pharmacokinetic parameters. ","Interactions":null,"Salts":[{"ID":"DBSALT001101","Name":"dapagliflozin propanediol monohydrate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06335","Name":"Saxagliptin","DrugType":"small molecule","HalfLife":"Saxagliptin = 2.5 hours;\r\n5-hydroxy saxagliptin = 3.1 hours; ","Description":"Saxagliptin (rINN) is an orally active hypoglycemic (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. FDA approved on July 31, 2009. ","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Treatment of type 2 diabetes mellitus to improve glycemic control in combination with other agents or as monotherapy. ","Toxicity":"Adverse reactions reported in ≥5% of patients treated with saxagliptin and more commonly than in patients treated with placebo are: upper respiratory tract infection, urinary tract infection, and headache.","MechanismOfAction":"Saxagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor antidiabetic for the treatment of type 2 diabetes. DPP-4 inhibitors are a class of compounds that work by affecting the action of natural hormones in the body called incretins. Incretins decrease blood sugar by increasing consumption of sugar by the body, mainly through increasing insulin production in the pancreas, and by reducing production of sugar by the liver. [Bristol-Myers Squibb Press Release]\r\nDPP-4 is a membrane associated peptidase which is found in many tissues, lymphocytes and plasma. DPP-4 has two main mechanisms of action, an enzymatic function and another mechanism where DPP-4 binds adenosine deaminase, which conveys intracellular signals via dimerization when activated. Saxagliptin forms a reversible, histidine-assisted covalent bond between its nitrile group and the S630 hydroxyl oxygen on DPP-4. The inhibition of DPP-4 increases levels active of glucagon like peptide 1 (GLP-1), which inhibits glucagon production from pancreatic alpha cells and increases production of insulin from pancreatic beta cells.\r\n","Pharmacodynamics":"Post-administration of saxagliptin, GLP-1 and GIP levels rise up to 2- to 3- fold. Because it is very selective of DPP-4 inhibition, there are fewer systemic side effects. Saxagliptin inhibits DPP-4 enzyme activity for a 24-hour period. It also decreased glucagon concentrations and increased glucose-dependent insulin secretion from pancreatic beta cells. The half maximal inhibitory concentration (IC50) is 0.5 nmol/L. Saxagliptin did not prolong the QTc interval to a clinically significant degree. ","Absorption":"Following a 5 mg single oral dose of saxagliptin to healthy subjects, the mean plasma AUC values for saxagliptin and its active metabolite were 78 ng•h/mL and 214 ng•h/mL, respectively. The corresponding plasma Cmax values were 24 ng/mL and 47 ng/mL, respectively. Saxagliptin did not accumulate following repeated doses. The median time to maximum concentration (Tmax) following the 5 mg once daily dose was 2 hours for saxagliptin and 4 hours for its active metabolite.\r\nBioavailability, 2.5 - 50 mg dose = 67% ","Interactions":[{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB00343"},{"ID":"DB00199"},{"ID":"DB00224"},{"ID":"DB01026"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00641"},{"ID":"DB00052"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000158","Name":"Saxagliptin Hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06366","Name":"Pertuzumab","DrugType":"biotech","HalfLife":"18 days ","Description":"Pertuzumab is a recombinant humanized monoclonal antibody that targets the extracellular dimerization domain (Subdomain II) of the human epidermal growth factor receptor 2 protein (HER2). It consists of two heavy chains and two lights chains that have 448 and 214 residues respectively. FDA approved June 8, 2012. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Pertuzumab is indicated for use in combination with trastuzumab and docetaxel for the treatment of patients with HER2-positive metastatic breast cancer who have not received prior anti-HER2 therapy or chemotherapy for metastatic disease.","Toxicity":"The most common adverse reactions (\u003e 30%) with PERJETA in combination with trastuzumab and docetaxel were diarrhea, alopecia, neutropenia, nausea, fatigue, rash, and peripheral neuropathy.","MechanismOfAction":"Pertuzumab is a humanized monoclonal antibody designed to bind to the HER2 receptor and inhibit the ability of HER2 to interact with other HER family members (HER1, HER2, HER3, and HER4) on the surface of cancer cells. The HER signaling pathway plays a role in the formation and growth of numerous cancers, and previous clinical trials of pertuzumab in a single agent setting had suggested clinical activity - including stable disease - in heavily pretreated patients with advanced ovarian and breast cancers. ","Pharmacodynamics":"","Absorption":"When an initial dose of 840 mg followed by a maintenance dose of 420 mg every three weeks thereafter is administered, steady-state concentrations were achieved on the first maintenance dose. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06372","Name":"Rilonacept","DrugType":"biotech","HalfLife":"8.6 days","Description":"Rilonacept is a dimeric fusion protein consisting of portions of IL-1R and the IL-1R accessory\r\nprotein linked to the Fc portion of immunoglobulin G1. Rilonacept functions as an interleukin 1 inhibitor and is used in the treatment of CAPS, also known as cryopyrin-associated periodic syndromes, including familial cold auto-inflammatory syndrome (FCAS) and Muckle-Wells Syndrome (MWS), in adults and children greater than 12 years old. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Rilonacept is currently used in the treatment of cryopyrin-associated periodic syndrome. In May 2012, an advisory panel for the FDA voted 11-0 against the use of Rilonacept for the treatment of gout. ","Toxicity":"","MechanismOfAction":"CAPS refer to rare genetic syndromes generally caused by mutations in the NLRP-3 [Nucleotide-binding domain, leucine rich family (NLR), pyrin domain containing 3] gene (also known as Cold-Induced Auto-inflammatory Syndtrome-1 [CIAS1]). CAPS disorders are inherited in an autosomal dominant pattern with male and female offspring equally affected. Fever, urticaria-like rash, arthralgia, myalgia, fatigue, and conjunctivitis are features common to all disorders. In most cases, inflammation in CAPS is associated with mutations in the NLRP-3 gene which encodes the protein cryopyrin, an important component of the inflammasome. Cryopyrin regulates the protease caspase-1 and controls the activation of interleukin-1 beta (IL-1β). Mutations in NLRP-3 result in an overactive inflammasome resulting in excessive release of activated IL-1β that drives inflammation. Rilonacept blocks IL-1β signaling by acting as a soluble decoy receptor that binds IL-1β and prevents its interaction with cell surface receptors. Rilonacept also binds IL-1α and IL-1 receptor antagonist (IL-1ra) with reduced affinity. By binding IL-1, rilonacept prevents the activation of IL-1 receptors, thus reducing inflammatory responses and other effects related to an excess of IL-1.","Pharmacodynamics":"Treatment with Rilonacept resulted in decreased levels of mean C-Reactive Protein (CRP) and Serum Amyloid A (SAA). Higher levels of CRP and SAA are associated with inflammatory disease activity found in patients with Cryopyrin-Associated Periodic Syndromes. ","Absorption":"","Interactions":[{"ID":"DB00051"},{"ID":"DB00092"},{"ID":"DB00026"},{"ID":"DB00098"},{"ID":"DB00993"},{"ID":"DB00074"},{"ID":"DB06681"},{"ID":"DB06681"},{"ID":"DB06681"},{"ID":"DB06168"},{"ID":"DB00091"},{"ID":"DB00111"},{"ID":"DB00004"},{"ID":"DB06643"},{"ID":"DB00095"},{"ID":"DB00005"},{"ID":"DB01590"},{"ID":"DB05259"},{"ID":"DB06674"},{"ID":"DB06674"},{"ID":"DB01611"},{"ID":"DB00065"},{"ID":"DB01097"},{"ID":"DB00563"},{"ID":"DB00075"},{"ID":"DB00688"},{"ID":"DB06688"},{"ID":"DB00877"},{"ID":"DB00864"},{"ID":"DB06287"},{"ID":"DB01041"},{"ID":"DB06273"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06402","Name":"Telavancin","DrugType":"small molecule","HalfLife":"Terminal elimination half-life = 8 ± 1.5 hours (with normal renal function) ","Description":"Telavancin is a semi-synthetic derivative of vanocymycin that has bactericidal activity against Methicillin-resistant Staphylococcus aureus (MRSA is an important pathogen causing hospital-acquired pneumonia (HAP) worldwide) and other gram-positive bacteria. FDA approved on September 11, 2009. ","Classification":{"Description":"This compound belongs to the cyclic glycopeptides and derivatives. These are compounds containing a a carbohydrate covalently attached to a the backbone of a cyclic peptide.","DirectParent":"Cyclic Glycopeptides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Treatment of complicated skin infections caused by gram-positive bacteria like methicillin-susceptible or -resistant Staphylococcus aureus, vancomycin-susceptible Enterococcus faecalis, and Streptococcus pyogenes, Streptococcus agalactiae, or Streptococcus anginosus group. ","Toxicity":"","MechanismOfAction":"Telavancin is a bactericidal lipoglycopeptide that is active against a broad range of gram-positive bacteria. Telavancin prevents polymerization of N-acetylmuramic acid (NAM) and N-acetylglucosamine (NAG) and cross-linking of peptidoglycan by binding to D-Ala-D-Ala. As a result, inhibition of bacterial cell wall synthesis occurs. Furthermore, telavancin disrupts membrane potential and cell permeability as a result of the lipophillic side chain moiety. This additional bactericidal mechanism is what sets telavancin apart from vancomycin. ","Pharmacodynamics":"Telavancin is a semi-synthetic derivative of vancomycin, therefore the mode of bactericidal action is similar to vancomycin in which both antibiotics inhibit cell wall synthesis. Not only that, it displays concentration-dependent bactericidal action. Furthermore, telavancin is a more potent inhibitor (10-fold) of peptidoglycan synthesis and, unlike vancomycin, disrupts cell membrane integrity via its interaction with lipid II. AUC/MIC ratio best predicts the extent of in-vivo response in which the higher the ratio, the greater the bactericidal activity. The smallest ratio in which one would be able to observe no bacterial growth at 24 hours is 50. Maximal bactericidal activity is observed at a AUC/MIC ratio of 404. ","Absorption":"Telavancin demonstrates linear pharmacokinetics at doses between 1 and 12.5 mg/kg. Furthermore, 24 hours post-infusion of a dose of 7.5 to 15 mg/kg, activity against MRSA and penicillin-resistant Streptococcus pneumonia can still be observed. The trough concentration at this point of time is approximately 10\r\nμg/mL. Telavancin also has poor bioavailability and must be administered over 30-120 minutes IV. \r\nCmax, healthy subjects, 10 mg/kg = 93.6 ± 14.2 μg/mL;\r\nAUC (0- ∞), healthy subjects, 10 mg/kg = 747 ± 129 μg · h/mL;\r\nAUC (0-24h), healthy subjects, 10 mg/kg = 666± 107 μg · h/mL;\r\nTime to steady state = 3 days;","Interactions":[{"ID":"DB01118"},{"ID":"DB01169"},{"ID":"DB06697"},{"ID":"DB00637"},{"ID":"DB01244"},{"ID":"DB00604"},{"ID":"DB00280"},{"ID":"DB00308"},{"ID":"DB00808"},{"ID":"DB06708"},{"ID":"DB00904"},{"ID":"DB00738"},{"ID":"DB01100"},{"ID":"DB01035"},{"ID":"DB00908"},{"ID":"DB01232"},{"ID":"DB00489"},{"ID":"DB00342"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000170","Name":"Telavancin Hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06414","Name":"Etravirine","DrugType":"small molecule","HalfLife":"Half life of 9.05-41 hours. ","Description":"Etravirine is an antiretroviral agent more specifically classified as a Non-Nucleoside Reverse Transcriptase Inhibitor(NNRTI). Etraverine is used clinically for the treatment of human immunodeficiency virus type 1 (HIV-1) infection. \r\nOn January 18, 2007, the FDA granted accelerated approved for the use of etravirine 100mg tablets in the treatment of adult HIV-1 infection documented to be resistant to therapy with other NNRTIs and antiretroviral agents. On March 26, 2012, approval was extended for use in treatment-experienced pediatric patients 6 to 18 years of age, weighing at least 16 kg. Etravarine must always be used in combination with other antiretroviral drugs. \r\n\r\nEtravirine exerts its effects via direct inhibition of the reverse transcriptase enzyme of human immunodeficiency virus type 1 (HIV-1), and consequently blocks DNA-dependent and RNA-dependent polymerase activity. Etravirine does not inhibit human DNA polymerase alpha, beta or gamma. \r\n\r\nCommon side effects of use include mild to moderate rash within the first 6 weeks of therapy, nausea, diarrhea and peripheral neuropathy. Patients are advised to immediately contact their healthcare provider if a rash develops. \r\n\r\nIn 2009, postmarketing case reports of Stevens-Johnson Syndrome, toxic epidermal necrolysis, erythema multiforme, and other hypersensitivity reactions lead to a revision of etravirine's \"Warnings and Precautions,\" as well as notification of health care providers. \r\n\r\nIn 2013, reports of Autoimmune disorders (such as Graves’ disease, polymyositis, and Guillain-Barré\r\nsyndrome) in the setting of immune reconstitution, as well as more in depth information about the development of rashes in patients taking etravirine, lead to a modification of etravirine's monograph. ","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"Indicated as an adjunct therapy in the treatment of adult HIV-1 infections resistant to therapy with other NNRTIs and antiretroviral agents. ","Toxicity":"\r\n","MechanismOfAction":"Etravirine exerts its effects via direct inhibition of the reverse transcriptase enzyme of human immunodeficiency virus type 1 (HIV-1). It directly binds reverse transcriptase and consequently blocks DNA-dependent and RNA-dependent polymerase activity. Etravirine does not inhibit human DNA polymerase alpha, beta or gamma. \r\n","Pharmacodynamics":"Clinical trials have shown no prolongation of QT intervals on electrocardiograms after 8 days of dosing. ","Absorption":"Maximum oral absorption is achieved in 2.5-4 hours. \r\n\r\nAbsorption is unaffected by the concomitant use of oral ranitidine or omeprazole, which decrease gastric acidity. \r\n\r\nAdministration under fasting conditions resulted in a near 50% decrease in systemic exposure (AUC) when compared to administration after a meal. ","Interactions":[{"ID":"DB01118"},{"ID":"DB01118"},{"ID":"DB06605"},{"ID":"DB01238"},{"ID":"DB06697"},{"ID":"DB01072"},{"ID":"DB01076"},{"ID":"DB06626"},{"ID":"DB01244"},{"ID":"DB08873"},{"ID":"DB00188"},{"ID":"DB06616"},{"ID":"DB08870"},{"ID":"DB00921"},{"ID":"DB08875"},{"ID":"DB00564"},{"ID":"DB01136"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB00758"},{"ID":"DB08865"},{"ID":"DB01264"},{"ID":"DB01254"},{"ID":"DB01609"},{"ID":"DB00705"},{"ID":"DB00829"},{"ID":"DB00390"},{"ID":"DB00280"},{"ID":"DB04855"},{"ID":"DB00625"},{"ID":"DB01590"},{"ID":"DB00990"},{"ID":"DB01195"},{"ID":"DB01095"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00317"},{"ID":"DB01018"},{"ID":"DB01181"},{"ID":"DB00619"},{"ID":"DB08820"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB00281"},{"ID":"DB08882"},{"ID":"DB01601"},{"ID":"DB00227"},{"ID":"DB08815"},{"ID":"DB08815"},{"ID":"DB04835"},{"ID":"DB00333"},{"ID":"DB00379"},{"ID":"DB00834"},{"ID":"DB00238"},{"ID":"DB01115"},{"ID":"DB04868"},{"ID":"DB00401"},{"ID":"DB01229"},{"ID":"DB06589"},{"ID":"DB00008"},{"ID":"DB08883"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01058"},{"ID":"DB01058"},{"ID":"DB00794"},{"ID":"DB01182"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB00615"},{"ID":"DB04220"},{"ID":"DB08864"},{"ID":"DB06228"},{"ID":"DB01656"},{"ID":"DB01656"},{"ID":"DB06176"},{"ID":"DB01232"},{"ID":"DB00203"},{"ID":"DB00641"},{"ID":"DB00398"},{"ID":"DB01323"},{"ID":"DB00706"},{"ID":"DB05521"},{"ID":"DB08816"},{"ID":"DB00932"},{"ID":"DB01036"},{"ID":"DB06212"},{"ID":"DB00539"},{"ID":"DB00193"},{"ID":"DB00656"},{"ID":"DB05294"},{"ID":"DB00541"},{"ID":"DB00582"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06439","Name":"Tyloxapol","DrugType":"small molecule","HalfLife":"","Description":"Tyloxapol is a non-ionic detergent often used as a surfactant.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used as a surfactant to aid liquefaction and removal of mucopurulent (containing mucus and pus) bronchopulmonary secretions, administered by inhalation through a nebulizer or with a stream of oxygen. Also investigated for use/treatment in cystic fibrosis and pediatric indications.","Toxicity":"Acute oral LD50 in 1000 mg/kg in mouse and 5000 mg/kg in rat.","MechanismOfAction":"Tyloxapol, when injected IP, blocks plasma lipolytic activity, and thus the breakdown of triglyceride-rich lipoproteins. It has also been shown to be inhibitor of lipoprotein lipase, thus preventing triglyceride uptake.\r\n\r\n","Pharmacodynamics":"It is used as a surfactant to aid liquefaction and removal of mucopurulent (containing mucus and pus) bronchopulmonary secretions. Tyloxapol also blocks plasma lipolytic activity, and thus the breakdown of triglyceride-rich lipoproteins.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06554","Name":"Gaboxadol","DrugType":"small molecule","HalfLife":"","Description":"Gaboxadol also known as 4,5,6,7-tetrahydroisoxazolo(5,4-c)pyridin-3-ol (THIP) is an experimental sleep aid drug developed by Lundbeck and Merck. In March, 2007, Merck and H. Lundbeck cancelled work on the drug, citing safety concerns and the failure of an efficacy trial. It acts on the GABA system, but possibly in a different way from benzodiazepines, nonbenzodiazepines and barbiturates - (Valium, Sodium Pentothal, Ambien etc.). Lundbeck states that gaboxadol also increases deep sleep (stage 4). It is, however, not reinforcing like benzodiazepines are. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for use/treatment in sleep disorders and insomnia.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06581","Name":"Bevirimat","DrugType":"small molecule","HalfLife":"56.3 to 69.5 hours","Description":"Bevirimat, also known as PA-457 or YK-FH312, is investigated in clinical trials for treating HIV infection. Bevirimat is a solid. This compound belongs to the androgens and derivatives, which are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Bevirimat targets the protein gag-pol polyprotein. Bevirimat is derived from a betulinic acid-like compound, first isolated from \u003ci\u003eSyzygium claviflorum\u003c/i\u003e, a Chinese herb. It is not currently FDA-approved, but is undergoing clinical trials conducted by the pharmaceutical company Panacos.","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"Investigated for use/treatment in HIV infection.","Toxicity":"","MechanismOfAction":"Bevirimat has a novel mechanism of action, specifically inhibiting cleavage of spacer peptide 1 (SP1) from the C-terminus of capsid which results in defective core condensation. Specifically, bevirimat binds at the SP1/capsid junction, preventing cleavage by HIV protease.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06589","Name":"Pazopanib","DrugType":"small molecule","HalfLife":"35 hours. Oral absorption is not the rate limiting step of elimination from the plasma. ","Description":"Pazopanib is a small molecule inhibitor of multiple protein tyrosine kinases with potential antineoplastic activity. It is developed by GlaxoSmithKline and was FDA approved on October 19, 2009.","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"Treatment of advanced renal cell cancer and advanced soft tissue sarcoma (in patients previously treated with chemotherapy) ","Toxicity":"","MechanismOfAction":"Pazopanib is a second-generation multitargeted tyrosine kinase inhibitor against vascular endothelial growth factor receptor-1, -2, and -3, platelet-derived growth factor receptor-alpha, platelet-derived growth factor receptor-beta, and c-kit. These receptor targets are part of the angiogenesis pathway that facilitates the formation of tumour blood vessel for tumour survival and growth. ","Pharmacodynamics":"Pazopanib is a synthetic indazolylpyrimidine and reaches steady state concentrations of \u003e15 μg/ml. This concentration is high enough to observe maximal inhibition of VEGFR2 phosphorylation and some anti-tumour activity (concentration required to inhibit receptors is 0.01 - 0.084 μmol/L). A reduction in tumour blood flow, increased tumour apoptosis, inhibition of tumour growth, reduction in tumour interstitial fluid pressure, and hypoxia in cancer cells can be observed in patients receiving treatment. ","Absorption":"Absorption of pazopanib in cancer patients is slow and incomplete. In patients with solid tumour, over a dose range of 50-2000 mg, absorption is nonlinear. Significant accumulation of pazopanib can also be observed in patients receiving 800 mg once daily for 22 days. Crushing tablets may increase exposure (increase in Cmax and AUC, while Tmax decreases by 2 hours). \r\nBioavailability, oral tablet 800 mg, cancer patient = 21%;\r\nBioavailability may be low due to incomplete absorption from the gastrointestinal tract. The major circulating component of the drug in the systemic is pazopanib, and not its metabolites. \r\nMean maximum plasma concentration= 58.1 µg/mL;\r\nMean AUC= 1037 µg · h/mL; ","Interactions":[{"ID":"DB06697"},{"ID":"DB00564"},{"ID":"DB00501"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB01181"},{"ID":"DB00762"},{"ID":"DB01167"},{"ID":"DB08820"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB06708"},{"ID":"DB01149"},{"ID":"DB00904"},{"ID":"DB01229"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00641"},{"ID":"DB00539"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":[{"ID":"DBSALT000135","Name":"Pazopanib Hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06590","Name":"Ceftaroline fosamil","DrugType":"small molecule","HalfLife":"1.60 hours (600 mg dose).","Description":"Ceftaroline fosamil is a cephalosporin antibacterial indicated for the treatment of the following infections caused by designated susceptible bacteria:\r\nAcute bacterial skin and skin structure infections. \r\nCommunity-acquired bacterial pneumonia.","Classification":{"Description":"This compound belongs to the cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moeity or a derivative thereof.","DirectParent":"Cephalosporins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"Ceftaroline fosamil is indicated for the treatment of patients with the following infections caused by susceptible isolates of the designated microorganisms.","Toxicity":"LD50/LC50:\r\nDraize test, rabbit, eye: 100 mg/24H Moderate; Oral,\r\nmouse: LD50 = 300 mg/kg; Oral, rabbit: LD50 = 3200 mg/kg; Oral, rat:\r\nLD50 = 980 mg/kg.","MechanismOfAction":"Ceftaroline fosamil is an antibacterial drug. ","Pharmacodynamics":"The time that unbound plasma concentration of ceftaroline exceeds the minimum inhibitory concentration (MIC) of the infecting organism has been shown to best correlate with efficacy in a neutropenic murine thigh infection model with S. aureus and S. pneumoniae.\r\n\r\nNo significant effect on QTc (corrected QT interval) interval was detected at peak plasma concentration or at any other time.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06594","Name":"Agomelatine","DrugType":"small molecule","HalfLife":"\u003c2 hours","Description":"Agomelatine is structurally closely related to melatonin. Agomelatine is a potent agonist at melatonin receptors and an antagonist at serotonin-2C (5-HT2C) receptors, tested in an animal model of depression. Agomelatine was discovered and developed by the European pharmaceutical company Servier Laboratories Ltd. Servier continue to develop the drug and conduct phase III trials in the European Union. In 2005 Servier submitted Agomelatine to the European Medicines Agency (EMEA). On 27 July 2006 the Committee for Medical Products for Human Use (CHMP) of the EMEA recommended a refusal of the marketing authorisation of Valdoxan/Thymanax. The major concern was that efficacy had not been sufficiently shown. In 2006 Servier sold the rights to develop Agomelatine in the US to Novartis.\r\n\r\nThe development for the US market was discontinued in October 2011. It is currently sold in Australia under the Valdoxan trade name.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"Agomelatine is indicated for the treatment of major depressive episodes in adults.","Toxicity":"","MechanismOfAction":"The novel antidepressant agent, agomelatine, behaves as an agonist at melatonin receptors (MT1 and MT2) and as an antagonist at serotonin (5-HT)(2C) receptors.","Pharmacodynamics":"Agomelatine resynchronises circadian rhythms in animal models of delayed sleep phase syndrome and other circadian rhythm disruptions. It increases noradrenaline and dopamine release specifically in the frontal cortex and has no influence on the extracellular levels of serotonin. Agomelatine has shown an antidepressant-like effect in animal models of depression (learned helplessness test, despair test, chronic mild stress) as well as in models with circadian rhythm desynchronisation and in models related to stress and anxiety. In humans, agomelatine has positive phase shifting properties; it induces a phase advance of sleep, body temperature decline and melatonin onset. Controlled studies in humans have shown that agomelatine is as effective as the SSRI antidepressants paroxetine and sertraline in the treatment of major depression","Absorption":"Bioavailability is less than 5%.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06605","Name":"Apixaban","DrugType":"small molecule","HalfLife":"If administered orally, the half life is 12 hours (due to prolonged absorption). If administerd by I.V., the half-life is about 5 hours.","Description":"Apixaban is an oral, direct, and highly selective factor Xa (FXa) inhibitor (of both free and prothrombinase-bound FXa independently of antithrombin III) for the prevention and treatment of thromboembolic diseases. It is marketed under the name Eliquis. FDA approved on December 28, 2012. ","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"Apixaban is to reduce the risk of stroke and systemic embolism in patients with nonvalvular atrial fibrillation. It has also been used to lower the risk of developing venous thrombosis post-orthopedic surgical procedures. ","Toxicity":"Major bleeding events. ","MechanismOfAction":"Apixaban acts by directly inhibiting, in a reversible manner, free and clot-bound factor Xa to inhibit coagulation.","Pharmacodynamics":"Apixaban acts by inhibiting coagulation, and thus prevents development of blood clots. As a result of FXa inhibition, apixaban prolongs clotting tests such as prothrombin time (PT), INR, and activated partial thromboplastin time (aPTT). Changes observed in these clotting tests at the expected therapeutic dose, however, are small, subject to a high degree of variability, and not useful in monitoring the anticoagulation effect of apixaban. The Rotachrom® Heparin chromogenic assay is not recommended for assessing the anticoagulant effect of apixaban. ","Absorption":"Apixaban is absorbed in the stomach and small intestine. For doses up to 10 mg, the absolute bioavailability is about 50%. For oral administration, absorption is not affected by the presence of food, and it takes about 3-4 hours to achieve maximum plasma concentrations. For large oral doses equal or greater than 25 mg, absorption is dissolution limited and bioavailability is decreased. Most of the absorption occurs in the distal small intestine and the ascending colon.","Interactions":[{"ID":"DB06695"},{"ID":"DB01225"},{"ID":"DB00063"},{"ID":"DB06414"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00788"},{"ID":"DB01263"},{"ID":"DB00503"},{"ID":"DB06228"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06614","Name":"Peramivir","DrugType":"small molecule","HalfLife":"","Description":"Peramivir is an experimental antiviral drug being developed by Biocryst Pharmaceuticals to treat influenza A/B. The development of peramivir is supported by the US Department of Health and Human Services as part of the government's effort to prepare for a flu pandemic. The drug has had a long history. An oral formulation was abandoned by Johnson and Johnson due to poor bioavailability. BioCryst is now developing a injectable version, in partnership with Green Cross Pharmaceuticals in South Korea and with Shionogi Pharmaceuticals in Japan. The drug is in Phase II studies.","Classification":{"Description":"This compound belongs to the delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.","DirectParent":"Delta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Investigated for use/treatment in influenza.","Toxicity":"","MechanismOfAction":"Peramivir is a neuraminidase inhibitor, acting as a transition-state analogue inhibitor of influenza neuraminidase and thereby preventing new viruses from emerging from infected cells.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06616","Name":"Bosutinib","DrugType":"small molecule","HalfLife":"Terminal phase elimination half-life, single oral dose, fed-state = 22.5 hours ","Description":"Bosutinib is a Bcr-Abl kinase inhibitor for the treatment of Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML). Compared to other tyrosine kinase inhibitors, it has a more favourable hematologic toxicity profile. FDA approved on September 4, 2012. ","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"Treatment of chronic, accelerated, or blast phase Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML) with resistance or intolerance to prior therapy in adult patients. ","Toxicity":"Most common adverse reactions (incidence greater than 20%) are diarrhea, nausea, thrombocytopenia, vomiting, abdominal pain, rash, anemia, pyrexia, and fatigue. Because bosutinib is not an inhibitor of c-KIT or PDGF receptor, it has less hematologic toxicities. ","MechanismOfAction":"Bosutinib is a tyrosine kinase inhibitor. Although it is able to inhibit several tyrosine kinases such as Src, Lyn, and Hck, which are members of the Src-family of kinases, its primary target is the Bcr-Abl kinase. The Bcr-Abl gene is a chimeric oncogene created from the fusion of the breakpoint-cluster (Bcr) gene and Abelson (Abl) tyrosine gene. This chromosomal abnormality results in the formation of what is commonly known as the Philadelphia chromosome or Philadelphia translocation. The Bcr-Abl gene expresses a particular kinase that promotes the progression of CML. A decrease in the growth and size of the CML tumour has been observed following administration of bosutinib. Bosutinib did not inhibit the T315I and V299L mutant cells. ","Pharmacodynamics":"","Absorption":"Food increase the exposure of bosutinib. \r\nTmax, single dose, cancer patients, fed-state = 4-6 hours;\r\nAfter 15 daily doses of bosutinib 500 mg with food in CML patients, the pharmacokinetic parameters are as follows:\r\nCmax = 200 ng/mL; \r\nAUC = 3650 ng∙h/mL\r\n","Interactions":[{"ID":"DB05812"},{"ID":"DB08865"},{"ID":"DB00390"},{"ID":"DB06414"},{"ID":"DB01026"},{"ID":"DB00448"},{"ID":"DB01045"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06623","Name":"Flupirtine","DrugType":"small molecule","HalfLife":"6.5 hrs (average), 11.2-16.8 hrs (average 14 hrs) (elderly), 8.7-10.9 hrs (average 9.8 hrs) (in those with moderate-level renal impairment).","Description":"Flupirtine is a pyridine derivative that is in clinical use as a nonopioid analgesic. It was approved for the treatment of pain in 1984 in Europe. It is not approved for use in the U.S. or Canada, but is currently in phase II trials for the treatment of fibromyalgia.","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"Investigated for use/treatment in fibromyalgia.","Toxicity":"Oral, mouse: LD50 = 300 mg/kg; Oral, rabbit: LD50 = 3200 mg/kg; Oral, rat: LD50 = 980 mg/kg.","MechanismOfAction":"Flupirtine upregulates Bcl-2, increases glutathione levels, activates an inwardly rectifying potassium channel, and delays loss of intermitochondrial membrane calcium retention capacity. Flupirtine acts like a NMDA receptor antagonists, but does not bind to the receptor. One study concluded that the discriminative effects of flupirtine are neither of opioid nor of alpha-1 adrenergic type, but are primarily mediated through alpha-2 adrenergic mechanisms [PMID: 2901483].","Pharmacodynamics":"","Absorption":"Bioavailability: 90% (oral), 70% (rectal)","Interactions":null,"Salts":[{"ID":"DBSALT000912","Name":"Flupirtine maleate"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06626","Name":"Axitinib","DrugType":"small molecule","HalfLife":"Axitinib has a half life of 2.5 to 6.1 hours.","Description":"Axitinib is an oral, potent, and selective inhibitor of vascular endothelial growth factor receptors (VEGFR) 1, 2, and 3. Axitinib is marketed under the name Inlyta®, and if one previous systemic therapy for kidney cell cancer has failed, axitinib is indicated. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in kidney cell cancer and investigated for use/treatment in pancreatic and thyroid cancer.","Toxicity":"Some of the more serious toxic effects seen in patients taking axitinib include, but are not limited to, hypertension, thrombotic events, hemorrhage, and GI perforation.","MechanismOfAction":"Axitinib selectively blocks the tyrosine kinase receptors VEGFR-1 (vascular endothelial growth factor receptor), VEGFR-2, and VEGFR-3.","Pharmacodynamics":"Axitinib prevents the progression of cancer by inhibiting angiogenesis and blocking tumor growth.","Absorption":"After one 5 mg dose of axitinib, it takes about 2.5 to 4.1 hours to reach maximum plasma concentration.\r\n\r\n","Interactions":[{"ID":"DB00349"},{"ID":"DB06414"},{"ID":"DB01229"},{"ID":"DB08883"},{"ID":"DB00252"},{"ID":"DB01323"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06637","Name":"Dalfampridine","DrugType":"small molecule","HalfLife":"Immediate release form = 3.5 hours;\r\nExtended release form = 5.47 hours; ","Description":"Dalfampridine is a potassium channel blocker used to help multiple sclerosis patients walk. This is the first drug that was specifically approved to help with mobility in these patients. FDA approved on January 22, 2010. ","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"Dalfampridine is a neurofunctional modifier that helps improve walking speed in patients with multiple sclerosis (MS). ","Toxicity":"LD50, oral, mouse = 19 mg/kg\r\nLD50, oral, rat = 21 mg/kg ","MechanismOfAction":"In MS, axons are progressively demyelinated which exposes potassium channels. As a result, there is a leak of potassium ions which results in the repolarization of cells and a decrease in neuronal excitability. The overall impact is the impairment of neuromuscular transmission as it is harder to trigger an action potential. \r\nDalfampridine inhibits voltage-gated potassium channels in the CNS to maintain the transmembrane potential and prolong action potential. In other words, dalfampridine works to make sure that the current available is high enough to stimulate conduction in demyelinated axons that are exposed in MS patients. Furthermore, it facilitates neuromuscular and synaptic transmission by relieving conduction blocks in demyelinated axons. ","Pharmacodynamics":"Dalfampridine is a board-spectrum lipophillic potassium channel blocker and binds favourably to the open state than closed state of the potassium channel in the CNS. Its pharmacological target are the potassium channels exposed in MS patients. Does not prolong the QTc interval. ","Absorption":"Orally-administered dalfampridine is rapidly and completely absorbed from the gastrointestinal tract. \r\nTmax, immediate release form = 1 hour;\r\nTmax, extended release form = 3.5 hours;\r\nCmax, 10 mg extended release = 17.3 - 21.6 ng/mL; \r\nRelative bioavailability of 10 mg extended-release tablets compared to aqueous oral solution = 96%","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06643","Name":"Denosumab","DrugType":"biotech","HalfLife":"25.4 days ","Description":"Denosumab is a novel, fully human IgG2 monoclonal antibody specific to receptor activator of nuclear factor kappa-B ligand (RANKL), suppresses bone resorption markers in patients with a variety of metastatic tumors and is being investigated in multiple clinical trials for the prevention and treatment of bone metastases. Chemically, it consists of 2 heavy and 2 light chains. Each light chain consists of 215 amino acids. Each heavy chain consists of 448 amino acids with 4 intramolecular disulfides. FDA approved on June 1, 2010. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Prolia is indicated for the treatment of postmenopausal women with osteoporosis at high risk for fracture. It reduces the incidence of vertebral, nonvertebral, and hip fractures. Prolia is also indicated as a treatment to increase bone mass in women at high risk for fracture receiving adjuvant aromatase inhibitor therapy for breast cancer. It can also be used in men with osteoporosis at high risk for fracture or in men receiving androgen deprivation therapy for nonmetastatic prostate cancer to increase bone mass. Xgeva is indicated for the prevention of skeletal-related events in patients with bone metastases from solid tumors.","Toxicity":"In patients with postmenopausal osteoporosis, the most common adverse reactions (\u003e 5% and more common than placebo) were: back pain, pain in extremity, hypercholesterolemia, musculoskeletal pain, and cystitis. Pancreatitis has been reported in clinical trials. In male patients with osteoporosis, the most common adverse reactions (\u003e 5% and more common than placebo) were: back pain, arthralgia, and nasopharyngitis. In patients experiencing bone loss due to hormone ablation for cancer, the most common adverse reactions (≥ 10% and more common than placebo) were: arthralgia and back pain. Pain in extremity and musculoskeletal pain have also been reported in clinical trials","MechanismOfAction":"Denosumab is designed to target RANKL (RANK ligand), a protein that acts as the primary signal to promote bone removal/resorption. In many bone loss conditions, RANKL overwhelms the body's natural defense against bone destruction. Denosumab prevents RANKL from activating its receptor, RANK, on the surface of osteoclasts and their precursors. Prevention of the RANKL/RANK interaction inhibits osteoclast formation, function, and survival, thereby decreasing bone resorption and increasing bone mass and strength in both cortical and trabecular bone.","Pharmacodynamics":"In clinical studies, treatment with 60 mg of Prolia resulted in reduction in the bone resorption marker serum type 1 C-telopeptide (CTX) by approximately 85% by 3 days. Consistent with the physiological coupling of bone formation and resorption in skeletal remodeling, subsequent reductions in bone formation markers (i.e. osteocalcin and procollagen type 1 N-terminal peptide [PlNP]) were observed starting 1 month after the first dose of Prolia.","Absorption":"When 60 mg of denosumab was subcutaneously administered to healthy subjects after fasting for 12 hours, the pharmacokinetic parameters are as follows:\r\nCmax = 6.75 mcg/mL;\r\nTmax= 10 days (range of 3 to 21 days);\r\nAUC (0-16 weeks) = 316 mcg•day/mL. \r\nDenosumab does not accumulate following multiple doses once every 6 months. The pharmacokinetics of denosumab were not affected by the formation of antibodies. ","Interactions":[{"ID":"DB01281"},{"ID":"DB00098"},{"ID":"DB06681"},{"ID":"DB08879"},{"ID":"DB00005"},{"ID":"DB00056"},{"ID":"DB05259"},{"ID":"DB00078"},{"ID":"DB00065"},{"ID":"DB08935"},{"ID":"DB00043"},{"ID":"DB00059"},{"ID":"DB06813"},{"ID":"DB06372"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06655","Name":"Liraglutide","DrugType":"biotech","HalfLife":"approximately 13 hours.","Description":"Victoza contains liraglutide, an analog of human GLP-1 and acts as a GLP-1 receptor agonist. The peptide precursor of liraglutide, produced by a process that includes expression of recombinant DNA in Saccharomyces cerevisiae, has been engineered to be 97% homologous to native human GLP-1 by substituting arginine for lysine at position 34. Liraglutide is made by attaching a C-16 fatty acid (palmitic acid) with a glutamic acid spacer on the remaining lysine residue at position 26 of the peptide precursor.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For use in/treatment of diabetes mellitus type 2.","Toxicity":"In a clinical trial, one patient with type 2 diabetes experienced a single overdose of Victoza 17.4 mg subcutaneous (10 times the maximum recommended dose). Effects of the overdose included severe nausea and vomiting requiring hospitalization. No hypoglycemia was reported. The patient recovered without complications. In the event of overdosage, appropriate supportive treatment should be initiated according to the patient’s clinical signs and symptoms.\r\n\r\nRISK OF THYROID C-CELL TUMORS","MechanismOfAction":"Liraglutide is an acylated GLP-1 (Glucagon-Like Peptide-1) receptor agonist. Liraglutide upregulates intracellular cAMP resulting in the release of insulin given elevated blood glucose concentrations. Glucagon secretion is also decreased in a glucose-dependent fashion by liraglutide. ","Pharmacodynamics":"Liraglutide is a once-daily GLP-1 derivative for the treatment of type 2 diabetes. GLP-1, in its natural form, is short-lived in the body (the half-life after subcutaneous injection is approximately one hour), so it is not very useful as a therapeutic agent. However, liraglutide has a half-life after subcutaneous injection of 11–15 hours, making it suitable for once-daily dosing. The prolonged action of liraglutide is achieved by attaching a fatty acid molecule at one position of the GLP-1 molecule, enabling it to bind to albumin within the subcutaneous tissue and bloodstream. The active GLP-1 is then released from albumin at a slow, consistent rate. Binding with albumin also results in slower degradation and reduced elimination of liraglutide from the circulation by the kidneys compared to GLP-1.","Absorption":"Maximum concentrations of liraglutide are achieved at 8-12 hours after dose. \r\nThe mean peak and total exposures of liraglutide were 35 ng/mL and 960 ng·h/mL, respectively, for a subQ single dose of 0.6 mg. \r\nAfter subcutaneous single dose administrations, Cmax and AUC of liraglutide increased proportionally over the therapeutic dose range of 0.6 mg to 1.8 mg. At 1.8 mg Victoza, the average steady state concentration of liraglutide over 24 hours was approximately 128 ng/mL.\r\nAUC0-∞ was equivalent between upper arm and abdomen, and between upper arm and thigh. AUC0-∞ from thigh was 22% lower than that from abdomen. \r\nAbsolute bioavailability of liraglutide following subcutaneous administration is approximately 55%.","Interactions":[{"ID":"DB00316"},{"ID":"DB01076"},{"ID":"DB08822"},{"ID":"DB00390"},{"ID":"DB00400"},{"ID":"DB00030"},{"ID":"DB00052"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06663","Name":"Pasireotide","DrugType":"small molecule","HalfLife":"The half-life is 12 hours.","Description":"Pasireotide is a synthetic long-acting cyclic hexapeptide with somatostatin-like activity. It is marketed as a diaspartate salt called Signifor®, which is used in the treatment of Cushing's disease.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of Cushing’s disease, specifically for those patients whom pituitary surgery has not been curative or is not an option.","Toxicity":"The most common toxic effects observed are hyperglycemia, cholelithiasis, diarrhea, nausea, headache, abdominal pain, fatigue, and diabetes mellitus.","MechanismOfAction":"Pasireotide activates a broad spectrum of somatostatin receptors, exhbiting a much higher binding affinity for somatostatin receptors 1, 3, and 5 than octreotide in vitro, as well as a comparable binding affinity for somatostatin receptor 2. The binding and activation of the somatostatin receptors causes inhibition of ACTH secretion and results in reduced cortisol secretion in Cushing's disease patients. Also this agent is more potent than somatostatin in inhibiting the release of human growth hormone (HGH), glucagon, and insulin. ","Pharmacodynamics":"Signifor® is an analogue of somatostatin that promotes reduced levels of cortisol secretion in Cushing's disease patients.","Absorption":"The peak plasma concentration of pasireotide occurs in 0.25-0.5 hours. After administration of single and multiple doses, there is dose-proportionoal increases in Cmax and AUC.","Interactions":[{"ID":"DB00834"}],"Salts":[{"ID":"DBSALT000134","Name":"Pasireotide diaspartate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06674","Name":"golimumab","DrugType":"biotech","HalfLife":"Golimumab has a long half-life of about 2 weeks.","Description":"Golimumab is a human IgG1қ monoclonal antibody derived from immunizing genetically engineered mice with human TNFα. Golimumab binds and inhibits soluble and transmembrane human TNFα. Increased TNFα is associated with chronic inflammation. Thus golimumab is indicated for use in adults (i) as an adjunct to methotrexate treatment in patients with moderate to severe active rheumatoid arthritis (RA), (ii) alone or as an adjunct to methotrexate treatment in patients with active psoriatic arthritis (PsA), (iii) as a single agent in patients with active ankylosing spondylitis (AS), and (iv) as a single agent in patients with moderate to severe ulcerative colitis (UC) who require chronic steroids or have experienced intolerance or only a partial response to previous medications. In the U.S. and Canada, golimumab is marketed under the brand name Simponi®. The FDA label includes a black box warning of serious infections and malignancy. Additionally in children and adolescents taking golimumab, there have been lymphoma and other malignancies observed.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used in adults (i) as an adjunct to methotrexate treatment in patients with moderate to severe active rheumatoid arthritis (RA), (ii) alone or as an adjunct to methotrexate treatment in patients with active psoriatic arthritis (PsA), (iii) as a single agent in patients with active ankylosing spondylitis (AS), and (iv) as a single agent in patients with moderate to severe ulcerative colitis (UC) who require chronic steroids or have experienced intolerance or only a partial response to previous medications.\r\n\r\n","Toxicity":"The FDA label includes a black box warning of serious infections and malignancy. Specifically there have been hospitalizations or death from infections such as bacterial sepsis, tuberculosis (TB), and invasive fungal (histoplasmosis) and other opportunistic infections. Additionally in children and adolescents taking golimumab, there have been lymphoma and other malignancies observed.\r\n","MechanismOfAction":"As a human monoclonal antibody, golimumab binds and inhibits soluble and transmembrane human TNFα. Inhibition of TNFα prevents it binding to its receptors, which prevents both leukocyte infiltration through prevention of cell adhesion proteins such as E-selectin, ICAM-1 and VCAM-1, and pro-inflammatory cytokine secretion such as IL-6, IL-8, G-CSF and GM-CSF in vitro. Consequently, in patients with chronic inflammatory conditions, decreases in ICAM-1 and IL-6 as well as C-reactive protein (CRP), matrix metalloproteinase 3 (MMP-3), and vascular endothelial growth factor (VEGF) were observed.\r\n \r\n\r\n \r\n\r\n ","Pharmacodynamics":"Golimumab inhibits the activity of the cytokine, tumor necrosis factor alpha (TNFα). In areas such as the joints and blood, increased TNFα is associated with chronic inflammation seen in patients with rheumatoid arthritis, psoriatic arthritis, and ankylosing spondylitis. Thus golimumab decreases the inflammation in these conditions. Concerning ulcerative colitis, the physiological effects of golimumab has yet to be determined.\r\n\r\n ","Absorption":"After subcutaneous administration, golimumab can achieve \r\nmaximum serum concentrations in 2 to 6 days and has an approximate bioavailability of 53%. In healthy volunteers, the maximum average concentration reached was 3.2 ± 1.4 μg/mL. ","Interactions":[{"ID":"DB01281"},{"ID":"DB00026"},{"ID":"DB08879"},{"ID":"DB06168"},{"ID":"DB08904"},{"ID":"DB00065"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB06372"},{"ID":"DB06372"},{"ID":"DB00864"},{"ID":"DB06273"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06681","Name":"Belatacept","DrugType":"biotech","HalfLife":"Mean terminal elimination half-life:\r\n10 mg/kg, kidney transplant recipients= 9.8 days; \r\n5 mg/kg, kidney transplant recipient = 8.2 days ","Description":"Belatacept is a soluble fusion protein, which links the extracellular domain of human cytotoxic T-lymphocyte-associated antigen 4 (CTLA-4) to the modified Fc (hinge, CH2, and CH3 domains) portion of human immunoglobulin G1 (IgG1). Structurally, abatacept is a glycosylated fusion protein with a MALDI-MS molecular weight of 92,300 Da and it is a homodimer of two homologous polypeptide chains of 357 amino acids each. It is produced through recombinant DNA technology in mammalian CHO cells. The drug has activity as a selective co-stimulation modulator with inhibitory activity on T lymphocytes. It is approved for the treatment of rheumatoid arthritis. Belatacept selectively blocks the process of T-cell activation. It was developed by Bristol-Myers-Squibb. It differs from abatacept (Orencia) by only 2 amino acids. FDA approved on June 15, 2011.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For prophylaxis of organ rejection. It is also used concomitantly with basiliximumab for induction therapy, mycophenolate, and corticosteriods in kidney transplant recepients that are seropositive for the Epstein-Barr virus. ","Toxicity":"","MechanismOfAction":"Belatacept is a fusion protein in which the Fc portion of human IgG1 is attached onto the extracellular portion of human CTLA-4 (CD152). Belatacept specifically binds to CD80 and CD86 receptors that are found on the antigen-presenting cell (B cells, macrophages, dendritic cells) to block selective T-cell lymphocyte costimulation. CD80 and CD86 would normally act as the ligands to the CD28 receptor T-cells in which this interaction triggers the activation of T lymphocytes. However in the presence of belatacept, because the extracellular CTLA-4 component binds to CD28 with higher affinity than CD80 or CD86, T lymphyocyte anergy, a state of antigen specific tolerance, occurs instead. The T cell is also no longer able to respond to their antigen. ","Pharmacodynamics":"Belatacept binds to CD86 with a 4-fold higher affinity than abatacept. It also binds to CD80 with a 2-fold higher affinity than abatacept. It was observed in non-human primates that belatacept prolongs graft survival due to a decrease in antibody production against the donor organ. Furthermore, belatacept also inhibits the primary humoral immune response which is indicated by the decrease in post-transplant levels of IgG, IgM, and IgA. The magnitude of this effect is more significant in belatacept than it is in cyclosporine. ","Absorption":"Following multiple intravenous doses of an initial 10 mg/kg dose and followed by a maintenance dose of 5 mg/kg in kidney transplant recipients, these are the following pharmacokinetic parameters:\r\nCmax, 10 mg/kg = 247 µg/mL; \r\nCmax, 5 mg/kg = 139 µg/mL;\r\nAUC, 10 mg/kg = 22,252 µg · h/mL; \r\nAUC, 5 mg/kg = 14,090 µg · h/mL; \r\nBelatacept had linear and dose-dependent pharmacokinetic profile. ","Interactions":[{"ID":"DB08879"},{"ID":"DB06643"},{"ID":"DB01097"},{"ID":"DB00688"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB06813"},{"ID":"DB06372"},{"ID":"DB06372"},{"ID":"DB06372"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06684","Name":"Vilazodone","DrugType":"small molecule","HalfLife":"25.4h","Description":"Vilazodone is a novel compound with combined high affinity and selectivity for the 5-hydroxytryptamine (5-HT) transporter and 5-HT(1A) receptors. It has been shown to be equally efficacious as other antidepressants with similar gastrointestinal side effects and possibly with reduced sexual side effects and weight gain. Vilazodone is an antidepressant agent that can used as an alternative for patients who cannot tolerate therapy with other antidepressant classes such as selective serotonin reuptake inhibitors or serotonin norepinephrine reuptake inhibitors. Treatment should be titrated towards the target dose, which is 40mg per day.","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"Vilazodone is approved for treatment of acute episodes of major depression. Labeling of vilazodone describes an increased risk of suicidal thoughts in children, adolescents and young adults. The use of vilazodone in pediatrics is not indicated. Its use with monoamine oxidase inhibitors (MAOI) is contraindicated due to increased risk of serotonin syndome. Once the MAOI is discontinued, a 14-day washout period must pass before starting vilazodone.","Toxicity":"Vomiting, serotonin syndrome.","MechanismOfAction":"Since serotonin is believed to be one of the three main neurotransmitters that is low or imbalanced in patients with depression- pathways seeking to increase serotonin levels are targeted by pharmaceutical companies. As a selective serotonin reuptake inhibitor, vilazodone prevents serotonin from re-entering cell bodies. Hence, they will remain longer in the synapse. Vilazodone also has an inherent selectivity for serotonin-1A receptors, acting as a partial agonist which stimulates the production of serotonin. The end result is increased serotonin in the synaptic cleft, allowing serotonin to resume its action on nearby cells. The mechanism of the antidepressant effect of vilazodone is not fully understood, but is thought to be related to its enhancement of serotonergic activity in the CNS through selective inhibition of serotonin reuptake.","Pharmacodynamics":"Vilazodone increases serotonin levels in the brain by inhibiting the reuptake of serotonin while acting as a partial agonist on serotonin-1A receptors. It has therefore been coined by scientists as a selective partial agonist and reuptake inhibitor (SPARI). Because of its partial agonist activity for serotonin-1A, vilazodone helps to reduce anxiety.","Absorption":"Vilazodone's absorption is improved when taken with food to 72%.","Interactions":[{"ID":"DB00321"},{"ID":"DB01072"},{"ID":"DB00564"},{"ID":"DB00482"},{"ID":"DB00501"},{"ID":"DB01211"},{"ID":"DB00363"},{"ID":"DB00872"},{"ID":"DB01151"},{"ID":"DB00514"},{"ID":"DB00586"},{"ID":"DB00055"},{"ID":"DB01050"},{"ID":"DB01247"},{"ID":"DB01026"},{"ID":"DB00465"},{"ID":"DB00150"},{"ID":"DB00601"},{"ID":"DB01233"},{"ID":"DB00379"},{"ID":"DB00788"},{"ID":"DB00952"},{"ID":"DB00540"},{"ID":"DB00780"},{"ID":"DB00554"},{"ID":"DB00908"},{"ID":"DB01037"},{"ID":"DB01105"},{"ID":"DB00669"},{"ID":"DB00679"},{"ID":"DB00752"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000187","Name":"Vilazodone hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06689","Name":"Ethanolamine Oleate","DrugType":"small molecule","HalfLife":"","Description":"Ethanolamine Oleate is a mild sclerosing agent. It is composed of ethanolamine, a basic substance, which when combined with oleic acid forms a clear, straw to pale yellow colored, deliquescent oleate.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of patients with esophageal varices that have recently bled, to prevent rebleeding.","Toxicity":"The minimum lethal dose administered intravenously to rabbits is 130 mg/kg. Overdosage can result in severe intramural necrosis of the esophagus. Complications resulting from such overdosage have resulted in death. LD50 (intravenous) in rats is 156 mg/kg. LD50 (intravenous) in dogs is 175 mg/kg.","MechanismOfAction":"The oleic acid component of ethanolamine oleate is responsible for the inflammatory response, and may also activate coagulation in vivo by release of tissue factor and activation of Hageman factor. The ethanolamine component, however, may inhibit fibrin clot formation by chelating calcium, so that a procoagulant action of ethanolamine oleate has not been demonstrated.","Pharmacodynamics":"When injected intravenously, ethanolamine oleate acts primarily by irritation of the intimal endothelium of the vein and produces a sterile dose-related inflammatory response. This results in fibrosis and possible occlusion of the vein. Ethanolamine oleate also rapidly diffuses through the venous wall and produces a dose-related extravascular inflammatory reaction.","Absorption":"After injection into an esophageal varix, ethanolamine oleate is cleared from the injection site within five minutes via the portal vein. Some of the medication also flows into the azygos vein through the periesophageal vein if more than 20 mL is injected.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06691","Name":"Mepyramine","DrugType":"small molecule","HalfLife":"","Description":"Mepyramine (also known as pyrilamine) is a first generation antihistamine, targeting the H1 receptor. However, it rapidly permeates the brain and so often causes drowsiness as a side effect.\r\nIt is used in over-the-counter combination products for colds and menstrual symptoms.","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Mepyramine is a first generation antihistamine used in treating allergies, ymptomatic relief of hypersensitivity reaction, and in pruritic skin disorders.","Toxicity":"The signs and symptoms that are produced after the acute overdosage of Mepyramine include Convulsions, Coma, Ataxia, Hyperpyrexia, Tremor, Extrapyramidal effects, Excitement.","MechanismOfAction":"Mepyramine is a histamine H1 receptor inverse agonist. It binds to a G protein-coupled form of the receptor and promotes a G protein-coupled inactive state of the H1 receptor that interferes with the Gq/11-mediated signaling. Mepyramine competes with histamine for binding at H\u003csub\u003e1\u003c/sub\u003e-receptor sites on the effector cell surface, resulting in suppression of histaminic edema, flare, and pruritus. The sedative properties of Mepyramine occur at the subcortical level of the CNS.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06692","Name":"Aprotinin","DrugType":"biotech","HalfLife":"Following this distribution phase, a plasma half-life of about 150 minutes is observed. At later time points, (i.e., beyond 5 hours after dosing) there is a terminal elimination phase with a half-life of about 10 hours.","Description":"Aprotinin, also known as bovine pancreatic trypsin inhibitor, BPTI (Trasylol, Bayer) is a protein, that is used as medication administered by injection to reduce bleeding during complex surgery, such as heart and liver surgery. Its main effect is the slowing down of fibrinolysis, the process that leads to the breakdown of blood clots. The aim in its use is to decrease the need for blood transfusions during surgery, as well as end-organ damage due to hypotension (low blood pressure) as a result of marked blood loss. The drug was temporarily withdrawn worldwide in 2007 after studies suggested that its use increased the risk of complications or death; after this was confirmed by follow-up studies, Trasylol was entirely and permanently withdrawn in May 2008, except - at least for the time being - for very restricted research use. [Wikipedia]","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For prophylactic use to reduce perioperative blood loss and the need for blood transfusion in patients undergoing cardiopulmonary bypass in the course of coronary artery bypass graft surgery who are at an increased risk for blood loss and blood transfusion.","Toxicity":"","MechanismOfAction":"Aprotinin inhibits several serine proteases, specifically trypsin, chymotrypsin and plasmin at a concentration of about 125,000 IU/ml, and kallikrein at 300,000 IU/ml. Its action on kallikrein leads to the inhibition of the formation of factor XIIa. As a result, both the intrinsic pathway of coagulation and fibrinolysis are inhibited. Its action on plasmin independently slows fibrinolysis.","Pharmacodynamics":"Aprotinin is a broad spectrum protease inhibitor which modulates the systemic inflammatory response (SIR) associated with cardiopulmonary bypass (CPB) surgery. SIR results in the interrelated activation of the hemostatic, fibrinolytic, cellular and humoral inflammatory systems. Aprotinin, through its inhibition of multiple mediators [e.g., kallikrein, plasmin] results in the attenuation of inflammatory responses, fibrinolysis, and thrombin generation. Aprotinin inhibits pro-inflammatory cytokine release and maintains glycoprotein homeostasis. In platelets, aprotinin reduces glycoprotein loss (e.g., GpIb, GpIIb/IIIa), while in granulocytes it prevents the expression of pro-inflammatory adhesive glycoproteins (e.g., CD11b). The effects of aprotinin use in CPB involves a reduction in inflammatory response which translates into a decreased need for allogeneic blood transfusions, reduced bleeding, and decreased mediastinal re-exploration for bleeding.","Absorption":"100% (IV)","Interactions":[{"ID":"DB01197"},{"ID":"DB01109"},{"ID":"DB00031"},{"ID":"DB00013"}],"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":[{"ID":"SMP00288","Drugs":["DB01373","DB06692"]}]},{"ID":"DB06693","Name":"Mevastatin","DrugType":"small molecule","HalfLife":"","Description":"Mevastatin or compactin is a cholesterol-lowering agent isolated from \u003ci\u003ePenicillium citinium\u003c/i\u003e. It was the first discovered agent belonging to the class of cholesterol-lowering medications known as statins. During a search for antibiotic compounds produced by fungi in 1971, Akira Endo at Sankyo Co. (Japan) discovered a class of compounds that appeared to lower plasma cholesterol levels. Two years later, the research group isolated a compound structurally similar to hydroxymethylglutarate (HMG) that inhibited the incorporation of acetate. The compound was proposed to bind to the reductase enzyme and was named compactin. Mevastatin is a competitive inhibitor of HMG-Coenzyme A (HMG-CoA) reductase with a binding affinity 10,000 times greater than the HMG-CoA substrate itself. Mevastatin is a pro-drug that is activated by \u003ci\u003ein vivo\u003c/i\u003e hydrolysis of the lactone ring. It has served as one of the lead compounds for the development of the synthetic compounds used today.","Classification":{"Description":"This compound belongs to the carbocyclic fatty acids. These are fatty acids contaning a carbocylic ring .","DirectParent":"Carbocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Carbocyclic Fatty Acids"},"Indication":"Not used therapeutically due to its many side effects. ","Toxicity":"Side effects include those of other statins, such as myalgias, abdominal pain, nausea. It also has a higher chance of giving more severe side effects related to myotoxicity (myopathy, myositis, rhabdomyolysis), and hepatotoxicity, than other statins. Due to these major side effects and their enhanced rate of occurance, Mevastatin is not given therapeutically.","MechanismOfAction":"Mevastatin is structurally similar to the HMG, a substituent of the endogenous substrate of HMG-CoA reductase. Mevastatin is a prodrug that is activated \u003ci\u003ein vivo\u003c/i\u003e via hydrolysis of the lactone ring. The hydrolyzed lactone ring mimics the tetrahedral intermediate produced by the reductase allowing the agent to bind with 10,000 times greater affinity than its natural substrate. The bicyclic portion of mevastatin binds to the coenzyme A portion of the active site. ","Pharmacodynamics":"The primary cause of cardiovascular disease is atherosclerotic plaque formation. Sustained elevations of cholesterol in the blood increase the risk of cardiovascular disease. Mevastatin lowers hepatic production of cholesterol by competitively inhibiting HMG-CoA reductase, the enzyme that catalyzes the rate-limiting step in the cholesterol biosynthesis pathway via the mevalonic acid pathway. Decreased hepatic cholesterol levels causes increased uptake of low density lipoprotein (LDL) cholesterol and reduces cholesterol levels in the circulation. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06694","Name":"Xylometazoline","DrugType":"small molecule","HalfLife":"","Description":"A nasal vasoconstricting decongestant drug which acts by binding to the same receptors as adrenaline. It is applied as a spray or as drops into the nose to ease inflammation and congestion of the nasal passageways. It binds alpha-adrenergic receptors to activate the adrenal system which causes systemic vasoconstriction, thereby easing nasal congestion.","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"It is used for treating nasal congestion and minor inflammation due to allergies or colds.","Toxicity":"","MechanismOfAction":"Xylometazoline is a direct acting sympathomimetic drug, which acts on alpha-adrenergic receptors in the arterioles of the nasal mucosa. This activates the adrenal system to yield systemic vasoconstrction. In producing vasoconstriction, the result is a decrease in blood flow in the nasal passages and consequently decreased nasal congestion. ","Pharmacodynamics":"Xylometazoline is a direct acting sympathomimetic adrenergic alpha-agonist used to induce systemic vasoconstriction, thereby decreasing nasal congestion. The sympathomimetic action of xylometazoline constricts the smaller arterioles of the nasal passages, producing a prolonged (8-12 hours) decongesting effect.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06695","Name":"Dabigatran etexilate","DrugType":"small molecule","HalfLife":"12-14 hours in healthy volunteers. 14-17 hours in patients treated for prevention of venous thromboembolism following hip- or knee-replacement surgery. ","Description":"Dabigatran etexilate is an oral prodrug that is metabolized by a serum esterase to dabigatran. It is a synthetic, competitive and reversible direct thrombin inhibitor. Inhibition of thrombin disrupts the coagulation cascade and inhibits the formation of clots. Dabigatran etexilate may be used to decrease the risk of venous thromboembolic events in patients who have undergone total hip or knee replacement surgery, or to prevent stroke and systemic embolism in patients with atrial fibrillation, in whom anticoagulation therapy is indicated. In contrast to warfarin, because its anticoagulant effects are predictable, lab monitoring is not necessary. FDA approved on October 19, 2010. ","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"Dabigatran is indicated for the prevention of venous thromboembolic events in patients who have undergone elective hip or knee replacement surgery (based on RE-NOVATE, RE-MODEL, and RE-MOBILIZE trials). In 2010, it was approved in the US and Canada for prevention of stroke and systemic embolism in patients with atrial fibrillation (approval based on the RE-LY trial). Contraindications: severe renal impairment (CrCL \u003c 30 ml/min); haemorrhagic manifestations, bleeding diathesis or spontaneous or pharmacologic impairment of haemostasis; lesions at risk of clinically significant bleeding (e.g. extensive cerebral infarction (haemorrhagic or ischemic) in the last 6 months, active peptic ulcer disease); concomitant treatment with P-glycoprotein inhibitors (e.g. oral ketoconazole, verapamil); and those with known hypersensitivity to dabigatran, dabigatran etexilate or any ingredient used in the formulation or component of the container. As of December 2012, dabigatran is contraindicated in patients with mechanical prosthetic heart valves. ","Toxicity":"The most common adverse reactions include dyspepsia or gastritis-like symptoms. The approximate lethal dose (LD50) in rats and mice was observed at single oral doses of \u003e 2000 mg/kg. Oral doses of 600 mg/kg did not induce any toxicologically meaningful changes in dogs and Rhesus monkeys. Dabigatran was well-tolerated in rats and Rhesus monkeys during repeat-dose toxicity studies. No evidence of mutagenic potential. ","MechanismOfAction":"Dabigatran etexilate is an inactive pro-drug that is converted to dabigatran, the active form, by esterase-catalyzed hydrolysis in the plasma and liver. Dabigatran, the main active principle in plasma, is a rapid-acting competitive and reversible direct inhibitor of thrombin. Thrombin, a serine protease, is responsible for the conversion of fibrinogen to fibrin in the coagulation cascade. Inhibition of thrombin consequently prevents thrombus development. Dabigatran inhibits free thrombin, fibrin-bound thrombin and thrombin-induced platelet aggregation.","Pharmacodynamics":"Dabigatran directly inhibits thrombin in a concentration-dependent, reversible, specific, and competitive manner which results in a prolongation of aPTT (partial thromboplastin time), ECT (Ecarin clotting time), and TT (thrombin time). It may increase INR but this laboratory parameter is relatively insensitive to the activity of dabigatran. ","Absorption":"Peak plasma concentrations were achieved in 6 hours in post surgical patients. In healthy patients, maximum concentrations were achieved in 0.5 to 2 hours. The absolute bioavailability of dabigatran in the body after administration of dabigatran etexilate was 6.5%. Food does not affect the bioavailability of dabigatran etexilate, but it delays the time to peak plasma concentrations by 2 hours. Oral bioavailability may increase by up to 75% when pellets are taken out of the hydroxypropylmethylcellulose (HPMC) capsule. Therefore, capsules should not be opened and pellets taken alone. Furthermore, although absorption of dabigatran etexilate is independent of gastrointestinal acidity, coadministration of pantoprazole (proton pump inhibitor) may reduce the bioavailability of dabigatran. Despite this finding, dose adjustment is not required. ","Interactions":[{"ID":"DB01118"},{"ID":"DB06605"},{"ID":"DB00564"},{"ID":"DB01234"},{"ID":"DB00997"},{"ID":"DB04855"},{"ID":"DB00063"},{"ID":"DB01381"},{"ID":"DB01026"},{"ID":"DB08827"},{"ID":"DB00834"},{"ID":"DB01149"},{"ID":"DB00213"},{"ID":"DB00457"},{"ID":"DB00908"},{"ID":"DB01045"},{"ID":"DB06228"},{"ID":"DB00932"},{"ID":"DB00656"},{"ID":"DB00661"},{"ID":"DB00570"}],"Salts":[{"ID":"DBSALT000035","Name":"Dabigatran etexilate mesilate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06696","Name":"Arbekacin","DrugType":"small molecule","HalfLife":"3 hours","Description":"An semisynthetic aminoglycoside antibiotic. Often used for treatment of multi-resistant bacterial infection such as methicillin-resistant Staphylococcus aureus (MRSA).\r\nAmikacin is also nephrotoxic and ototoxic.","Classification":{"Description":"This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety.","DirectParent":"Aminocyclitol Glycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"Arbekacin is used for the short term treatment of multi-resistant bacterial infections, such as methicillin-resistant \u003ci\u003eStaphylococcus aureus\u003c/i\u003e (MRSA).","Toxicity":"Ototoxicity and nephrotoxicity are the most serious adverse effects of aminoglycoside therapy and are more likely to occur in patients with a history of renal impairment or who are receiving other ototoxic and/or nephrotoxic drugs.\r\nNormal duration of IM or IV aminoglycoside therapy is 7-10 days. Although a longer duration may be necessary in some cases, toxicity is more likely to occur when aminoglycoside treatment is continued for longer than 10 days.","MechanismOfAction":"Aminoglycosides, such as Arbekacin, inhibit protein synthesis in susceptible bacteria by irreversibly binding to bacterial 30S and 16S ribosomal subunits. Specifically Arbekacin binds to four nucleotides of 16S rRNA and a single amino acid of protein S12. This interferes with decoding site in the vicinity of nucleotide 1400 in 16S rRNA of 30S subunit. This region interacts with the wobble base in the anticodon of tRNA. This leads to misreading of mRNA so incorrect amino acids are inserted into the polypeptide leading to nonfunctional or toxic peptides and the breakup of polysomes into nonfunctional monosomes.\r\n","Pharmacodynamics":"Aminoglycosides, such as Arbekacin, work by binding to the bacterial 30S ribosomal subunit, causing misreading of t-RNA which consequently, leaves the bacterium unable to synthesize proteins vital to its growth. Energy is needed for aminoglycoside uptake into the bacterial cell. Anaerobes have less energy available for this uptake, so aminoglycosides are less active against anaerobes. Aminoglycosides are useful primarily in infections involving aerobic, gram-negative bacteria, such as Pseudomonas, Acinetobacter, and Enterobacter.","Absorption":"Aminoglycosides are not well absorbed from the gastrointestinal tract. Their absorption is markedly improved by parenteral administration.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00713","Drugs":["DB00117","DB00134","DB00156","DB00160","DB00161","DB00167","DB00172","DB01972","DB02431","DB03685","DB06696"]}]},{"ID":"DB06697","Name":"Artemether","DrugType":"small molecule","HalfLife":"Artemether, 1.6 +/- 0.7 and 2.2 +/- 1.9 hr; Dihydroartemisinin, 1.6 +/- 0.6 and 2.2 +/- 1.5 hr","Description":"Artemether is an antimalarial agent used to treat acute uncomplicated malaria. It is administered in combination with lumefantrine for improved efficacy. This combination therapy exerts its effects against the erythrocytic stages of \u003ci\u003ePlasmodium spp.\u003c/i\u003e and may be used to treat infections caused by \u003ci\u003eP. falciparum\u003c/i\u003e and unidentified \u003ci\u003ePlasmodium\u003c/i\u003e species, including infections acquired in chloroquine-resistant areas. ","Classification":{"Description":"This compound belongs to the artemisins.","DirectParent":"Artemisins","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"Artemether and lumefantrine combination therapy is indicated for the treatment of acute uncomplicated malaria caused by \u003ci\u003ePlasmodium falciparum\u003c/i\u003e, including malaria acquired in chloroquine-resistant areas. May also be used to treat uncomplicated malaria when the \u003ci\u003ePlasmodium\u003c/i\u003e species has not been identified. Indicated for use in adults and children greater than 5 kg. ","Toxicity":"Animal studies on acute toxicity show that the LD50 of Artemether in mice is a single i.g. administration of 895mg/kg and a single i.m. injection of 296mg/kg dose; in rats, the LD50 is a single i.m. injection of 597mg/kg dose.","MechanismOfAction":"Involves an interaction with ferriprotoporphyrin IX (“heme”), or ferrous ions, in the acidic parasite food vacuole, which results in the generation of cytotoxic radical species. \r\n\r\nThe generally accepted mechanism of action of peroxide antimalarials involves interaction of the peroxide-containing drug with heme, a hemoglobin degradation byproduct, derived from proteolysis of hemoglobin. This interaction is believed to result in the formation of a range of potentially toxic oxygen and carbon-centered radicals.","Pharmacodynamics":"In the body, artemether is metabolized into the active metabolite metabolite dihydroartemisinin. The drug works against the erythrocytic stages of \u003ci\u003eP. falciparum\u003c/i\u003e by inhibiting nucleic acid and protein synthesis. Artemether is administered in combination with lumefantrine for improved efficacy. Artemether has a rapid onset of action and is rapidly cleared from the body. It is thought that artemether provides rapid symptomatic relief by reducing the number of malarial parasites. Lumefantrine has a much longer half life and is believed to clear residual parasites. ","Absorption":"Food increases absorption. ","Interactions":[{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00714"},{"ID":"DB01169"},{"ID":"DB06216"},{"ID":"DB00207"},{"ID":"DB01244"},{"ID":"DB00608"},{"ID":"DB00477"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB01211"},{"ID":"DB01242"},{"ID":"DB00872"},{"ID":"DB01254"},{"ID":"DB06699"},{"ID":"DB01151"},{"ID":"DB00304"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB00757"},{"ID":"DB01184"},{"ID":"DB01142"},{"ID":"DB04855"},{"ID":"DB00450"},{"ID":"DB01395"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB00977"},{"ID":"DB00823"},{"ID":"DB00294"},{"ID":"DB06414"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00529"},{"ID":"DB06703"},{"ID":"DB06705"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB01611"},{"ID":"DB00308"},{"ID":"DB04946"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00270"},{"ID":"DB01026"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB00367"},{"ID":"DB00408"},{"ID":"DB00934"},{"ID":"DB00603"},{"ID":"DB00358"},{"ID":"DB00933"},{"ID":"DB01357"},{"ID":"DB00333"},{"ID":"DB01403"},{"ID":"DB00218"},{"ID":"DB04868"},{"ID":"DB06713"},{"ID":"DB00717"},{"ID":"DB01059"},{"ID":"DB00957"},{"ID":"DB00540"},{"ID":"DB00104"},{"ID":"DB06589"},{"ID":"DB00738"},{"ID":"DB00556"},{"ID":"DB01100"},{"ID":"DB01087"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01131"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB00205"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB01045"},{"ID":"DB00734"},{"ID":"DB06176"},{"ID":"DB01232"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00651","Drugs":["DB03435","DB06697"]}]},{"ID":"DB06698","Name":"Betahistine","DrugType":"small molecule","HalfLife":"3-4 hours","Description":"Betahistine is an antivertigo drug first used for treating vertigo assosicated with Ménière's disease. It is also commonly used for patients with balance disorders.","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"For the reduction of episodes of vertigo association with Ménière's disease.","Toxicity":"Symptoms of overdose (\u003c 640 mg) include mild to moderate nausea, dry mouth, dyspepsia, abdominal pain and somnolence. More serious complications such as convulsions, pulmonary or cardiac complications, may occur with higher intentional overdoses (\u003e 640 mg). ","MechanismOfAction":"","Pharmacodynamics":"Betahistine primarily acts as a histamine H1-agonist with 0.07 times the activity of histamine. Stimulating the H1-receptors in the inner ear causes a vasodilatory effect and increased permeability in the blood vessels which results in reduced endolymphatic pressure. Betahistine is believed to act by reducing the asymmetrical functioning of sensory vestibular organs as well as by increasing vestibulocochlear blood flow. Doing so aids in decreasing symptoms of vertigo and balance disorders.\r\nBetahistine also acts as a histamine H3-receptor antagonist which causes an increased output of histamine from histaminergic nerve endings which can further increase the direct H1-agonist activity. Furthermore, H3-receptor antagonism increases the levels of neurotransmitters such as serotonin in the brainstem, which inhibits the activity of vestibular nuclei, helping to restore proper balance and decrease in vertigo symptoms.","Absorption":"When given orally, betahistine is rapidly absorbed from the gastrointestinal tract.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06699","Name":"Degarelix","DrugType":"small molecule","HalfLife":"Terminal half-life: 41.5 - 70.2 days; \r\nAbsorption half-life: 32.9 hours; \r\nHalf-life from injection site: 1.17 days. ","Description":"Degarelix is used for the treatment of advanced prostate cancer. Degarelix is a synthetic peptide derivative drug which binds to gonadotropin-releasing hormone (GnRH) receptors in the pituitary gland and blocks interaction with GnRH. This antagonism reduces luteinising hormone (LH) and follicle-stimulating hormone (FSH) which ultimately causes testosterone suppression. Reduction in testosterone is important in treating men with advanced prostate cancer. Chemically, it is a synthetic linear decapeptide amide with seven unnatural amino acids, five of which are D-amino acids. FDA approved on December 24, 2008. ","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Degaralix is used for the management of advanced prostate cancer. ","Toxicity":"The most commonly observed adverse reactions (\u003e 10%) during degarelix therapy included injection site reactions (e.g., pain, erythema, swelling, or induration), hot flashes, increased weight, and increases in serum levels of transaminases and gamma-glutamyltransferase (GGT).","MechanismOfAction":"GnRH antagonists compete with natural GnRH for binding to GnRH receptors in the pituitary gland. This reversible blinding blocks the release of LH and FSH from the pituitary. The reduction in LH subsequently leads to a rapid and sustained suppression of testosterone release from the testes and subsequently reduces the size and growth of the prostate cancer.","Pharmacodynamics":"Degarelix is a synthetic derivative of GnRH decapeptide, the ligand of the GnRH receptor. Gonadotropin and androgen production result from the binding of endogenous GnRH to the GnRH receptor. Degarelix antagonizes the GnRH receptor which in turn blocks the release of LH and FSH from the pituitary. LF and FSH decreases in a concentration-dependent manner. The reduction in LH leads to a decrease in testosterone release from the testes. ","Absorption":"Degarelix forms a depot at the site of injection after subcutaneous administration from which the drug slowly released into circulation. After a single bolus dose of 2mg/kg, peak plasma concentrations of degarelix occured within 6 hours at a concentration of 330 ng/mL. \r\nKi = 0.082 ng/mL and 93% of receptors were fully suppressed; \r\nMRT = 4.5 days. ","Interactions":[{"ID":"DB06697"},{"ID":"DB00834"}],"Salts":[{"ID":"DBSALT000037","Name":"Degarelix Acetate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06700","Name":"Desvenlafaxine","DrugType":"small molecule","HalfLife":"The mean terminal half life is 11.1 hours and may be prolonged in patients with renal and/or moderate to severe hepatic impairment.","Description":"Desvenlafaxine (O-desmethylvenlafaxine) the major active metabolite of venlafaxine, is an antidepressant from the serotonin-norepinephrine reuptake inhibitor (SNRI class). Desvenlafaxine may be used to treat major depressive disorder and is being studied for use in the management of vasomotor symptoms in postmenopausal women. It is formulated as an extended release tablet. FDA approved in 2008. ","Classification":{"Description":"This compound belongs to the tyrosols and derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.","DirectParent":"Tyrosols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"Desvenlafaxine is indicated for the treatment of major depressive disorder in adults.","Toxicity":"The safety and tolerability of desvenlafaxine is similar to other SNRIs. Common side effects upon initiation or dose increase include increased blood pressure and heart rate, agitation, tremor, sweating, nausea, headache, and sleep disturbances. May cause sexual dysfunction and weight loss in some patients. May cause increases in fasting serum total cholesterol, LDL cholesterol, and triglycerides. Withdrawal effects may occur and thus, the dose of desvenlafaxine should be titrated down prior to discontinuation. ","MechanismOfAction":"Desvenlafaxine, the major active metabolite of venlafaxine, is a selective serotonin and norepinephrine reuptake inhibitor. The clinical effect of desvenlafaxine is thought to occur via potentiation of serotonin and norepinephrine in the central nervous system. Unlike venlafaxine, desvenlafaxine is thought to have a differential serotonergic and noradrenergic activity profile. ","Pharmacodynamics":"Desvenlafaxine is a selective serotonin and norepinephrine reuptake inhibitor. It lacks significant activity on muscarinic-cholinergic, H\u003csub\u003e1\u003c/sub\u003e-histaminergic, or \u0026alpha;\u003csub\u003e1\u003c/sub\u003e-adrenergic receptors \u003ci\u003ein vitro\u003c/i\u003e. Desvenlafaxine does not appear to exert activity against calcium, chloride, potassium and sodium ion channels and also lacks monoamine oxidase (MAO) inhibitory activity. It was also shown to lack significant activity again the cardiac potassium channel, hERG, \u003ci\u003ein vitro\u003c/i\u003e. Compared to other SNRIs, desvenlafaxine undergoes simple metabolism, has a low risk of drug-drug interactions and does not have to be extensively titrated to reach a therapeutic dose. Some of the limitations of desvenlafaxine include moderate efficacy in the treatment of major depressive disorder, similar safety and tolerability profile to other SNRIs and possible transient discontinuation symptoms upon cessation of therapy. ","Absorption":"Absolute bioavailability is approximately 80% and is unaffected by food. Peak plasma concentration is reached in 7.5 hours. ","Interactions":[{"ID":"DB00918"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB01200"},{"ID":"DB00490"},{"ID":"DB00215"},{"ID":"DB01242"},{"ID":"DB01151"},{"ID":"DB00514"},{"ID":"DB00320"},{"ID":"DB00449"},{"ID":"DB01142"},{"ID":"DB00476"},{"ID":"DB00216"},{"ID":"DB01364"},{"ID":"DB00668"},{"ID":"DB01049"},{"ID":"DB01253"},{"ID":"DB00696"},{"ID":"DB01175"},{"ID":"DB00472"},{"ID":"DB00176"},{"ID":"DB00998"},{"ID":"DB00458"},{"ID":"DB01247"},{"ID":"DB06706"},{"ID":"DB00150"},{"ID":"DB06707"},{"ID":"DB00601"},{"ID":"DB01356"},{"ID":"DB00934"},{"ID":"DB00353"},{"ID":"DB04896"},{"ID":"DB00370"},{"ID":"DB01171"},{"ID":"DB00952"},{"ID":"DB01149"},{"ID":"DB00368"},{"ID":"DB00540"},{"ID":"DB00715"},{"ID":"DB00454"},{"ID":"DB00780"},{"ID":"DB01168"},{"ID":"DB01069"},{"ID":"DB00344"},{"ID":"DB00852"},{"ID":"DB01367"},{"ID":"DB00953"},{"ID":"DB00118"},{"ID":"DB01037"},{"ID":"DB01104"},{"ID":"DB01105"},{"ID":"DB01323"},{"ID":"DB00669"},{"ID":"DB06204"},{"ID":"DB00193"},{"ID":"DB00752"},{"ID":"DB00656"},{"ID":"DB00726"},{"ID":"DB00285"},{"ID":"DB00315"}],"Salts":[{"ID":"DBSALT000045","Name":"Desvenlafaxine Succinate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06701","Name":"Dexmethylphenidate","DrugType":"small molecule","HalfLife":"2-4 hours","Description":"Dexmethylphenidate is the dextrorotary form of methylphenidate. It is a norepinephrine-dopamine reuptake inhibitor (NDRI) and thus a psychostimulant. It is used for treatment of Attention Deficit Hyperactivity Disorder (ADHD). ","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"Dexmethylphenidate is used as a treatment for ADHD, ideally in conjunction with psychological, educational, behavioral or other forms of treatment.","Toxicity":"Insomnia, dizziness, nausea, stomach pain, euphoria, headache, anxiety, anorexia, and weight loss are common side effects.\r\nSymptoms of overdose include vomiting, agitation, tremors, hyperreflexia, muscle twitching, convulsions (may be followed by coma), euphoria, confusion, hallucinations, delirium, sweating, flushing, headache, hyperpyrexia, tachycardia, palpitations, cardiac arrhythmias, hypertension, mydriasis, and dryness of mucous membranes. LD\u003csub\u003e50\u003c/sub\u003e=190mg/kg (orally in mice)","MechanismOfAction":"Methylphenidate blocks dopamine uptake in central adrenergic neurons by blocking dopamine transport or carrier proteins. Methylphenidate acts at the brain stem arousal system and the cerebral cortex and causes increased sympathomimetic activity in the central nervous system.\r\nMethylphenidate is a catecholamine reuptake inhibitor that indirectly increases catecholaminergic neurotransmission by inhibiting the dopamine transporter (DAT) and norepinephrine transporter (NET), which are responsible for clearing catecholamines from the synapse, particularly in the striatum and meso-limbic system.","Pharmacodynamics":"Methylphenidate is a central nervous system stimulant used most commonly in the treatment of attention-deficit disorders in children and for narcolepsy.","Absorption":"11-52%","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06702","Name":"Fesoterodine","DrugType":"small molecule","HalfLife":"7-8 hours for the active metabolite 5-hydroxymethyl tolterodine ","Description":"Fesoterodine is an antimuscarinic prodrug for the treatment of overactive bladder syndrome.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"For the treatment of overactive bladder (with symptoms of urinary frequency, urgency, or urge incontinence).","Toxicity":"Rat, Oral, LD50: ~ 681 mg/kg\r\nMouse, Oral, LD50: ~ 316 mg/kg \r\nRat, Intravenous, NOAEL: 10 mg/kg\r\nMouse, Intravenous, NOAEL: 10 mg/kg","MechanismOfAction":"Fesoterodine, once converted to its active metabolite, 5-hydroxymethyltolterodine, acts as a competitive antagonists at muscarinic receptors. This results in the inhibition of bladder contraction, decrease in detrusor pressure, and an incomplete emptying of the bladder.","Pharmacodynamics":"Fesoterodine is a prodrug. In-vivo it is broken down into its active metabolite, 5-hydroxymethyl tolterodine (5-HMT), by plasma esterases. The 5-hydroxymethyl metabolite, which exhibits an antimuscarinic activity. Both urinary bladder contraction and salivation are mediated via cholinergic muscarinic receptors. Therefore, acting as a competitive muscarinic receptor antagonist, fesoterodine ultimately acts to decrease the detrusor pressure by its muscarinic antagonism, thereby decreasing bladder contraction and consequently, the urge to urinate.","Absorption":"Tmax (5-HMT): 5 hours post-adminitration of fesoterodine. \r\nAUC (0,∞)= 49.5 ng·h/ ml \r\nBioavailability, 5-HMT = 52% ","Interactions":[{"ID":"DB00872"},{"ID":"DB00196"},{"ID":"DB01026"}],"Salts":[{"ID":"DBSALT000085","Name":"Fesoterodine Fumarate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06703","Name":"Gadobutrol","DrugType":"small molecule","HalfLife":"1.81 hours (1.33-2.13 hours). ","Description":"Intravenous gadobutrol is a second-generation extracellular non-ionic macrocyclic GBCA (gadolinium-based contrast agent) used in magnetic resonance imaging (MRI) in adults and children older than 2 years of age. It may help visualize and detect vascular abnormalities in the blood brain barrier (BBB) and central nervous system (CNS). \r\n\r\nIn patients with impaired renal function, gadolinium based contrast agents increase the risk of nephrogenic systemic fibrosis (NSF). A physician should be contacted if symptoms of NSF are encountered, such as dark or red patches on the skin; stiffness in joints; trouble moving, bending or straightening arms, hands, legs or feet; burning, itching, swelling, scaling, hardening and tightening of skin; pain in hip bones or ribs; or muscle weakness. \r\n\r\nCommon adverse reactions that may be experienced include headache, nausea, feeling hot, abnormal taste, and warmth, burning or pain local to the injection site. \r\n\r\nGeneral precautions should be taken in patients who are pregnant or breastfeeding, or who have a history of allergic reaction to contrast media, bronchial asthma or an allergic respiratory disorder. ","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For diagnostic use only. Indicated for adults and children age 2 and over for contrast enhancement during cranial and spinal MRI, and for contrast-enhanced magnetic resonance angiography (CE-MRA). Gadobutrol is particularly suited for the detection of very small lesions and for the visualization of tumors that do not readily take up contrast media. It may be a desired agent when the exclusion or demonstration of an additional pathology may influence the choice of therapy or patient management. It may also be suitable for perfusion studies in the diagnosis of stroke, detection of focal cerebral ischemia, and in studies of tumor perfusion. ","Toxicity":"Lethality was observed in rodents after a single intravenous administration of 20 mmol/kg. This represents a dose of at least 2 orders of magnitude\r\nhigher than the standard single diagnostic dose in humans (0.1 mmol/kg).\r\n\r\nNo carcinogenicity studies have been conducted. \r\n\r\nNo mutagenesis was observed in vitro in reverse mutation tests in bacteria, or in the HGPRT (hypoxanthine-guanine phosphoribosyl transferase) test using Chinese hamster V79 cells. Similarly, no mutagenesis was seen in chromosome abberation tests of human peripheral blood lymphocytes. It was also negative in in-vivo micronucleus tests in mice following a 0.5mmol/kg intravenous injection. \r\n\r\nNo fertility or reproductive impairment was observed in male and female rates given doses 12.2 times human equivalent doses, based on body surface area. \r\n\r\nIntolerance reactions local to the injection site have been observed in rabbits after paravenous administration, and are associated with the infiltration of inflammatory cells, suggesting the possibility of local irritation if the contrast medium leaks around veins in a clinical setting. ","MechanismOfAction":"MRI tissue visualization is dependent, in part, on variations in intensity of radiofrequency signals which occur due to differences in proton density, differences of the spin-lattice or longitudinal relaxation times (T1), and differences in the spin-spin or transverse relaxation times (T2).\r\n\r\nGadolinium shortens T1 and T2 relaxation times. Greater signal enhancement is achieved with increased shortening of T1 and T2. The extent to which Gadolinium can shorten T1 and T2 is influenced by concentration in tissue, MRI field strength, and the relative ratio of transverse and longitudinal relaxation times. \r\n\r\nThe recommended dose produced the greatest sensitivity of T1 shortening effect in T1-weighted magnetic resonance sequences. \r\nIn T2-weighted sequences, the large magnetic moment of gadolinium induced local magnetic field inhomogenenities. \r\n\r\nAt high concentrations used during bolus injections, T2-weighted sequences show a signal decrease. ","Pharmacodynamics":"Even at low concentrations Gadobutrol can lead to distinct shortening of relaxation times of protons in plasma. At physiological conditions (pH=7, temperature=37°C), and 1.5T, the relaxivity (r1) is 5.2L/(mmol·sec) based on the relaxation times (T1), while the relativity (r2) is 6.1L/(mmol·sec) based on relaxation times (T2). \r\n\r\nMagnetic field strength has only slight influence on relaxivities. \r\n\r\nDrug concentration and r1 relaxivity may contribute to a T1 shortening effect, which may improve tissue visualization. ","Absorption":"With normal renal function, the AUC is 1.1 ± 0.1 mmol·h/L. ","Interactions":[{"ID":"DB06697"},{"ID":"DB06708"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06704","Name":"Iobenguane","DrugType":"small molecule","HalfLife":"Physical half life = 13.2 hours ","Description":"Synthetic guanethidine derivative that locates phaeochromocytomas and neuroblastomas. The radioisotope used can either be iodine-123 for imaging or iodine-131 for destruction of tissues that metabolize noradrenaline. Iodine 123 is a cyclotron-produced radionuclide that decays to Te 123 by electron capture. Images are produced by a I123 MIBG scintigraphy. FDA approved on September 19, 2008. ","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"Detection of primary and metastatic pheochromocytoma or neuroblastoma ","Toxicity":"Oral mouse: LD50 = 300 mg/kg;\r\nOral, rabbit: LD50 = 3200 mg/kg;\r\nOral, rat: LD50=980 mg/kg.\r\nThe most common adverse reactions, dizziness, rash, pruritis, flushing, headache, and injection site hemorrhage occurred in \u003c 1.3% of patients.","MechanismOfAction":"Structure of iobenguane is similar to noradrenaline so it can be taken up by adrenergic tissue in the adrenal medulla, liver, heart, and spleen. Once taken up by noradrenaline transporters in the adrenergic nerve terminals, it is stored in the presynaptic storage vesicles. The radioactive iodine component is responsible for its imaging properties. ","Pharmacodynamics":"AdreView is a diagnostic radiopharmaceutical which contains a small quantity of iobenguane that is not expected to produce a pharmacodynamic effect. Patients with renal insufficiency may experience increased radiation exposure and impaired imaging results. ","Absorption":"Iobenguane rapidly clears from the blood and is highly retained in adrenergic tissues. ","Interactions":[{"ID":"DB00321"},{"ID":"DB00907"},{"ID":"DB01364"},{"ID":"DB00458"},{"ID":"DB00598"},{"ID":"DB04896"},{"ID":"DB00388"},{"ID":"DB00397"},{"ID":"DB00852"},{"ID":"DB00206"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06705","Name":"Gadofosveset trisodium","DrugType":"small molecule","HalfLife":"18.5 hours","Description":"Gadofosveset trisodium is an intravenous contrast agent used with magnetic resonance angiography(MRA), which is a non-invasive way of imaging blood vessels. The agent allows for the vascular system to be imaged more clearly by the MRA. In this way, gadofosveset trisodium is used to help diagnose certain disorders of the heart and blood vessels.","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"Gadofosveset trisodium is indicated for use as a contrast agent in magnetic resonance angiography (MRA) to evaluate aortoiliac occlusive disease (AIOD) in adults with known or suspected peripheral vascular disease.","Toxicity":"Gadolinium-based contrast agents increase the risk for nephrogenic systemic fibrosis (NSF) in patients with acute or chronic severe renal insufficiency (glomerular filtration rate \u003c 30 mL/min/1.73m²).","MechanismOfAction":"Gadofosveset binds reversibly to endogenous serum albumin resulting in longer vascular residence time than non-protein binding contrast agents. The binding to serum albumin also increases the magnetic resonance relaxivity of gadofosveset and decreases the relaxation time (Tl) of water protons resulting in an increase in signal intensity (brightness) of blood.","Pharmacodynamics":"Gadofosveset causes signal enhancement by shortening the T1 of water molecules that interact with it. The contrast agent complex's rotation rate is the primary factor determining the magnitude of relaxation enhancement. This relaxation enhancement increase only occurs when bound to human serum albumin. ","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB06708"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06706","Name":"Isometheptene","DrugType":"small molecule","HalfLife":"","Description":"Isometheptene is a sympathomimetic drug which causes vasoconstriction. It is used for treating migraines and tension headaches.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Isometheptene is a sympathomimetic drug which causes vasoconstriction. It is used for treating migraines and tension headaches.","Toxicity":"","MechanismOfAction":"Isometheptene's vasoconstricting properties arise through activation of the sympathetic nervous system via epinephrine and norepinephrine (or their molecular analogues as is the case with this drug). These compounds elicites smooth muscle activation leading to vasoconstriction. These compounds interact with cell surface adrenergic receptors. Such stimuli result in a signal transduction cascade that leads to increased intracellular calcium from the sarcoplasmic reticulum through IP3 mediated calcium release, as well as enhanced calcium entry across the sarcolemma through calcium channels. The rise in intracellular calcium complexes with calmodulin, which in turn activates myosin light chain kinase. This enzyme is responsible for phosphorylating the light chain of myosin to stimulate cross bridge cycling.\r\n\r\nOnce elevated, the intracellular calcium concentration is returned to its basal level through a variety of protein pumps and calcium exchangers located on the plasma membrane and sarcoplasmic reticulum. This reduction in calcium removes the stimulus necessary for contraction allowing for a return to baseline. The drug can also cause vesicular displacement of noradrenaline from the neuron into the synapse with a similar effect as tyramine.","Pharmacodynamics":"Isometheptene Mucate is an indirect-acting sympathomimetic. Due to its vasoconstricting properties, Isometheptene Mucate is used for the treatment of acute migraine attacks, usually in combination with other analgeics. It can also displace catecholamines from vesicles inside the neuron leading to the sympathetic responses it is known for.","Absorption":"","Interactions":[{"ID":"DB06700"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06707","Name":"Levonordefrin","DrugType":"small molecule","HalfLife":"","Description":"Levonordefrin acts as a topical nasal decongestant and vasoconstrictor, most often used in dentistry.","Classification":{"Description":"This compound belongs to the catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.","DirectParent":"Catecholamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"Used as a topical nasal decongestant and vasoconstrictor in dentistry.","Toxicity":"","MechanismOfAction":"It is designed to mimic the molecular shape of adrenaline. It binds to alpha-adrenergic receptors in the nasal mucosa. Here it can, therefore, cause vasoconstriction","Pharmacodynamics":"is a sympathomimetic amine used as a vasoconstrictor in local\r\nanesthetic solutions. It has pharmacologic activity similar to that of Epinephrine but it is more stable than Epinephrine. In equal concentrations, Levonordefrin is less potent than Epinephrine in raising blood pressure, and as a vasoconstrictor.","Absorption":"","Interactions":[{"ID":"DB06700"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06708","Name":"Lumefantrine","DrugType":"small molecule","HalfLife":"~ 4.5 days","Description":"Lumefantrine is an antimalarial agent used to treat acute uncomplicated malaria. It is administered in combination with artemether for improved efficacy. This combination therapy exerts its effects against the erythrocytic stages of \u003ci\u003ePlasmodium spp.\u003c/i\u003e and may be used to treat infections caused by \u003ci\u003eP. falciparum\u003c/i\u003e and unidentified \u003ci\u003ePlasmodium\u003c/i\u003e species, including infections acquired in chloroquine-resistant areas. ","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Lumefantrine and artemether combination therapy is indicated for the treatment of acute uncomplicated malaria caused by \u003ci\u003ePlasmodium falciparum\u003c/i\u003e, including malaria acquired in chloroquine-resistant areas. May also be used to treat uncomplicated malaria when the \u003ci\u003ePlasmodium\u003c/i\u003e species has not been identified. Indicated for use in adults and children greater than 5 kg. ","Toxicity":"Common side effects of combination artemether/lumefantrine therapy in adults include headache, anorexia, dizziness, and asthenia. Common side effects in children include pyrexia, cough, vomiting, anorexia, and headache. Possible serious adverse effects include QT prolongation, bullous eruption, urticaria, splenomegaly (9%), hepatomegaly (adults, 9%; children, 6%), hypersensitivty reaction, and angioedema.","MechanismOfAction":"The exact mechanism by which lumefantrine exerts its antimalarial effect is unknown. However, available data suggest that lumefantrine inhibits the formation of \u0026beta;-hematin by forming a complex with hemin and inhibits nucleic acid and protein synthesis. ","Pharmacodynamics":"Lumefantrine is a blood schizonticide active against erythrocytic stages of \u003ci\u003ePlasmodium falciparum\u003c/i\u003e. It is thought that administration of lumefantrine with artemether results in cooperate antimalarial clearing effects. Artemether has a rapid onset of action and is rapidly cleared from the body. It is thus thought to provide rapid symptomatic relief by reducing the number of malarial parasites. Lumefantrine has a much longer half life and is believed to clear residual parasites. ","Absorption":"Food increases absorption. ","Interactions":[{"ID":"DB01118"},{"ID":"DB00321"},{"ID":"DB00543"},{"ID":"DB00714"},{"ID":"DB01169"},{"ID":"DB06216"},{"ID":"DB00207"},{"ID":"DB01244"},{"ID":"DB00608"},{"ID":"DB00477"},{"ID":"DB00604"},{"ID":"DB00215"},{"ID":"DB00250"},{"ID":"DB01142"},{"ID":"DB04855"},{"ID":"DB00450"},{"ID":"DB00199"},{"ID":"DB01175"},{"ID":"DB01195"},{"ID":"DB00196"},{"ID":"DB00472"},{"ID":"DB00875"},{"ID":"DB00529"},{"ID":"DB06703"},{"ID":"DB06705"},{"ID":"DB01218"},{"ID":"DB00502"},{"ID":"DB01611"},{"ID":"DB00308"},{"ID":"DB04946"},{"ID":"DB00458"},{"ID":"DB00808"},{"ID":"DB00270"},{"ID":"DB01259"},{"ID":"DB01137"},{"ID":"DB00408"},{"ID":"DB00934"},{"ID":"DB00358"},{"ID":"DB00933"},{"ID":"DB00333"},{"ID":"DB01403"},{"ID":"DB00218"},{"ID":"DB04868"},{"ID":"DB01059"},{"ID":"DB00540"},{"ID":"DB00104"},{"ID":"DB06589"},{"ID":"DB00738"},{"ID":"DB00556"},{"ID":"DB01100"},{"ID":"DB01087"},{"ID":"DB01599"},{"ID":"DB01035"},{"ID":"DB01131"},{"ID":"DB01182"},{"ID":"DB00344"},{"ID":"DB00205"},{"ID":"DB01224"},{"ID":"DB00908"},{"ID":"DB00468"},{"ID":"DB00243"},{"ID":"DB00734"},{"ID":"DB06176"},{"ID":"DB00489"},{"ID":"DB01208"},{"ID":"DB01268"},{"ID":"DB00864"},{"ID":"DB00675"},{"ID":"DB06402"},{"ID":"DB00976"},{"ID":"DB04844"},{"ID":"DB00679"},{"ID":"DB01623"},{"ID":"DB00539"},{"ID":"DB00726"},{"ID":"DB00582"},{"ID":"DB02546"},{"ID":"DB00246"},{"ID":"DB01624"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06709","Name":"Methacholine","DrugType":"small molecule","HalfLife":"","Description":"Methacholine acts as a non-selective muscarinic receptor agonist to stimulate the parasympathetic nervous system. It is most commonly used for diagnosing bronchial hyperreactivity, using the bronchial challenge test. Through this test, the drug causes bronchoconstriction and people with pre-existing airway hyperreactivity, such as asthmatics, will react to lower doses of drug.","Classification":{"Description":"This compound belongs to the cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.","DirectParent":"Cholines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Cholines"},"Indication":"It is most commonly used for diagnosing bronchial hyperreactivity, using the bronchial challenge test.","Toxicity":"","MechanismOfAction":"By agonizing the muscarinic receptors, this drug induces bronchoconstriction. This bronchoconstriction is used as a test in asthmatics and in bronchial hyperreactivity.","Pharmacodynamics":"Methacholine acts as a non-selective muscarinic receptor agonist to stimulate the parasympathetic nervous system. It is highly active at all of the muscarinic receptors","Absorption":"","Interactions":[{"ID":"DB00195"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06710","Name":"Methyltestosterone","DrugType":"small molecule","HalfLife":"6-8 hours","Description":"A synthetic anabolic steroid used for treating men with testosterone deficiency or similar androgen replacement therapies. Also, has antineoplastic properties and so has been used secondarily in women with advanced breast cancer. Methyltestosterone is a schedule III drug in the US.","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"Methyltestosterone is an anabolic steroid hormone used to treat men with a testosterone deficiency. It is also used in women to treat breast cancer, breast pain, swelling due to pregnancy, and with the addition of estrogen it can treat symptoms of menopause.","Toxicity":"Side effects include amnesia, anxiety, discolored hair, dizziness, dry skin, hirsutism, hostility, impaired urination, paresthesia, penis disorder, peripheral edema, sweating, and vasodilation.","MechanismOfAction":"The effects of testosterone in humans and other vertebrates occur by way of two main mechanisms: by activation of the androgen receptor (directly or as DHT), and by conversion to estradiol and activation of certain estrogen receptors. Free testosterone (T) is transported into the cytoplasm of target tissue cells, where it can bind to the androgen receptor, or can be reduced to 5\u0026alpha;-dihydrotestosterone (DHT) by the cytoplasmic enzyme 5\u0026alpha;-reductase. DHT binds to the same androgen receptor even more strongly than T, so that its androgenic potency is about 2.5 times that of T. The T-receptor or DHT-receptor complex undergoes a structural change that allows it to move into the cell nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects.","Pharmacodynamics":"Testosterone is a steroid hormone from the androgen group. Testosterone is primarily secreted from the testes of males. In females, it is produced in the ovaries, adrenal glands and by conversion of adrostenedione in the periphery. It is the principal male sex hormone and an anabolic steroid. In both males and females, it plays key roles in health and well-being. Examples include enhanced libido, energy, immune function, and protection against osteoporosis. On average, the adult male body produces about twenty times the amount of testosterone than an adult female's body does.","Absorption":"The methyl group aids to increase oral bioavailability.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06711","Name":"Naphazoline","DrugType":"small molecule","HalfLife":"","Description":"Naphazoline is a rapid acting sympathomimetic vasoconstrictor of occular artierioles. It acts to decrease congestion of the conjunctiva and is found in many over-the-counter eye drops.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"Naphazoline is primarily indicated in conditions like Corneal vascularity, Hyperaemia, Itching, Nasal congestion, and can also be given in adjunctive therapy as an alternative drug of choice in Sinusitis","Toxicity":"Extended usage of Naphazoline can result in decreased effectiveness or a build up of tolerance against the drug. The number of receptors decreases, and when the administration of the drug is ceased, chronic congestion can occur; this is called rhinitis medicamentosa, commonly referred to as rebound congestion. Moreover long-term overdosing can cause degenerative changes in nasal mucous membranes that pose another health problem.","MechanismOfAction":"Naphazoline is a direct acting sympathomimetic drug, which acts on alpha-adrenergic receptors in the arterioles of the nasal mucosa. This activates the adrenal system to yield systemic vasoconstrction. In producing vasoconstriction, the result is a decrease in blood flow in the nasal passages and consequently decreased nasal congestion. The vasoconstriction means that there is less pressure in the capillaries and less water can filter out, thus less discharge is made.","Pharmacodynamics":"Naphazoline is a direct acting sympathomimetic adrenergic alpha-agonist used to induce systemic vasoconstriction, thereby decreasing nasal congestion and inducing constriction around the conjunctiva. The sympathomimetic action of Naphazoline constricts the smaller arterioles of the nasal passages, producing a decongesting effect. Naphazoline ophthalmic causes constriction of blood vessels in the eyes. It also decreases itching and irritation of the eyes. aphazoline constricts the vascular system of the conjunctiva. It is presumed that this effect is due to direct stimulation action of the drug upon the alpha adrenergic receptors in the arterioles of the conjunctiva resulting in decreased conjunctival congestion. Naphazoline belongs to the imidazoline class of sympathomimetics.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000127","Name":"Naphazoline hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06712","Name":"Nilvadipine","DrugType":"small molecule","HalfLife":"","Description":"Nilvadipine is a calcium channel blocker (CCB) for treatment of hypertension.","Classification":{"Description":"This compound belongs to the dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.","DirectParent":"Dihydropyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"For the management of vasospastic angina, chronic stable angina and hypertension.","Toxicity":"","MechanismOfAction":"Nilvadipine inhibits the influx of extracellular calcium through myocardial and vascular membrane pores by physically plugging the channel. The decrease in intracellular calcium inhibits the contractile processes of smooth muscle cells, causing dilation of the coronary and systemic arteries, increased oxygen delivery to the myocardial tissue, decreased total peripheral resistance, decreased systemic blood pressure, and decreased afterload.","Pharmacodynamics":"Nilvadipine is similar to other dihydropyridines including amlodipine, felodipine, isradipine, and nicardipine. Nilvadipine is used to treat Prinzmetal's angina, hypertension, and other vascular disorders such as Raynaud's phenomenon. By blocking the calcium channels, Nifedipine inhibits the spasm of the coronary artery and dilates the systemic arteries, results in a increase of myocardial oxygen supply and a decrease in systemic blood pressure.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06713","Name":"Norelgestromin","DrugType":"small molecule","HalfLife":"","Description":"Norelgestromin is a drug used in contraception. Norelgestromin is the active progestin responsible for the progestational activity that occurs in women after application of ORTHO EVRA patch.","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"Norelgestromin is used for contraception and menopausal hormonal therapy. Norelgestromin may potentially be used in breast cancer treatment due to its inhibitory effect on estrone sulfatase . They convert sulfated steroid precursors to estrogen during pregnancy. ","Toxicity":"","MechanismOfAction":"Norelgestromin inhibits estrone sulfatase, which converts sulfated steroid precursors to estrogen during pregnancy. Norgelgestromin/ethinylestradiol suppresses follicular development, induces changes to the endometrium, which decreases chances of implantation and thickens the cervical mucus, impeding sperm swimming into the uterus. It also has similar agonisting binding affinities as its parent compound, Norgestimate, for progesterone and estrogen receptors.\r\n","Pharmacodynamics":"Norelgestromin is used for contraception and menopausal hormonal therapy transdermally or in combination with ethinyl estradiol as a vaginal ring. Norelgestromin, in combination with ethinyl estradiol inhibits ovulation by suppressing gonadotropins. ","Absorption":"","Interactions":[{"ID":"DB06697"},{"ID":"DB00307"},{"ID":"DB00930"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06714","Name":"Propylhexedrine","DrugType":"small molecule","HalfLife":"","Description":"Propylhexedrine is an alpha-adrenergic agonist often used in nasal decongestant inhalers. It is used to give temporary relief for nasal congestion from colds, allergic rhinitis, or allergies.\r\n","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"It is used to provide temporary symptomatic relief of nasal congestion due to colds, allergies and allergic rhinitis.","Toxicity":"The signs and symptoms that are produced after the acute overdosage of Propylhexidrine include Psychosis, Burning sensation.","MechanismOfAction":"Propylhexidrine causes the norepinephrine, dopamine, and serotonin (5HT) transporters to reverse their direction of flow. This inversion leads to a release of these transmitters from the vesicles to the cytoplasm and from the cytoplasm to the synapse. It also antagonizes the action of VMAT2, causing the release of more neurotransmitters.","Pharmacodynamics":"Like other monoamine releasing stimulants propylhexedrine is active as a norepinephrine and dopamine releaser in the central nervous system. The acute effects of the drug closely resemble the physiological and psychological effects of an epinephrine-provoked fight-or-flight response, including increased heart rate and blood pressure, vasoconstriction (constriction of the arterial walls), bronchodilation, and hyperglycemia (increased blood sugar).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06715","Name":"Potassium Iodide","DrugType":"small molecule","HalfLife":"","Description":"Saturated solution of Potassium Iodide (SSKI) is used pharmaceutically for emergency use in patients experiencing acute symptoms of severe hyperglycemia (also known as thyroid storm or thyrotoxic crisis). SSKI can also be used for radioiodine-contamination emergencies or in preparation of thyrotoxic patients for thyroidectomy.","Classification":{"Description":"This compound belongs to the alkali metal iodides. These are inorganic compounds in which the largest halogen atom is Iodine, and the heaviest metal atom is an alkali metal.","DirectParent":"Alkali Metal Iodides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Alkali Metal Salts","SubClass":"Alkali Metal Iodides"},"Indication":"Potassium Iodide is oral antithyroid agent. Potassium Iodide is used as an adjunct to other antithyroid agents in the treatment of hyperthyroidism and thyrotoxicosis and preoperatively to induce thyroid involution.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"It works in the thyroid gland. By inhibiting thyroid hormone synthesis and release, thyroid gland vascularity is reduced, thyroid gland tissue becomes firmer, thyroid cell size is reduced, follicular colloid reaccumulates, and bound iodine levels increase. As a protectant following radiation exposure, KI blocks the uptake of radioactive iodine isotopes by the thyroid gland thereby minimizing the risk of radiation-induced thyroid neoplasms.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06716","Name":"Fospropofol","DrugType":"small molecule","HalfLife":"When given to a patient, the half-lives are as follows: \r\nFospropofol = 0.81 hours; \r\nPropofol metabolite = 1.13 hours \r\n","Description":"Fospropofol is a water soluble prodrug and is converted to propofol in the liver. Fospropofol is a short acting hypnotic/sedative/anesthetic agent. Unlike propofol, does not cause injection-site pain as it is unable to activate TRPA1. FDA approved in December 2008.\r\nFospropofol is classified as a Schedule IV controlled substance in the United States' Controlled Substances Act.","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"For monitored anaesthesia care sedation in patients undergoing diagnostic procedures like bronchoscopy and colonscopy or minor surgical procedures like arthroscopy and bunionectomy. ","Toxicity":"Overdosage may lead to cardiorespiratory depression, formic acid toxicity (methanol toxicity-like effects), and/or phosphate-induced hypocalemia. Most common adverse reactions (\u003e 20%) are paresthesia and pruritus.","MechanismOfAction":"After in-vivo conversion of fospropofol into propofol by endothelial alkaline phosphatase, propofol crosses the blood-brain barrier, binds to GABA-A receptors and acts as an agonist. By binding to GABA-A receptor, it will cause an increase in chloride conductance, thus inhibiting the firing of new action potentials in the post-synaptic neuron. ","Pharmacodynamics":"Fospropofol is a prodrug of propofol, a sedative hypnotic drug. Unlike propofol, fospropofol is water soluble and can be administered in an aqueous solution. 1.86 mg of fospropofol is the molar equivalent for 1mg of propofol. ","Absorption":"Adequate sedation achieved after 7 minutes with a IV bolus dose of 10mg/kg. It takes 21-45 minutes for patients to recover for fospropopol-induced sedation. Following an intravenous bolus administration of 6 mg/kg in a healthy subject, the pharmacokinetic parameters of fospropofol are as follows: \r\nCmax = 78.7 μg/mL;\r\nTmax = 4 minutes; \r\nAUC(0-∞) = 19.0 μg ⋅ h/mL; \r\n","Interactions":null,"Salts":[{"ID":"DBSALT000090","Name":"Fospropofol disodium "}],"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB06717","Name":"Fosaprepitant","DrugType":"small molecule","HalfLife":"9-13 hours","Description":"Fosaprepitant is an intravenously administered antiemetic drug. It is a prodrug of Aprepitant. It aids in the prevention of acute and delayed nausea and vomiting associated with chemotherapy treatment.","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"For the prevention of nausea and vomiting associated with highly emetogenic cancer chemotherapy.","Toxicity":"","MechanismOfAction":"Aprepitant has been shown in animal models to inhibit emesis induced by cytotoxic chemotherapeutic agents, such as cisplatin, via central actions. Animal and human Positron Emission Tomography (PET) studies with Aprepitant have shown that it crosses the blood brain barrier and occupies brain NK1 receptors. Animal and human studies show that Aprepitant augments the antiemetic activity of the 5-HT\u003csub\u003e3\u003c/sub\u003e-receptor antagonist ondansetron and the corticosteroid\r\nethasone and inhibits both the acute and delayed phases of cisplatin induced emesis.\r\nIn summary, the active form of fosaprepitant is as an NK1 antagonist which is because it blocks signals given off by NK1 receptors. This therefore decreases the likelihood of vomiting in patients experiencing.","Pharmacodynamics":"Fosaprepitant is a prodrug of Aprepitant. Once biologically activated, the drug acts as a substance P/neurokinin 1 (NK1) receptor antagonist which, in combination with other antiemetic agents, is indicated for the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors. Aprepitant has little or no affinity for serotonin (5-HT\u003csub\u003e3\u003c/sub\u003e), dopamine, and corticosteroid receptors, the targets of existing therapies for chemotherapy-induced nausea and vomiting (CI NV).","Absorption":"","Interactions":[{"ID":"DB01285"}],"Salts":[{"ID":"DBSALT000089","Name":"Fosaprepitant dimeglumine"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06718","Name":"Stanozolol","DrugType":"small molecule","HalfLife":"24 hours","Description":"Stanozolol is a synthetic anabolic steroid with therapeutic uses in treating hereditary angioedema. Stanozolol is derived from testosterone, and has been abused by several high profile professional athletes. ","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"Stanozolol is a synthetic anabolic steroid with therapeutic uses in treating C1-inhibitor deficient hereditary angioedema. C1-inhibitor is a protease that inhibits the complement system (part of the innate immune system), a biochemical chain of reactions which assists the body in removing pathogens from the body. Stanozolol may help control attacks of hereditary angioedema. Stanozolol can be administered orally or intramuscularly. ","Toxicity":"","MechanismOfAction":"Stanozolol binds to androgen receptors, such as membrane bound receptor proteins LAGS and stanozolol-binding protein (STBP). ","Pharmacodynamics":"Stanozolol is a synthetic anabolic-androgenic steroid (AAS), which promotes cell growth (anabolism) and development/maintenance of masculine characteristics (androgenism). ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06719","Name":"Buserelin","DrugType":"biotech","HalfLife":"The elimination half-life is approximately 50 to 80 minutes following intravenous administration, 80 minutes after subcutaneous administration and approximately 1 to 2 hours after intranasal administration.","Description":"Buserelin is a synthetic peptide analog of the luteinizing hormone-releasing hormone (LHRH) agonist, which stimulates the pituitary gland's gonadotrophin-releasing hormone receptor (GnRHR). It is used in prostate cancer treatment.\r\n","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Buserelin may be used in the treatment of hormone-responsive cancers such as prostate cancer or breast cancer, estrogen-dependent conditions (such as endometriosis or uterine fibroids), and in assisted reproduction.","Toxicity":"Buserelin may induce early, transient increase in serum testosterone or estradiol which can lead in the exacerbation of signs and symptoms of metastatic prostate cancer or endometriosis. Adverse reactions reported at more than 10% occurrence include headache, loss of libido in patients with prostate cancer, hot flashes, hypermenorrhea, decreased libido in prostate cancer and endometriosis, flatulence, impotence, vaginal dryness, back pain and nasal mucosa irritation.","MechanismOfAction":"Buserelin stimulates the pituitary gland's gonadotrophin-releasing hormone receptor (GnRHR). Buserelin desensitizes the GnRH receptor, reducing the amount of gonadotropin. In males, this results in a reduction in the synthesis and release of testosterone. In females, estrogen secretion is inhibited. While initially, there is a rise in FSH and LH levels, chronic administration of Buserelin results in a sustained suppression of these hormones.","Pharmacodynamics":"The substitution of glycine in position 6 by D-serine, and that of glycinamide in position 10 by ethylamide, leads to a nonapeptide with a greatly enhanced LHRH effect. The effects of buserelin on FSH and LH release are 20 to 170 times greater than those of LHRH. Buserelin also has a longer duration of action than natural LHRH. Investigations in healthy adult males and females have demonstrated that the increase in plasma LH and FSH levels persist for at least 7 hours and that a return to basal values requires about 24 hours.\r\nClinical inhibition of gonadotropin release, and subsequent reduction of serum testosterone or estradiol to castration level, was found when large pharmacologic doses (50-500 mcg SC/day or 300-1200 mcg IN/day) were administered for periods greater than 1 to 3 months. Chronic administration of such doses of buserelin results in sustained inhibition of gonadotropin production, suppression of ovarian and testicular steroidogenesis and, ultimately, reduced circulating levels of gonadotropin and gonadal steroids. These effects form the basis for buserelin use in patients with hormone-dependent metastatic carcinoma of the prostate gland as well as in patients with endometriosis.","Absorption":"Buserelin is water soluble and readily absorbed after subcutaneous injection (70% bioavailable). However, bioavailability after oral absorption. When administered correctly via the nasal route, it may be absorbed in the nasal mucosa to achieve sufficient plasma levels. ","Interactions":[{"ID":"DB00089"},{"ID":"DB00834"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06720","Name":"Velaglucerase alfa","DrugType":"biotech","HalfLife":"11-12 minutes. ","Description":"Velaglucerase alfa is a gene-activated human recombinant glucocerebrosidase used for the treatment of Type 1 Gaucher disease, caused by a deficiency of the lysosomal enzyme glucocerebrosidase. Additionally, Velaglucerase alfa has also been investigated for use in Type 3 Gaucher disease. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Velaglucerase alfa is a hydrolytic lysosomal glucocerebroside-specific enzyme indicated for long-term enzyme replacement therapy for pediatric and adult patients with type 1 Gaucher disease.","Toxicity":"","MechanismOfAction":"Velaglucerase alfa catalyzes the hydrolysis of glucocerebroside, reducing the amount of accumulated glucocerebroside.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB06723","Name":"Aluminum hydroxide","DrugType":"small molecule","HalfLife":"","Description":"Aluminum hydroxide is an inorganic salt used as an antacid. It is a basic compound that acts by neutralizing hydrochloric acid in gastric secretions. Subsequent increases in pH may inhibit the action of pepsin. An increase in bicarbonate ions and prostaglandins may also confer cytoprotective effects. ","Classification":{"Description":"This compound belongs to the post-transition metal hydroxides. These are inorganic compounds in which the largest oxoanion is hydroxide, and in which the heaviest atom not in an oxoanion is a post-transition metal.","DirectParent":"Post-transition Metal Hydroxides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Post-transition Metal Oxoanionic Compounds","SubClass":"Post-transition Metal Hydroxides"},"Indication":"For relief of heartburn and acid indigestion. ","Toxicity":"","MechanismOfAction":"Aluminum hydroxide is a basic inorganic salt that acts by neutralizing hydrochloric acid in gastric secretions. Aluminum hydroxide is slowly solubilized in the stomach and reacts with hydrochloric acid to form aluminum chloride and water. It also inhibits the action of pepsin by increasing the pH and via adsorption. Cytoprotective effects may occur through increases in bicarbonate ion (HCO\u003csub\u003e3\u003c/sub\u003e\u003csup\u003e-\u003c/sup\u003e) and prostaglandins.","Pharmacodynamics":"Gastric-peptic disease occurs as a result of an imbalance between protective factors, such as mucus, bicarbonate, and prostaglandin secretion, and aggressive factors, such as hydrochloric acid, pepsin, and Helicobacter pylori (H. pylori). Antacids work by restoring acid-base balance, attenuating the pepsin activity and increasing bicarbonate and prostaglandin secretion. ","Absorption":"Approximately 17-30% of the aluminum chloride formed is absorbed. ","Interactions":[{"ID":"DB02300"},{"ID":"DB00169"},{"ID":"DB08826"},{"ID":"DB06210"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06724","Name":"Calcium carbonate","DrugType":"small molecule","HalfLife":"","Description":"Calcium carbonate is an inorganic salt used as an antacid. It is a basic compound that acts by neutralizing hydrochloric acid in gastric secretions. Subsequent increases in pH may inhibit the action of pepsin. An increase in bicarbonate ions and prostaglandins may also confer cytoprotective effects. Calcium carbonate may also be used as a nutritional supplement or to treat hypocalcemia. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For relief of heartburn and acid indigestion. May also be used as a nutritional supplement or to treat hypocalcemia. ","Toxicity":"","MechanismOfAction":"Calcium carbonate is a basic inorganic salt that acts by neutralizing hydrochloric acid in gastric secretions. It also inhibits the action of pepsin by increasing the pH and via adsorption. Cytoprotective effects may occur through increases in bicarbonate ion (HCO\u003csub\u003e3\u003c/sub\u003e\u003csup\u003e-\u003c/sup\u003e) and prostaglandins. Neutralization of hydrochloric acid results in the formation of calcium chloride, carbon dioxide and water. Approximately 90% of calcium chloride is converted to insoluble calcium salts (e.g. calcium carbonate and calcium phosphate).\r\n","Pharmacodynamics":"Gastric-peptic disease occurs as a result of an imbalance between protective factors, such as mucus, bicarbonate, and prostaglandin secretion, and aggressive factors, such as hydrochloric acid, pepsin, and \u003ci\u003eHelicobacter pylori\u003c/i\u003e (\u003ci\u003eH. pylori\u003c/i\u003e). Antacids work by restoring acid-base balance, attenuating the pepsin activity and increasing bicarbonate and prostaglandin secretion. The acid-neutralizing capacity of calcium carbonate is 58 mEq/15 ml. \r\nWhen used as a nutritional supplement, calcium carbonate acts by directly increasing calcium stores within the body. ","Absorption":"Maximal absorption occurs at doses of 500 mg or less taken with food. Oral bioavailability depends on intestinal pH, the presence of food and dosage.","Interactions":[{"ID":"DB00258"},{"ID":"DB01164"},{"ID":"DB06210"},{"ID":"DB01167"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06725","Name":"Lornoxicam","DrugType":"small molecule","HalfLife":"3-5 hours","Description":"Lornoxicam (chlortenoxicam) is a new nonsteroidal anti-inflammatory drug (NSAID) of the oxicam class with analgesic, anti-inflammatory and antipyretic properties. Lornoxicam differs from other oxicam compounds in its potent inhibition of prostaglandin biosynthesis, a property that explains the particularly pronounced efficacy of the drug. Lornoxicam is approved for use in Japan.","Classification":{"Description":"This compound belongs to the thienothiazines. These are heterocyclic compounds containing a thiophene ring fused to a thiazine.","DirectParent":"Thienothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienothiazines","SubClass":""},"Indication":"For the treatment of acute mild to moderate pain, as well as pain and inflammation of the joints caused by certain types of rheumatic diseases.","Toxicity":"","MechanismOfAction":"Like other NSAIDS, lornoxicam's anti-inflammatory and analgesic activity is related to its inhibitory action on prostaglandin and thromboxane synthesis through the inhibition of both COX-1 and COX-2. This leads to the reduction of inflammation, pain, fever, and swelling, which are mediated by prostaglandins. However, the exact mechanism of lornoxicam, like that of the other NSAIDs, has not been fully determined.","Pharmacodynamics":"Lornoxicam is a non-steroidal anti-inflammatory drug (NSAID) that belongs to the oxicam class. As with other NSAIDS, lornoxicam is a potent inhibitor of the cyclooxgenase enzymes, which are responsible for catalyzing the formation of prostaglandins (act as messenger molecules in the process of inflammation) and thromboxane from arachidonic acid. Unlike some NSAIDS, lornoxicam's inhibition of cyclooxygenase does not lead to an increase in leukotriene formation, meaning that arachidonic acid is not moved to the 5-lipoxygenase cascade, resulting in the minimization of the risk of adverse events.","Absorption":"Lornoxicam is absorbed rapidly and almost completely from the GI tract (90-100%).","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00700","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557","DB06725"]}]},{"ID":"DB06726","Name":"Bufuralol","DrugType":"small molecule","HalfLife":"","Description":"Bufuralol is a new, non-selective -adrenoceptor blocking agent.","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB06727","Name":"Sparteine","DrugType":"small molecule","HalfLife":"","Description":"Sparteine is a class 1a antiarrhythmic agent; a sodium channel blocker. It is an alkaloid and can be extracted from scotch broom. It is the predominant alkaloid in Lupinus mutabilis, and is thought to chelate the bivalents calcium and magnesium. It is not FDA approved for human use as an antiarrhythmic agent, and it is not included in the Vaughn Williams classification of antiarrhythmic drugs.","Classification":{"Description":"This compound belongs to the sparteine, lupanine, and related alkaloids.","DirectParent":"Sparteine, lupanine, and related Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Lupin Alkaloids","SubClass":"Sparteine, lupanine, and related Alkaloids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06728","Name":"Aniline","DrugType":"small molecule","HalfLife":"","Description":"Aniline, phenylamine or aminobenzene is an organic compound with the formula C6H5NH2. Consisting of a phenyl group attached to an amino group, aniline is the prototypical aromatic amine. Being a precursor to many industrial chemicals, its main use is in the manufacture of precursors to polyurethane. Like most volatile amines, it possesses the somewhat unpleasant odour of rotten fish. It ignites readily, burning with a smoky flame characteristic of aromatic compounds. Aniline is colorless, but it slowly oxidizes and resinifies in air, giving a red-brown tint to aged samples.","Classification":{"Description":"This compound belongs to the anilines. These are organic compounds containing an aminobenzene moiety.","DirectParent":"Anilines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06729","Name":"Sulfaphenazole","DrugType":"small molecule","HalfLife":"","Description":"Sulfaphenazole is a sulfonamide antibacterial.","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"For the treatment bacterial infections.","Toxicity":"","MechanismOfAction":"Sulfaphenazole is a sulfonamide antibacterial. In bacteria, antibacterial sulfonamides act as competitive inhibitors of the enzyme dihydropteroate synthetase (DHPS), an enzyme involved in folate synthesis. As such, the microorganism will be \"starved\" of folate and die.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06730","Name":"Gestodene","DrugType":"small molecule","HalfLife":"16 to 18 hrs.","Description":"Gestodene is a progestogen hormonal contraceptive. Products containing gestoden include Meliane, which contains 20 mcg of ethinylestradiol and 75 mcg of gestodene; and Gynera, which contains 30 mcg of ethinylestradiol and 75 mcg of gestodene.","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"in vitro 99% using 3H=R5020 / in vivo similar to progesterone","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06731","Name":"Seproxetine","DrugType":"small molecule","HalfLife":"4-16 days","Description":"Seproxetine, also known as (S)-norfluoxetine, is a selective serotonin reuptake inhibitor (SSRI). It is an active metabolite of fluoxetine. Seproxetine was being investigated by Eli Lilly as an antidepressant but development was never completed and the drug was never marketed.","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"Seproxetine, also known as (S)-norfluoxetine, is a selective serotonin reuptake inhibitor (SSRI). It is an active metabolite of fluoxetine. Seproxetine was being investigated by Eli Lilly as an antidepressant but development was never completed and the drug was never marketed.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000562","Name":"Seproxetine Hydrochloride"}],"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06732","Name":"beta-Naphthoflavone","DrugType":"small molecule","HalfLife":"","Description":"beta-Naphthoflavone, also known as 5,6-benzoflavone, is a potent agonist of the aryl hydrocarbon receptor and as such is an inducer of such detoxification enzymes as cytochromes P450 (CYPs) and uridine 5'-diphospho-glucuronosyltransferases (UGTs). β-Naphthoflavone is a putative chemopreventive agent.","Classification":{"Description":"This compound belongs to the flavones. These are flavonoids whose structure is based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).","DirectParent":"Flavones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06733","Name":"Bafilomycin A1","DrugType":"small molecule","HalfLife":"","Description":"The bafilomycins are a family of toxic macrolide antibiotic derived from Streptomyces griseus. These compounds all appear in the same fermentation and have quite similar biological activity. Bafilomycins are specific inhibitors of vacuolar-type H+-ATPase. (V-ATPase). The most used bafilomycin is bafilomycin A1. This is a useful tool as it can prevent the re-acidification of synaptic vesicles once they have undergone exocytosis. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"The bafilomycins are a family of toxic macrolide antibiotic derived from Streptomyces griseus. These compounds all appear in the same fermentation and have quite similar biological activity. Bafilomycins are specific inhibitors of vacuolar-type H+-ATPase. (V-ATPase).","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06734","Name":"Bafilomycin B1","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06738","Name":"Ketobemidone","DrugType":"small molecule","HalfLife":"Plasma half-life: 2.42 +/- 0.41 h (m +/- SD).\r\nElimination half-life: 3.27 +/- 0.32 h","Description":"Ketobemidone is a powerful opioid analgesic. Its effectiveness against pain is in the same range as morphine, and it also has some NMDA-antagonist properties. This makes it useful for some types of pain that don't respond well to other opioids. The most commonly cited equalisation ratio for analgesic doses is 25 mg of ketobemidone hydrobromide to 60 mg of morphine hydrochloride or sulfate and circa 8 mg of ketobemidone by injection.","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"For the treatment of all types of severe pain, such as postoperative, cancer, kidney stones and fractures.","Toxicity":"Base: Rat Intravenous LD50: 10 mg/kg; Mouse Intravenous LD50: 14 mg/kg.\r\nHydrochloride salt: Rat Oral LD50: 215 mg/kg; Rat Intravenous LD50: 40 mg/kg\r\n","MechanismOfAction":"Ketobemidone (Cliradon, Ketogan, Ketodur, Cymidon, Ketorax, \u0026amp;c.) is a powerful opioid analgesic. Its effectiveness against pain is in the same range as morphine, and it also has some NMDA-antagonist properties. This makes it useful for some types of pain that don't respond well to other opioids. The most commonly cited equalisation ratio for analgesic doses is 25 mg of ketobemidone hydrobromide to 60 mg of morphine hydrochloride or sulfate and circa 8 mg of ketobemidone by injection.","Pharmacodynamics":"","Absorption":"34% (oral), 44% (rectal)","Interactions":null,"Salts":[{"ID":"DBSALT000189","Name":"Ketobemidone hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06741","Name":"Gavestinel","DrugType":"small molecule","HalfLife":"","Description":"Highly potent and selective non-competitive antagonist acting at the strychnine-insensitive glycine binding site of the NMDA receptor-channel complex (Kd = 0.8 nM). Gavestinel displays \u003e 1000-fold selectivity over NMDA, AMPA and kainate binding sites and is orally bioavailable and active in vivo. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB06742","Name":"Ambroxol","DrugType":"small molecule","HalfLife":"7-12 hours","Description":"Ambroxol is a secretolytic agent used in the treatment of respiratory diseases associated with viscid or excessive mucus. It is the active ingredient of Mucosolvan, Lasolvan or Mucoangin. The substance is a mucoactive drug with several properties including secretolytic and secretomotoric actions that restore the physiological clearance mechanisms of the respiratory tract which play an important role in the body’s natural defence mechanisms. It stimulates synthesis and release of surfactant by type II pneumocytes. Surfactants acts as an anti-glue factor by reducing the adhesion of mucus to the bronchial wall, in improving its transport and in providing protection against infection and irritating agents.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Ambroxol is indicated as “secretolytic therapy in bronchopulmonary diseases associated with abnormal mucus secretion and impaired mucus transport. It promotes mucus clearance, facilitates expectoration and eases productive cough, allowing patients to breathe freely and deeply. ","Toxicity":"","MechanismOfAction":"Ambroxol is a mucolytic agent. Excessive Nitric oxide (NO) is associated with inflammatory and some other disturbances of airways function. NO enhances the activation of soluble guanylate cyclase and cGMP accumulation. Ambroxol has been shown to inhibit the NO-dependent activation of soluble guanylate cyclase. It is also possible that the inhibition of NO-dependent activation of soluble guanylate cyclase can suppress the excessive mucus secretion, therefore it lowers the phlegm viscosity and improves the mucociliary transport of bronchial secretions.","Pharmacodynamics":"","Absorption":"Rapid and almost complete.","Interactions":null,"Salts":[{"ID":"DBSALT000563","Name":"Ambroxol Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06743","Name":"ginkgolide-A","DrugType":"small molecule","HalfLife":"","Description":"A highly active PAF antagonist cage molecule that is isolated from the leaves of the Ginkgo biloba tree. Shows potential in a wide variety of inflammatory and immunological disorders.","Classification":{"Description":"This compound belongs to the ginkgolides and bilobalides. These are diterpene lactones whose structure is based either on the gingkolide or the bilobalide skeleton.","DirectParent":"Ginkgolides and Bilobalides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Terpene Lactones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB06744","Name":"ginkgolide-B","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ginkgolides and bilobalides. These are diterpene lactones whose structure is based either on the gingkolide or the bilobalide skeleton.","DirectParent":"Ginkgolides and Bilobalides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Terpene Lactones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB06745","Name":"ginkgolide-C","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ginkgolides and bilobalides. These are diterpene lactones whose structure is based either on the gingkolide or the bilobalide skeleton.","DirectParent":"Ginkgolides and Bilobalides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Terpene Lactones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB06746","Name":"ginkgolide-J","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ginkgolides and bilobalides. These are diterpene lactones whose structure is based either on the gingkolide or the bilobalide skeleton.","DirectParent":"Ginkgolides and Bilobalides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Terpene Lactones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB06747","Name":"ginkgolide-M","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ginkgolides and bilobalides. These are diterpene lactones whose structure is based either on the gingkolide or the bilobalide skeleton.","DirectParent":"Ginkgolides and Bilobalides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Terpene Lactones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB06748","Name":"ginsenoside C","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.","DirectParent":"Steroidal Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroidal Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB06749","Name":"ginsenoside Rb1","DrugType":"small molecule","HalfLife":"","Description":"Ginsenosides are a class of steroid glycosides, and triterpene saponins, found exclusively in the plant genus Panax (ginseng). Ginsenosides have been the target of research, as they are viewed as the active compounds behind the claims of ginseng's efficacy. Because ginsenosides appear to affect multiple pathways, their effects are complex and difficult to isolate. Rb1 appears to be most abundant in Panax quinquefolius (American Ginseng). Rb1 seems to affect the reproductive system in animal testicles. Recent research shows that Rb1 affects rat embryo development and has teratogenic effects, causing birth defects. Another study shows that Rb1 may increase testosterone production in male rats indirectly through the stimulation of the luteinizing hormone. Traditional Chinese medicine asserts that Panax quinquefolius promotes yin in the body. It also inhibits chemoinvasion and angiogenesis.","Classification":{"Description":"This compound belongs to the steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.","DirectParent":"Steroidal Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroidal Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB06750","Name":"Ginsenoside Rg1","DrugType":"small molecule","HalfLife":"","Description":"Ginsenosides are a class of steroid glycosides, and triterpene saponins, found exclusively in the plant genus Panax (ginseng). Ginsenosides have been the target of research, as they are viewed as the active compounds behind the claims of ginseng's efficacy. Because ginsenosides appear to affect multiple pathways, their effects are complex and difficult to isolate. Rg1 Appears to be most abundant in Panax ginseng (Chinese/Korean Ginseng). It improves spatial learning and increase hippocampal synaptophysin level in mice, plus demonstrates estrogen-like activity.","Classification":{"Description":"This compound belongs to the steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.","DirectParent":"Steroidal Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroidal Glycosides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"nutraceutical":true},"Pathways":null},{"ID":"DB06751","Name":"Drotaverine","DrugType":"small molecule","HalfLife":"7 to 12 hours","Description":"Drotaverine (INN, also known as drotaverin) is an antispasmodic drug, structurally related to papaverine. Drotaverine is a selective inhibitor of phosphodiesterase 4, and has no anticholinergic effects. Drotaverine has been shown to possess dose-dependant analgesic effects in animal models. One small study has shown drotaverine to be eliminated mainly non-renally.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Used in the treatment of functional bowel disorders and alleviating pain in renal colic.","Toxicity":"","MechanismOfAction":"Drotaverine inhibits phosphodiesterases hydrolysing cAMP, thereby increasing cAMP concentration, decreasing Ca uptake of the cells and changing the distribution of calcium among the cells. It may also have minor allosteric calcium channel blocking properties.","Pharmacodynamics":"Drotaverine is a spasmolytic agent by inhibiting PDE4 in smooth muscle cells. ","Absorption":"Bioavailability is highly variable","Interactions":null,"Salts":[{"ID":"DBSALT000911","Name":"Drotaverine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06766","Name":"Alcaftadine","DrugType":"small molecule","HalfLife":"The elimination half-life of the carboxylic acid metabolite is approximately 2 hours following topical ocular administration.","Description":"Alcaftadine is a H1 histamine receptor antagonist indicated for the prevention of itching associated with allergic conjunctivitis. This drug was approved in July 2010.","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"For the prevention of itching associated with allergic conjunctivitis.","Toxicity":"","MechanismOfAction":"Alcaftadine is a H1 histamine receptor antagonist and inhibitor of the release of histamine from mast cells. Decreased chemotaxis and inhibition of eosinophil activation has also been demonstrated.","Pharmacodynamics":"Following bilateral topical ocular administration of alcaftadine ophthalmic solution, 0.25%, the mean plasma Cmax of alcaftadine was approximately 60 pg/mL and the median Tmax occurred at 15 minutes. Plasma concentrations of alcaftadine were below the lower limit of quantification (10 pg/mL) by 3 hours after dosing. The mean Cmax of the active carboxylic acid metabolite was approximately 3 ng/mL and occurred at 1 hour after dosing. Plasma concentrations of the carboxylic acid metabolite were below the lower limit of quantification (100 pg/mL) by 12 hours after dosing.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06768","Name":"Ammonium lactate","DrugType":"small molecule","HalfLife":"","Description":"Ammonium lactate is the ammonium salt of lactic acid.","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"For the treatment of dry, scaly skin (xerosis) and ichthyosis vulgaris and for temporary relief of itching associated with these conditions.","Toxicity":"The oral administration of Lac-Hydrin to rats and mice showed this drug to be practically non-toxic (LD50 \u003e 15 mL/kg).","MechanismOfAction":"Unknown.","Pharmacodynamics":"Lactic acid is an alpha-hydroxy acid. It is a normal constituent of tissues and blood. The alpha-hydroxy acids (and their salts) may act as humectants when applied to the skin. This property may influence hydration of the stratum corneum. In addition, lactic acid, when applied to the skin, may act to decrease corneocyte cohesion.","Absorption":"In vitro study of percutaneous absorption of ammonium lactate lotion, 12% using human cadaver skin indicates that approximately 5.8% of the material was absorbed after 68 hours.\r\n","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06770","Name":"Benzyl alcohol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"Ulesfia (benzyl alcohol) lotion is indicated for the topical treatment of head lice infestation in patients 6 months of age and older. Ulesfia Lotion does not have ovicidal activity.","Toxicity":"1250 mg/kg (rat, oral) LD50\r\n400 mg/kg IPR-RAT LD50 \r\n2000 mg/kg SKN-RBT LD50\r\n53 mg/kg IVN-RAT LD50\r\n2500 mg/kg ORL-GPG LD50","MechanismOfAction":"Benzyl alcohol inhibits lice from closing their respiratory spiracles, allowing the vehicle to obstruct the spiracles and causing the lice to asphyxiate.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06771","Name":"Besifloxacin","DrugType":"small molecule","HalfLife":"The average elimination half-life of besifloxacin in plasma following multiple dosing was estimated to be 7 hours.","Description":"Besifloxacin is a fourth generation fluoroquinolone-type opthalmic antibiotic for the treatment of bacterial conjunctivitis. FDA approved on May 28, 2009. ","Classification":{"Description":"This compound belongs to the quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at at least one position.","DirectParent":"Quinoline Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxylic Acids"},"Indication":"Treatment of bacterial conjunctivitis. Bacterial isolates that are susceptible to besifloxacin include: CDC coryneform group G; Corynebacterium pseudodiphtheriticum; Corynebacterium striatum; Haemophilus influenzae; Moraxella lacunata; Staphylococcus aureus; Staphylococcus epidermidis; Staphylococcus hominis; Staphylococcus lugdunensis; Streptococcus mitis group; Streptococcus oralis; Streptococcus pneumoniae; Streptococcus salivarius* ","Toxicity":"LD50, rat: \u003e2000 mg/kg. The most common adverse reaction reported in 2% of patients treated with besifloxacin was conjunctival redness. ","MechanismOfAction":"Besifloxacin is a bactericidal fluroquinolone-type antibiotic that inhibits bacterial enzymes, DNA gyrase and topoisomerase IV. By inhibiting DNA gyrase, DNA replication, transcription, and repair is impaired. By inhibiting topoisomerase IV, decatenation during cell devision is impaired. Inhibiting these two targets also slows down development of resistance. ","Pharmacodynamics":"Besifloxacin tear concentrations were higher than MIC90 (minimum inhibitory concentration) values for common bacterial pathogens and sustained for 24 hours or longer. Mean residence time in the conjunctiva was 4.7 hours. ","Absorption":"Although ocular surface concentrations are high, average systemic concentrtions after three-times daily dosing was less than 0.5 ng/mL. This indicates that besifloxacin is not appreciably absorbed into the systemic and has a very low risk of systemic side effects. ","Interactions":null,"Salts":[{"ID":"DBSALT000018","Name":"Besifloxacin hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06772","Name":"Cabazitaxel","DrugType":"small molecule","HalfLife":"Following a one-hour intravenous infusion, plasma concentrations of cabazitaxel can be described by a three-compartment pharmacokinetic model with α-, β-, and γ- half-lives of 4 minutes, 2 hours, and 95 hours, respectively.","Description":"Cabazitaxel is an anti-neoplastic used with the steroid medicine prednisone. Cabazitaxel is used to treat people with prostate cancer that has progressed despite treatment with docetaxel. Cabazitaxel is prepared by semi-synthesis with a precursor extracted from yew needles (10-deacetylbaccatin III). It was approved by the U.S. Food and Drug Administration (FDA) on June 17, 2010.","Classification":{"Description":"This compound belongs to the taxanes and 11(15-\u003e1)abeotaxanes. These are diterpenes whose structure is based on the taxane or 11(15-\u003e1)abeaotaxane skeleton, which is characterized by a 6-8-6 tricyclic ring system.","DirectParent":"Taxanes and 11(15-\u003e1)Abeotaxanes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"For treatment of patients with hormone-refractory metastatic prostate cancer previously treated with a docetaxel-containing treatment regimen.","Toxicity":"Cabazitaxel may cause serious side effects including neutropenia, hypersensitivity reactions, gastrointestinal symptoms, and renal failure. Anticipated complications of overdose include exacerbation of adverse reactions such as bone marrow suppression and gastrointestinal disorders. Cabazitaxel penetrates the blood-brain barrier.\r\nLD50, rat = 500 mg/kg ","MechanismOfAction":"Cabazitaxel is a microtubule inhibitor. Cabazitaxel binds to tubulin and promotes its assembly into microtubules while simultaneously inhibiting disassembly. This leads to the stabilization of microtubules, which results in the interference of mitotic and interphase cellular functions. The cell is then unable to progress further into the cell cycle, being stalled at metaphase, thus triggering apoptosis of the cancer cell. ","Pharmacodynamics":"Cabaitaxel has anti-tumour properties and is effective against docetaxel-sensitive and -insensitive tumours. ","Absorption":"After an intravenous dose of cabazitaxel 25 mg/m2 every three weeks to a population of 170 patients with solid tumors, the mean Cmax in patients with metastatic prostate cancer was 226 ng/mL (CV 107%) and was reached at the end of the one-hour infusion (Tmax). The mean AUC in patients with metastatic prostate cancer was 991 ng.h/mL (CV 34%). Administration with prednisone or prednisolone do not effect the pharmacokinetic profile of cabazitaxel. ","Interactions":[{"ID":"DB01072"},{"ID":"DB00564"},{"ID":"DB00515"},{"ID":"DB01211"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB01323"},{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06775","Name":"Carglumic Acid","DrugType":"small molecule","HalfLife":"Median values for the terminal half-life was 5.6 hours (range 4.3-9.5).","Description":"Carglumic acid is an orphan drug used for the treatment of hyperammonaemia in patients with N-acetylglutamate synthase deficiency. This rare genetic disorder results in elevated blood levels of ammonia, which can eventually cross the blood–brain barrier and cause neurologic problems, cerebral edema, coma, and death. Carglumic acid was approved by the U.S. Food and Drug Administration (FDA) on 18 March 2010.","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of acute and chronic hyperammonaemia in patients with N-acetylglutamate synthase (NAGS) deficiency. This enzyme is an important component of the urea cycle to prevent build up of neurotoxic ammonium in the blood. ","Toxicity":"LD50, oral, mouse: \u003e1000 mg/kg ","MechanismOfAction":"Carglumic acid is a synthetic structural analogue of N-acetylglutamate (NAG), which is an essential allosteric activator of the liver enzyme carbamoyl phosphate synthetase 1 (CPS1). CPS1 is found in the mitochondria and is the first enzyme of the urea cycle, which converts ammonia into urea. Carglumic acid acts as a replacement for NAG in NAGS deficiency patients by activating CPS1 but it does not help to regulate the urea cycle.","Pharmacodynamics":"The median Tmax of Carbaglu was 3 hours (range: 2-4). The initial daily dose ranges from 100 to 250 mg/kg, adjusted thereafter to maintain normal plasma levels of ammonia.","Absorption":"30% bioavailability;\r\nCmax, mean, 100 mg/kg dose = 2.6 μg/mL (range of 1.9 - 4.8) \r\nCarglumic acid is not subject to to intracellular degradation. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06777","Name":"Chenodeoxycholic acid","DrugType":"small molecule","HalfLife":"","Description":"Chenodeoxycholic acid (or Chenodiol) is an epimer of ursodeoxycholic acid (DB01586). Chenodeoxycholic acid is a bile acid naturally found in the body. It works by dissolving the cholesterol that makes gallstones and inhibiting production of cholesterol in the liver and absorption in the intestines, which helps to decrease the formation of gallstones. It can also reduce the amount of other bile acids that can be harmful to liver cells when levels are elevated.","Classification":{"Description":"This compound belongs to the dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.","DirectParent":"Dihydroxy Bile Acids, Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"Chenodiol is indicated for patients with radiolucent stones in well-opacifying gallbladders, in whom selective surgery would be undertaken except for the presence of increased surgical risk due to systemic disease or age. Chenodiol will not dissolve calcified (radiopaque) or radiolucent bile pigment stones.","Toxicity":"Hepatotoxic.","MechanismOfAction":"Chenodiol suppresses hepatic synthesis of both cholesterol and cholic acid, gradually replacing the latter and its metabolite, deoxycholic acid in an expanded bile acid pool. These actions contribute to biliary cholesterol desaturation and gradual dissolution of radiolucent cholesterol gallstones in the presence of a gall-bladder visualized by oral cholecystography. Bile acids may also bind the the bile acid receptor (FXR) which regulates the synthesis and transport of bile acids. ","Pharmacodynamics":"It acts by reducing levels of cholesterol in the bile, helping gallstones that are made predominantly of cholesterol to dissolve. Chenodeoxycholic acid is ineffective with stones of a high calcium or bile acid content.","Absorption":"Chenodiol is well absorbed from the small intestine.","Interactions":[{"ID":"DB00930"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06779","Name":"Dalteparin","DrugType":"small molecule","HalfLife":"Terminal Half life:\r\nIntravenous - 2 hours. Subcutaneous - 3-5hours","Description":"Dalteparin, a low molecular weight heparin (LMWH) prepared by nitrous acid degradation of unfractionated heparin of porcine intestinal mucosa origin, is an anticoagulant. It is composed of strongly acidic sulphated polysaccharide chains with an average molecular weight of 5000 and about 90% of the material within the range of 2000-9000. LMWHs have a more predictable response, a greater bioavailability, and a longer anti-Xa half life than unfractionated heparin. Dalteparin can also be safely used in most pregnant women. Low molecular weight heparins are less effective at inactivating factor IIa due to their shorter length compared to unfractionated heparin.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Dalteparin is used as a prophylaxis for deep-vein thrombosis and pulmonary embolisms in patients undergoing general surgery (e.g., abdominal, gynecologic, urologic), and in patients with acute medical conditions (e.g. cancer, bed rest, heart failure, severe lung disease). It is also used in patients who have severely restricted mobility, which poses a risk for thromboembolic complications. \r\n\r\nDalteparin is also used concomitantly with aspirin and/or other therapy (e.g., nitrates, β-adrenergic blockers, clopidogrel, platelet glycoprotein [GP] IIb/IIIa-receptor inhibitors) to reduce the risk of acute cardiac ischemic events. The patients who undergo this treatment combination have unstable angina or non-ST-segment elevation/non-Q-wave myocardial infarction (i.e., non-ST-segment elevation acute coronary syndromes).\r\n\r\nIt is also used in the prevention of clotting during hemodialysis and hemofiltration in connection with acute renal failure or chronic renal insufficiency.","Toxicity":"Overdosage: hemorrhagic complications. \r\nAdverse Drug Reaction: \r\n(common) osteopenia with extended use; mild, reversible non-immunological thrombocytopenia; transient elevation of liver transaminases; alopecia. \r\n(uncommon): severe immunologically-mediated heparin-induced thrombocytopenia; anaphylactic reactions; skin rash, skin necrosis; retroperitoneal hemorrhage; angioedema","MechanismOfAction":"Dalteparin potentiates the activity of ATIII, inhibiting the formation of both factor Xa and thrombin. The main difference between dalteparin and unfractionated heparin (UH) is that dalteparin preferentially inactivates factor Xa. As a result, only a slight increase in clotting time [(i.e. activated partial thomboplastin time (APTT)] is observed relative to UH. For this same reason, APTT is not used to monitor the effects of dalteparin except as an indicator for overdosage. ","Pharmacodynamics":"Dalteparin has an antithrombin binding site that is essential for high affinity binding to the plasma protein antithrombin (ATIII). Anti-Xa activity of plasma is used as both as an estimate of clotting activity, and as a basis to determine dosage. Its use should be avoided in patients with a creatinine clearance less than 20mL/min. In these patients, unfractionated heparin should only be used. As for monitoring, active partial thromboplastin time (aPTT) will only increase at high doses of low molecular weight heparins (LMWH). Therefore, monitoring aPTT is not recommended. However, anti-Xa activity can be measured to monitor the efficacy of the LMWH. ","Absorption":"Almost completely absorbed after subcutaneous (sc) doses, with a bioavialability of about 87%. ","Interactions":[{"ID":"DB00055"}],"Salts":[{"ID":"DBSALT000779","Name":"Dalteparin sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06781","Name":"Difluprednate","DrugType":"small molecule","HalfLife":"","Description":"Difluprednate is a topical corticosteroid indicated for the treatment of infammation and pain associated with ocular surgery. It is a butyrate ester of 6(α), 9(α)-difluoro prednisolone acetate. Difluprednate is abbreviated DFBA, or difluoroprednisolone butyrate acetate. It is indicated for treatment of endogenous anterior uveiti. ","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"For the treatment of inflammation and pain associated with ocular surgery.","Toxicity":"Preclinical pharmacokinetic and toxicity studies have established that difluprednate ophthalmic emulsion 0.05% given 4 times a day is not toxic to the eye.","MechanismOfAction":"Corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins (lipocortins). It is postulated that these proteins control the biosynthesis of potent mediators of infammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2.","Pharmacodynamics":"Difluprednate is a corticosteroid used as an anti-inflammatory steroidal drug used primarily in ocular surgery.","Absorption":"Difluprednate penetrates the corneal epithelium rapidly and effectively. Low systemic absorption. ","Interactions":[{"ID":"DB00963"},{"ID":"DB00586"},{"ID":"DB00712"},{"ID":"DB00465"},{"ID":"DB06802"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06782","Name":"Dimercaprol","DrugType":"small molecule","HalfLife":"The drug has a short half life.","Description":"Dimercaprol is a traditional chelating agent developed by British biochemists at Oxford University during World War II. It was developed as an experimental antidote against the arsenic-based poison gas Lewisite. It has been used clinically since 1949 in arsenic, cadmium and mercury poisoning. In addition, it has in the past been used for the treatment of Wilson's disease, a genetic disorder in which the body tends to retain copper. Dimercaprol is a potentially toxic drug, and its use may be accompanied by multiple side effects.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"For the treatment of arsenic, gold and mercury poisoning. Indicated in acute lead poisoning when used concomitantly with edetate calcium disodium (DB00974).","Toxicity":"The intramuscular LD50 in rats is approximately 105 mg/kg; intraperitoneally 140 mg/kg. The intraperitoneal LD80 in mice is approximately 125 mg/kg. Dimercaprol has been shown in animal experiments to increase brain deposition of arsenite, organic mercury compounds and increase the toxicity of cadmium and lead. Dimercaprol has been shown to induce seizure in animal studies and also is nephrotoxic. ","MechanismOfAction":"The sulfhydryl groups of dimercaprol form complexes with certain heavy metals thus preventing or reversing the metallic binding of sulfhydryl-containing enzymes. The complex is excreted in the urine.","Pharmacodynamics":"Due to its oily nature, dimercaprol is not absorbed orally and its administration requires deep intra-muscular injection that is extremely painful and allergenic. It was found to mobilize and relocate lead to the brain, increasing its neurotoxic effects. Although treatment with dimercaprol increases the excretion of cadmium, there is a concomitant increase in renal cadmium concentration, so its use should be avoided in cases of cadmium toxicity.","Absorption":"After intra-muscular injection.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06795","Name":"Mafenide","DrugType":"small molecule","HalfLife":"","Description":"Mafenide is a sulfonamide-type medication used to treat severe burns. It acts by reducing the bacterial population present in the burn tissue and promotes healing of deep burns. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Mafenide is indicated in the treatment of severe burns.","Toxicity":"Since mafenide is metabolized to a carbonic anhydrase inhibitor, metabolic acidosis could occur. Mafenide is contraindicated in persons with renal impairment or sulfonamide hypersensitivity.","MechanismOfAction":"The precise mechanism of mafenide is unknown. However, mafenide reduces the bacterial population in the avascular burn tissue and promotes spontaneous heeling of deep burns. ","Pharmacodynamics":"","Absorption":"Mafenide is absorbed through devascularized areas into the systemic circulation following topical administration.","Interactions":null,"Salts":[{"ID":"DBSALT001076","Name":"Mafenide Acetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06800","Name":"Methylnaltrexone","DrugType":"small molecule","HalfLife":"terminal: 8.89 ± 2.59 h (intravenous) \r\nterminal: 6.14- 8.83 h (subcutaneous) ","Description":"Methylnaltrexone is a pheriphally-acting μ-opioid antagonists that acts on the gastrointestinal tract to decrease opioid-induced constipation without producing analgesic effects or withdrawal symptoms. It is also a weak CYP2D6 inhibitor. FDA approved in 2008. ","Classification":{"Description":"This compound belongs to the morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.","DirectParent":"Morphinans","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Morphinans","SubClass":""},"Indication":"Treatment of opioids induced constipation in palliative patients that are inadequately responding to laxative therapy. ","Toxicity":"LD50: 50 mg/kg (primates); \r\nOrthostatic hypotension at plasma levels in excess of 1.400 ng/mL. The most common (\u003e5%) adverse reactions reported with methylnaltrexone bromide are abdominal pain, flatulence, nausea, dizziness, diarrhea and hyperhidrosis.","MechanismOfAction":"Methylnaltrexone is a pheriphally-acting μ-opioid antagonists that acts on the gastrointestinal tract inhibit opioid-induced decrease in gastric motility and transit time. Because methylnaltrexone is a quaternary derivative of naltrexone, it produces its gastrointestinal effects without producing analgesic effects or withdrawal symptoms as it does not cross the blood-brain-barrier. ","Pharmacodynamics":"Use of opioids induces slowing of gastrointestinal motility and transit. Following remifentanil administration, the methylnaltrexone and placebo groups showed no change in pupiliary constriction while the naloxone group showed a marked change over the time interval tested. ","Absorption":"Methylnaltrexone is rapidly absorbed. \r\nTmax (SubQ): 30 minutes (regardless of dose);\r\nCmax, 0.15 mg/kg SubQ dose = 117 ng/mL; \r\nAUC24, 0.15 mg/kg SubQ dose = 175 ng·hr/mL; ","Interactions":null,"Salts":[{"ID":"DBSALT000116","Name":"Methylnaltrexone Bromide "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06802","Name":"Nepafenac","DrugType":"small molecule","HalfLife":"","Description":"Nepafenac is a non-steroidal anti-inflammatory prodrug (NSAID) usually sold as a prescription eye drop. It is used to treat pain and inflammation associated with cataract surgery.","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"For the treatment of pain and inflammation associated with cataract surgery.","Toxicity":"Ocularly applied non-steroidal anti-inflammatory drugs may cause increased bleeding of ocular tissues (including hyphemas) in conjunction with ocular surgery.","MechanismOfAction":"Nepafenac is a prodrug. After penetrating the cornea, nepafenac undergoes rapid bioactivation to amfenac, which is a potent NSAID that uniformly inhibits the COX1 and COX2 activity.","Pharmacodynamics":"Low but quantifiable plasma concentrations of nepafenac and amfenac were observed in the majority of subjects 2 and 3 hours postdose, respectively, following bilateral topical ocular TID dosing of nepafenac ophthalmic suspension, 0.1%. The mean steady-state Cmax for nepafenac and for amfenac were 0.310 ± 0.104 ng/ml and 0.422 ± 0.121 ng/ml, respectively, following ocular administration.","Absorption":"Nepafenac rapidly cross the cornea (6 times faster than diclofenac in vitro).","Interactions":[{"ID":"DB06781"}],"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00702","Drugs":["DB00142","DB00143","DB01373","DB01593","DB04557","DB06802"]}]},{"ID":"DB06803","Name":"Niclosamide","DrugType":"small molecule","HalfLife":"","Description":"Niclosamide is used for the treatment of most tapeworm infections. Helminths (worms) are multicellular organisms that infect very large numbers of humans and cause a broad range of diseases. Over 1 billion people are infected with intestinal nematodes, and many millions are infected with filarial nematodes, flukes, and tapeworms. They are an even greater problem in domestic animals. \r\n\r\n","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"For the treatment of tapeworm and intestinal fluke infections: Taenia saginata (Beef Tapeworm), Taenia solium (Pork Tapeworm), Diphyllobothrium latum (Fish Tapeworm), Fasciolopsis buski (large intestinal fluke). Niclosamide is also used as a molluscicide in the control of schistosomiasis.","Toxicity":"Infrequent, mild, and transitory adverse events include nausea, vomiting, diarrhea, and abdominal discomfort.","MechanismOfAction":"Niclosamide works by killing tapeworms on contact. Adult worms (but not ova) are rapidly killed, presumably due to uncoupling of oxidative phosphorylation or stimulation of ATPase activity. The killed worms are then passed in the stool or sometimes destroyed in the intestine. Niclosamide may work as a molluscicide by binding to and damaging DNA.","Pharmacodynamics":"Niclosamide is an antihelminth used against tapeworm infections. It may act by the uncoupling of the electron transport chain to ATP synthase. The disturbance of this crucial metabolic pathway prevents creation of adenosine tri-phosphate (ATP), an essential molecule that supplies energy for metabolism. ","Absorption":"Niclosamide appears to be minimally absorbed from the gastrointestinal tract—neither the drug nor its metabolites have been recovered from the blood or urine.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06804","Name":"Nonoxynol-9","DrugType":"small molecule","HalfLife":"","Description":"Nonoxynol-9 (N-9) is a typical surfactant used as a vaginal spermicide. Spermicides are locally acting non-hormonal contraceptives. When present in the vagina during intercourse, they immobilize/inactivate/damage and/or kill sperms without eliciting systemic effects. N-9 has been in use for more than 30 years as an over-the-counter (OTC) drug in creams, gels, foams and condom lubricants. It is the most commonly used spermicidal contraceptive in the UK and the USA. In several European countries, spermicides are no longer on the market.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Nonoxynol 9 is a surfactant spermicide used for contraception in spermicidal creams, jellies, foams, gel, and lubricants. It is also used in conjuction with other methods of contraception, including condoms, cervical caps and diaphragms.","Toxicity":"The major drawback of nonoxynol-9 is its detergent-type action on epithelial cells and the normal vaginal flora. Detergent-type spermicides alter the vaginal flora, possibly leading to an increased risk of opportunistic infections. These are known to enhance the susceptibility of the epithelium of the lower genital tract to HIV and human papillomavirus infection. N-9 can cause vaginal irritation and allergic vaginitis as well as genital irritation in male partners.","MechanismOfAction":"Nonoxynol-9 interacts with the lipids in the membranes of the acrosome and the midpiece of the sperm. The sperm membranes are lysed; the acrosome, neck and midpiece of the spermatozoa are loosened and then detached which results in their immobilization and death.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB06809","Name":"Plerixafor","DrugType":"small molecule","HalfLife":"Terminal elimination half-life, NHL patients: 4.4 hours;\r\nTerminal elimination half-life, MM patients: 5.6 hours;\r\nTerminal elimination half-life, Hodgkin's lymphoma patients: 3.5 hours; \r\nDistribution half-life: 0.3 hours ","Description":"Plerixafor is a hematopoietic stem cell mobilizer. It is used to stimulate the release of stem cells from the bone marrow into the blood in patients with non-Hodgkin lymphoma and multiple myeloma for the purpose of stimulating the immune system. These stem cells are then collected and used in autologous stem cell transplantation to replace blood-forming cells that were destroyed by chemotherapy. Plerixafor has orphan drug status in the United States and European Union; it was approved by the U.S. Food and Drug Administration on December 15, 2008.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"Used in combination with granulocyte-colony stimulating factor (G-CSF, filgrastim) to mobilize hematopoietic stem cells to the peripheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin’s lymphoma (NHL) and multiple myeloma (MM).","Toxicity":"LD50, mouse, SC: 16.3 mg/kg;\r\nLD50, rat, SC: \u003e50 mg/kg;\r\nLD50, mouse and rat, IV injection: 5.2 mg/kg \r\n","MechanismOfAction":"Plerixafor inhibits the CXCR4 chemokine receptors on CD34+ cells and reversibly blocks binding of the ligand, stromal cell-derived factor-1-alpha (SDF-1α). By blocking the interaction between SDF-1α and CXCR4 with plerixafor, mobilization of progenitor cells is triggered. Filgrastim, a granulocyte-colony stimulating factor, is added to enhance CD34+ cell mobilization, thus increasing the yield of stem cells- an important determinant of graft adequacy. ","Pharmacodynamics":"Plerixafor is a bicyclam derivative that antagonizes CXCR4 by binding to three acidic residues in the ligand-binding pocket: Asp171, Asp262, and Glu288. Blood levels of CD34+ cells peaked at 9 hours after administration of 0.24 mg/kg plerixafor in healthy subjects. In patients that have non-Hodgkin’s lymphoma or multiple myeloma, blood levels of CD34+ peaked at 6 hours. In combination with a G-CSF, circulating CD34+ cells in the peripheral blood peaked at 9-14 hours. ","Absorption":"Pharmacokinetic profile follows a two-compartment model with first-order absorption. A median peak plasma concentration of 0.24 mg/kg of plerixafor occurred 30-60 minutes after subcutaneous dose. \r\n","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06810","Name":"Plicamycin","DrugType":"small molecule","HalfLife":"","Description":"Plicamycin is an antineoplastic antibiotic produced by Streptomyces plicatus. It has been used in the treatment of testicular cancer, Paget's disease of bone, and, rarely, the management of hypercalcemia. The manufacturer discontinued plicamycin in 2000.\r\n","Classification":{"Description":"This compound belongs to the hexose oligosaccharides. These are oligosaccharides in which the saccharide units are hexoses.","DirectParent":"Hexose Oligosaccharides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Oligosaccharides"},"Indication":"For the treatment of testicular cancer, as well as hypercalcemia and hypercalciuria associated with a variety of advanced forms of cancer.","Toxicity":"The most important form of toxicity associated with the use of plicamycin consists of a dose-related bleeding syndrome which usually begins with an episode of epistaxis. Plicamycin crosses the blood-brain barrier; the concentration found in brain tissue is low but it persists longer than in other tissues.","MechanismOfAction":"Plicamycin is presumed to inhibit cellular and enzymic RNA synthesis by forming a complex with DNA. Plicamycin may also lower calcium serum levels by inhibiting the effect of parathyroid hormone upon osteoclasts or by blocking the hypercalcemic action of pharmacologic doses of vitamin D.","Pharmacodynamics":"Plicamycin is lethal to Hela cells in 48 hours at concentrations as low as 0.5 micrograms per milliliter of tissue culture medium. Plicamycin has shown significant anti-tumor activity against experimental leukemia in mice when administered intraperitoneally.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB06811","Name":"Polidocanol","DrugType":"small molecule","HalfLife":"The half-life is approximately 1.5 h. ","Description":"Polidocanol is a sclerosing agent indicated to treat uncomplicated spider veins (varicose veins ≤1 mm in diameter) and uncomplicated reticular veins (varicose veins 1 to 3 mm in diameter) in the lower extremity. It is marketed under the brand names Asclera and Varithena.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Polidocanol is a sclerosing agent indicated to treat uncomplicated spider veins and uncomplicated reticular veins in the lower extremity. ","Toxicity":"Most adverse reactions are related to the intravenous administration such as local irritation, pain, and hematoma. Extravasation can also be an issue.","MechanismOfAction":"When administered, polidocanol locally damages blood vessel endothelium. Following the endothelial damage, platelets aggregate at the site and attach to the venous wall eventually resulting in a dense network of platelets, cellular debris, and fibrin that occludes the vessel. Eventually the vessel is replaced by connective fibrous tissue.","Pharmacodynamics":"Polidocanol has a concentration and volume dependent damaging effect on the blood vessel endothelium. ","Absorption":"When given intravenously, the maximum blood concentrations were reached in 15 mins.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06813","Name":"Pralatrexate","DrugType":"small molecule","HalfLife":"12-18 hours ","Description":"Pralatrexate is an antimetabolite for the treatment of relapsed or refractory peripheral T-cell lymphoma. It is more efficiently retained in cancer cells than methotrexate. FDA approved on September 24, 2009.","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Treatment of relapsed or refractory peripheral T-cell lymphoma. ","Toxicity":"Mucositis is the dose-limiting toxicity. Folic acid and vitamin B12 supplements do not prevent mucositis from happening. ","MechanismOfAction":"The selectivity of pralatrexate for cancer cells is based upon the observation that cancer cells generally have an overexpression of reduced folate carrier protein-1 (RTC-1) compared to normal somatic cells. This carrier protein allows the entrance of pralatrexate into the cell. Upon entering the cell, folypolyglutamate synthase FPGS catalyzes the polyglutamination of pralatrexate so that it is retained inside the cell. \r\nOnce inside, pralatrexate competitively inhibits dihydrofolate reductase (DHFR) and thymidylate synthase. Subsequent depletion of thymidine monophosphate (TMP) occurs so that the cancer cell is unable to synthesize DNA and RNA. As a result, the cancer cell cannot proliferate and is forced to undergo apoptosis. Pralatrexate is more effective against cells that are actively dividing. ","Pharmacodynamics":"Pralatrexate is a 10-deazaaminopterin analogue of methotrexate. Compared to methotrexate, pralatrexate binds to RTC-1 with 10-times the affinity and is a more potent substrate for FPGS. As a result, pralatrexate is better internalized and retained in cancer cells and is more cytotoxic. \r\nKm, pralatrexate = 0.3 μmol/L;\r\nKm, methotrexate = 4.8 μmol/L;\r\nVmax/Km (rate of intracellular transport), pralatrexate = 12.6 \r\nVmax/Km (rate of intracellular transport), methotrexate = 0.9 ","Absorption":"Pralatrexate demonstrates linear pharmacokinetics with a multiphasic decline with both diasteromers over dose range of 30-325 mg/m^2. \r\nBioavailability, nonformulated preparation = 13 - 20%\r\n","Interactions":[{"ID":"DB06681"},{"ID":"DB00482"},{"ID":"DB06643"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB00749"},{"ID":"DB00573"},{"ID":"DB00712"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB00939"},{"ID":"DB00814"},{"ID":"DB00461"},{"ID":"DB00788"},{"ID":"DB00991"},{"ID":"DB00039"},{"ID":"DB00554"},{"ID":"DB01032"},{"ID":"DB01015"},{"ID":"DB00605"},{"ID":"DB00500"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06817","Name":"Raltegravir","DrugType":"small molecule","HalfLife":"9 hours","Description":"Raltegravir is an antiretroviral drug produced by Merck \u0026 Co., used to treat HIV infection. It received approval by the U.S. Food and Drug Administration (FDA) on 12 October 2007, the first of a new class of HIV drugs, the integrase inhibitors, to receive such approval. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of HIV-1 infection in conjunction with other antiretrovirals.","Toxicity":"","MechanismOfAction":"Raltegravir targets integrase, an HIV enzyme that integrates the viral genetic material into human chromosomes, a critical step in the pathogenesis of HIV. The drug is metabolized away via glucuronidation.","Pharmacodynamics":"","Absorption":"Absorbed from the gastrointestinal tract.","Interactions":[{"ID":"DB05521"}],"Salts":[{"ID":"DBSALT000924","Name":"Raltegravir potassium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06822","Name":"Tinzaparin","DrugType":"small molecule","HalfLife":"Anti-Xa activity is 82 minutes. Anti-IIa activity is 71 minutes.","Description":"Tinzaparin is a low molecular weight heparin (LMWH), produced by enzymatic depolymerization of unfractionated heparin from porcine intestinal mucosa. It is a heterogeneous mixture of with an average molecular weight between 5500 and 7500 daltons. Tinzaparin is composed of molecules with and without a special site for high affinity binding to antithrombin III (ATIII). This complex greatly accelerates the inhibition of factor Xa. It is an anticoagulant and considered an antithrombotic. Tinzaparin must be given either subcutaneously or parenterally. LMWHs are less effective at inactivating factor IIa due to their shorter length compared to unfractionated heparin.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Tinzaparin is used for the prevention of postoperative venous thromboembolism in patients undergoing orthopedic surgery and in patients undergoing general surgery who are at high risk of developing postoperative venous thromboembolism. It is also used for the treatment of deep vein thrombosis and/or pulmonary embolism. It is indicated for use in preventing clot formation in indwelling intravenous lines for hemodialysis.","Toxicity":"Osteoporosis with increasing duration of use, bleeding, alopecia, heparin induced thrombocytopenia (HIT). All of these adverse drug reactions occur less with LMWH compared to unfractionated heparin. Tinzaparin showed no toxic effects at doses up to 5 mg/kg in mice, rats, or dogs in standard acute, subacute, and chronic toxicity studies.","MechanismOfAction":"Tinzaparin binds to the plasma protein antithrombin III, forming a complex with then accelerates the inhibition of factor Xa. Its affinity for factor Xa is 2-4 times greater than that of unbound ATIII. The inactivation of factor Xa in turn will exponentially generation of thrombin (factor IIa) molecules, which is needed to activate fibrinogen to fibrin. The coagulation cascade is inhibited because fibrin cannot be formed in the presence of tinzaparin. Like all LMWH, it cannot be given intramuscularly due to increased risk of hematoma.","Pharmacodynamics":"Tinzaparin, like other LMWHs, have a higher anti-Xa activity than anti-IIa activity. The anti-Xa activity of tinzaparin is 2.0 +/- 0.5 times greater than its to anti-IIa activity. Heparin exhibits approximately equal inhibitory activity against Xa and IIa. Tinzaparin is an anticoagulant that blocks the formation of thrombi. Like all LMWHs, tinzaparin only causes activated partial thromboplastin time (aPTT) prolongation at higher doses and routine monitoring is not recommended. However, anti-factor Xa levels may be monitored in some conditions such as pregnancy and renal dysfunction. Its use should be avoided in patients with a creatinine clearance less than 20 mL/min. In these patients, unfractionated heparin should be used. Tinzaparin can be used in patients who have a creatinine clearance between 20-30 mL/min, giving it the highest safety threshold for use in renal failure patients compared to all the LMWHs.","Absorption":"Subcutaneous injection - about 90% when measured as anti-Xa activity versus 67% for anti-IIa activity.","Interactions":[{"ID":"DB00055"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB06827","Name":"Viomycin","DrugType":"small molecule","HalfLife":"","Description":"Viomycin is a member of the tuberactinomycin family, a group of nonribosomal peptide antibiotics exhibiting anti-tuberculosis properties. The tuberactinomycin family is an essential component in the drug cocktail currently used to fight infections of Mycobacterium tuberculosis. Viomycin was the first member of the tuberactinomycins to be isolated and identified and was used to treat TB until it was replaced by the less toxic, but structurally related compound, capreomycin. The tuberactinomycins target bacterial ribosomes, binding RNA and disrupting bacterial protein biosynthesis. It is produced by the actinomycete Streptomyces puniceus, that binds to RNA and inhibits prokaryotic protein synthesis and certain forms of RNA splicing. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Viomycin is an essential component in the drug cocktail currently used to fight infections of Mycobacterium tuberculosis.","Toxicity":"","MechanismOfAction":"The tuberactinomycins, such as Viomycin, target bacterial ribosomes, binding RNA and disrupting bacterial protein biosynthesis. Specifically, viomycin binds to a site on the ribosome which lies at the interface between helix 44 of the small ribosomal subunit and helix 69 of the large ribosomal subunit. The structures of this complexes suggest that the viomycin inhibits translocation by stabilizing the tRNA in the A site in the pretranslocation state.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000952","Name":"Viomycin sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB06828","Name":"5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06829","Name":"4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.","DirectParent":"Thiophene Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":"Thiophene Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06830","Name":"(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06831","Name":"2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06832","Name":"2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom).","DirectParent":"Benzoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06833","Name":"1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.","DirectParent":"Phenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06834","Name":"N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06835","Name":"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06836","Name":"N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06837","Name":"(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06838","Name":"methyl L-phenylalaninate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06839","Name":"N-(ethoxycarbonyl)-L-leucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06840","Name":"diethyl [(1R)-1,5-diaminopentyl]boronate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl,aryl; X= any O,N,Hal residue).","DirectParent":"Boronic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Boronic Acid Derivatives","SubClass":"Boronic Acid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06841","Name":"D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06842","Name":"(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06843","Name":"2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06844","Name":"4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06845","Name":"(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06846","Name":"7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL-1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.","DirectParent":"Phenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06847","Name":"5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06848","Name":"1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06849","Name":"1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids.","DirectParent":"Cinnamic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acid Amides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06850","Name":"(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06851","Name":"N-(pyridin-3-ylmethyl)aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06852","Name":"4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06853","Name":"N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06854","Name":"2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06855","Name":"6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06856","Name":"6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06857","Name":"N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06858","Name":"N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06859","Name":"N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06860","Name":"2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06861","Name":"6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.","DirectParent":"Cyclic Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06862","Name":"2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06864","Name":"2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.","DirectParent":"Gamma Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Gamma Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06865","Name":"6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.","DirectParent":"Indanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06866","Name":"6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.","DirectParent":"Indanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06867","Name":"3,6,9,12,15,18-HEXAOXAICOSANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06868","Name":"N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06869","Name":"1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06870","Name":"17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA-4,9,11-TRIEN-3-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06871","Name":"17-METHYL-17-ALPHA-DIHYDROEQUILENIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06872","Name":"1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06873","Name":"1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06874","Name":"(6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06875","Name":"3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.","DirectParent":"Phenylnaphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06876","Name":"N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06877","Name":"N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06878","Name":"1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06879","Name":"5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06880","Name":"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06881","Name":"(1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06882","Name":"1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06883","Name":"1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06884","Name":"4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06885","Name":"3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06886","Name":"N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06887","Name":"3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06888","Name":"(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.","DirectParent":"Quinoxalines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinoxalines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06889","Name":"3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06890","Name":"(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06891","Name":"5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06892","Name":"(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06893","Name":"1-DECANE-SULFONIC-ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠ H).","DirectParent":"Sulfonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":"Sulfonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06894","Name":"1-DODECANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","DirectParent":"Fatty Alcohols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Alcohols","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06896","Name":"1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06897","Name":"3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoxazolopyridines. These are aromatic compounds containing an isoxazole ring fused to a pyridine ring.","DirectParent":"Isoxazolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoxazolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06898","Name":"4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06899","Name":"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06900","Name":"1-[4-(hydroxymethyl)phenyl]guanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06901","Name":"2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.","DirectParent":"Cyclic Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06902","Name":"4-(1-methyl-1-phenylethyl)phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06903","Name":"(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triquinane sesquiterpenes.","DirectParent":"Triquinane Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06904","Name":"(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the penems. These are organic heterocyclic compounds containing a penem moiety, which is a 2,3-didehydropenam derivative.","DirectParent":"Penems","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06905","Name":"(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06906","Name":"2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidinecarboxylic acids. These are pyrimidines whose structure contain a carboxyl group attached to the pyrimidine ring.","DirectParent":"Pyrimidinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06907","Name":"2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom).","DirectParent":"Benzoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06908","Name":"(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06909","Name":"1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine.","DirectParent":"Pyrazolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06910","Name":"[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06911","Name":"D-leucyl-N-(3-chlorobenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06912","Name":"UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyclic monoterpenes. These are monoterpenes that do not contain a cycle.","DirectParent":"Acyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06913","Name":"(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06914","Name":"1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06915","Name":"naphthalene-1,2,4,5,7-pentol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06916","Name":"N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06917","Name":"(4-fluorophenyl)(pyridin-4-yl)methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.","DirectParent":"Pyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06918","Name":"2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06919","Name":"D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06920","Name":"(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06921","Name":"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06922","Name":"2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06923","Name":"2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06924","Name":"(2R)-2-benzyl-3-nitropropanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06925","Name":"3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06926","Name":"(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lineolic acids and derivatives. These are derivatives of lineolic acid.","DirectParent":"Lineolic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Lineolic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06927","Name":"[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2-phenylbenzofurans.","DirectParent":"2-Phenylbenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Phenylbenzofurans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06928","Name":"(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06929","Name":"1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06930","Name":"N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.","DirectParent":"Phenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06931","Name":"(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06932","Name":"10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06933","Name":"N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06934","Name":"(1R)-3-chloro-1-phenylpropan-1-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06935","Name":"2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06936","Name":"N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06937","Name":"4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring.","DirectParent":"Benzisoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzisoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06938","Name":"4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06939","Name":"N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06940","Name":"N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is a solid. This compound belongs to the pyrrolotriazines. These are compounds containing a pyrrolotriazine moiety, which consists of a pyrrole ring fused to a triazine ring. N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is known to target mitogen-activated protein kinase 14.","Classification":{"Description":"This compound belongs to the pyrrolotriazines. These are compounds containing a pyrrolotriazine moiety, which consists of a pyrrole ring fused to a triazine ring.","DirectParent":"Pyrrolotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolotriazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06941","Name":"(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide","DrugType":"small molecule","HalfLife":"","Description":"(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide is a solid. This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. This drug targets the protein S100B.","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06942","Name":"N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide is a solid. This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids. This medication targets the protein prothrombin.","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06943","Name":"(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol","DrugType":"small molecule","HalfLife":"","Description":"(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol is a solid. This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. This substance is known to target disintegrin and metalloproteinase domain-containing protein 17.","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06944","Name":"N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide","DrugType":"small molecule","HalfLife":"","Description":"N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. The proteins that N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide targets include cyclin-A2 and cyclin-dependent kinase 2.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06945","Name":"N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide is a solid. This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. This substance is known to target a disintegrin and metalloproteinase with thrombospondin motifs 5.","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06946","Name":"(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.","DirectParent":"Phenylpyruvic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpyruvic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06947","Name":"1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06948","Name":"2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06949","Name":"N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06950","Name":"4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06951","Name":"(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06952","Name":"(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06953","Name":"2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06954","Name":"2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06955","Name":"3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06956","Name":"N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06957","Name":"4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06958","Name":"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06959","Name":"(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06960","Name":"N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ceramides. These are lipid molecules containing a sphingosine in which the amine group is linked to a fatty acid.","DirectParent":"Ceramides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Sphingolipids","SubClass":"Ceramides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06961","Name":"5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06962","Name":"(5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06963","Name":"3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06964","Name":"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06965","Name":"HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-PHENYLPROPYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06966","Name":"HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06967","Name":"6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06968","Name":"1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.","DirectParent":"N-substituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06969","Name":"2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06970","Name":"2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06971","Name":"N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.","DirectParent":"Biphenylcarbonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06972","Name":"7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolizines. These are compounds containing a pyrrolizine moiety, which consists of a pyrrole ring fused to a pyrrolidine ring.","DirectParent":"Pyrrolizines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolizines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06973","Name":"4,4'-PROPANE-2,2-DIYLDIPHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06974","Name":"5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06976","Name":"1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06977","Name":"(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.","DirectParent":"Indazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrazoles","SubClass":"Indazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06978","Name":"N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06979","Name":"5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazole carboxylic acids. These are heterocyclic compounds containing a triazole ring substituted by at least one carboxylic acid group.","DirectParent":"Triazole Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06980","Name":"(2S)-2-(1H-indol-3-yl)hexanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.","DirectParent":"Indole-3-acetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06981","Name":"(2S)-2-(1H-indol-3-yl)pentanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.","DirectParent":"Indole-3-acetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06982","Name":"(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.","DirectParent":"Indole-3-acetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06983","Name":"(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06984","Name":"(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitols and derivatives. These are cyclitols with at least one hydroxyl group replace by an amino group.","DirectParent":"Aminocyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06985","Name":"2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06986","Name":"2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.","DirectParent":"Indanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06987","Name":"2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06988","Name":"2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06989","Name":"{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06990","Name":"4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06991","Name":"N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06992","Name":"(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06993","Name":"(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06994","Name":"(2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06995","Name":"N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06996","Name":"D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06997","Name":"2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06998","Name":"[(5R)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB06999","Name":"N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07000","Name":"N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.","DirectParent":"Bipyridines and Oligopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Bipyridines and Oligopyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07001","Name":"(3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with formula R-O-R' , where R is an alkyl group and R' is an aryl group.","DirectParent":"Alkyl Aryl Ethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Alkyl Aryl Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07002","Name":"4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07003","Name":"(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with formula R-O-R' , where R is an alkyl group and R' is an aryl group.","DirectParent":"Alkyl Aryl Ethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Alkyl Aryl Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07004","Name":"2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furans. These are compounds containing a furan ring, which is a five-member aromatic ring with one oxygen atom, four carbon atoms.","DirectParent":"Furans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07005","Name":"D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07006","Name":"9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolocarbazoles. These are compounds containing a pyrrolocarbazole moiety, which is a tetracyclic heterocycle which consists of a pyrrole ring fused to a carbazole.","DirectParent":"Pyrrolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07007","Name":"(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07008","Name":"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07009","Name":"2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07010","Name":"N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07011","Name":"(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07012","Name":"6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07013","Name":"TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.","DirectParent":"Piperidinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Piperidinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07014","Name":"2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole.","DirectParent":"Benzodioxoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07015","Name":"(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07016","Name":"(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.","DirectParent":"Hydroquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07017","Name":"(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07018","Name":"5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinones. These are compounds containing a pyridine ring, which bears a ketone.","DirectParent":"Pyridinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07019","Name":"N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07020","Name":"N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07021","Name":"(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07022","Name":"3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07023","Name":"(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.","DirectParent":"Benzyloxycarbonyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyloxycarbonyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07024","Name":"2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavonols. These are compounds that has the 3-hydroxyflavone backbone.","DirectParent":"Flavonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07025","Name":"3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07026","Name":"(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07027","Name":"D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07028","Name":"(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07029","Name":"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07030","Name":"(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07031","Name":"R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07032","Name":"2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2-phenylbenzofurans.","DirectParent":"2-Phenylbenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Phenylbenzofurans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07033","Name":"5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles and derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07034","Name":"2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.","DirectParent":"Fluorenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Fluorenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07035","Name":"(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07036","Name":"(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07037","Name":"(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.","DirectParent":"Nitroquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Nitroquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07038","Name":"2-(cyclohexylamino)benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07039","Name":"(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07040","Name":"2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene moiety.","DirectParent":"Chromenopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":"Chromenopyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07041","Name":"N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07042","Name":"7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07043","Name":"7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07044","Name":"3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07045","Name":"(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07046","Name":"2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07047","Name":"2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moeity.","DirectParent":"Chlorinated Biphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07048","Name":"N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07049","Name":"(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07050","Name":"5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07051","Name":"3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07052","Name":"5'-S-ethyl-5'-thioadenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07053","Name":"2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07054","Name":"(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07055","Name":"2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07056","Name":"2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07057","Name":"(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07058","Name":"5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07059","Name":"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07060","Name":"3-(INDOL-3-YL) LACTATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07061","Name":"1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07062","Name":"N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07063","Name":"{3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07064","Name":"(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07065","Name":"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07066","Name":"2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07067","Name":"(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07068","Name":"(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07069","Name":"3-Hydroxyhippuric acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07070","Name":"(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07071","Name":"(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07072","Name":"(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazolopyrazines. These are compounds containing a triazole ring fused to a pyrazine ring.","DirectParent":"Triazolopyrazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazolopyrazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07073","Name":"5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.","DirectParent":"Morpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07074","Name":"6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07075","Name":"3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07076","Name":"6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07077","Name":"(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07078","Name":"(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxyphenols and derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.","DirectParent":"Methoxyphenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07079","Name":"3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07080","Name":"N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07081","Name":"(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07082","Name":"1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07083","Name":"beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07084","Name":"N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07085","Name":"2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07086","Name":"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07087","Name":"4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07088","Name":"(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07089","Name":"N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07090","Name":"(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07091","Name":"(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07092","Name":"(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07093","Name":"{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07094","Name":"1-(2,2'-bithiophen-5-yl)methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophenes. These are compounds containing a five-member aromatic compound made up of one sulfur atom and four carbon atoms.","DirectParent":"Thiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07095","Name":"(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07096","Name":"6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07097","Name":"4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07098","Name":"4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07099","Name":"N-[4-(benzyloxy)phenyl]glycinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07100","Name":"4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07101","Name":"N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07102","Name":"(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07103","Name":"2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07104","Name":"4-amino-N-[4-(benzyloxy)phenyl]butanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07105","Name":"2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07106","Name":"4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tertiary amines. These are amines having the nitrogen atom linked to exactly three hydrocarbyl groups.","DirectParent":"Tertiary Amines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Tertiary Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07107","Name":"(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07108","Name":"4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07109","Name":"(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07110","Name":"4-(4-FLUOROBENZYL)PIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07111","Name":"(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxy fatty acids. These are fatty acids in which the chain bears an hydroxyl group.","DirectParent":"Hydroxy Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Hydroxy Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07112","Name":"N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07113","Name":"(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07114","Name":"4-[(METHYLSULFONYL)AMINO]BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07115","Name":"N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07116","Name":"1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indole nucleosides and nucleotides. These are compounds in which the C-1 of a ribosyl moiety is N-linked to the pyrrole ring of an indole.","DirectParent":"Indole Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07117","Name":"5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07118","Name":"7-hydroxy-4-methyl-2H-chromen-2-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07119","Name":"1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl group.","DirectParent":"Phenylnaphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07120","Name":"N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07121","Name":"4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07122","Name":"1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07123","Name":"N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07124","Name":"(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.","DirectParent":"Bipyridines and Oligopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Bipyridines and Oligopyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07125","Name":"4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07126","Name":"O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07127","Name":"{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07128","Name":"N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring.","DirectParent":"Triazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07129","Name":"(2R)-1-(2,6-dimethylphenoxy)propan-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07130","Name":"4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.","DirectParent":"Thiophene Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":"Thiophene Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07131","Name":"(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07132","Name":"1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles and derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07133","Name":"D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07134","Name":"5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07135","Name":"(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07136","Name":"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07137","Name":"(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.","DirectParent":"Phenylimidazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07138","Name":"5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07139","Name":"3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07140","Name":"5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07141","Name":"5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07142","Name":"5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07143","Name":"D-phenylalanyl-N-benzyl-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07144","Name":"5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07145","Name":"(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07146","Name":"2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07147","Name":"methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.","DirectParent":"Quinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07148","Name":"(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07149","Name":"(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07150","Name":"4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07151","Name":"4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.","DirectParent":"Ortho Cresols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07152","Name":"N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.","DirectParent":"Quinoxalines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinoxalines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07153","Name":"6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07154","Name":"(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07155","Name":"(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07156","Name":"(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07157","Name":"(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07158","Name":"5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07159","Name":"6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07160","Name":"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the epoxide amino acids and derivatives. These are sugar amino acids containing an oxirane ring between the carboxy- and the amino terminals of the amino acid chain.","DirectParent":"Epoxide Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07161","Name":"5-phenyl-1H-indazol-3-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.","DirectParent":"Indazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrazoles","SubClass":"Indazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07162","Name":"4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07163","Name":"5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07164","Name":"N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.","DirectParent":"Pyrimidines and Pyrimidine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07165","Name":"N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07167","Name":"5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07168","Name":"[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.","DirectParent":"Benzyl Cyanides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyl Cyanides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07169","Name":"5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.","DirectParent":"Dichlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07170","Name":"5'-FLUORO-2',5'-DIDEOXYADENOSINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07171","Name":"5-(2-hydroxyethyl)nonane-1,9-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.","DirectParent":"Fatty Alcohols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Alcohols","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07172","Name":"(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxyeicosapentaenoic acids. These are eicosanoic acids with an attached hydroxyl group and five CC double bonds.","DirectParent":"Hydroxyeicosapentaenoic Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Hydroxyeicosapentaenoic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07173","Name":"7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07174","Name":"6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07175","Name":"N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07176","Name":"5-aminonaphthalene-1-sulfonic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07177","Name":"(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07178","Name":"5-PENTYL-2-PHENOXYPHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07179","Name":"3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07180","Name":"5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07181","Name":"4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07182","Name":"(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07183","Name":"N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07184","Name":"6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07185","Name":"2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07186","Name":"4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07187","Name":"6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07188","Name":"(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07189","Name":"(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07190","Name":"3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07191","Name":"4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07192","Name":"(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07193","Name":"(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07194","Name":"2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.","DirectParent":"Thiazolecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07195","Name":"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07196","Name":"N-methyl-1-(2-thiophen-2-ylphenyl)methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07197","Name":"4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.","DirectParent":"Thiophene Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":"Thiophene Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07198","Name":"5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2-phenylbenzofurans.","DirectParent":"2-Phenylbenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Phenylbenzofurans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07199","Name":"(2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07200","Name":"(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07201","Name":"(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.","DirectParent":"Fluorenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Fluorenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07202","Name":"6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07203","Name":"6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07204","Name":"(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07205","Name":"N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07206","Name":"6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07207","Name":"2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07208","Name":"(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lineolic acids and derivatives. These are derivatives of lineolic acid.","DirectParent":"Lineolic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Lineolic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07209","Name":"(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lineolic acids and derivatives. These are derivatives of lineolic acid.","DirectParent":"Lineolic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Lineolic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07210","Name":"3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07211","Name":"(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.","DirectParent":"Morpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07212","Name":"N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07213","Name":"(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07215","Name":"2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07216","Name":"(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.","DirectParent":"Benzocycloheptapyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzocycloheptapyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07217","Name":"N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07218","Name":"6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07219","Name":"BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07220","Name":"N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07221","Name":"(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07222","Name":"(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07223","Name":"METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07224","Name":"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07225","Name":"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07226","Name":"N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolocarbazoles. These are compounds containing a pyrrolocarbazole moiety, which is a tetracyclic heterocycle which consists of a pyrrole ring fused to a carbazole.","DirectParent":"Pyrrolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07227","Name":"4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07228","Name":"1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07229","Name":"3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07230","Name":"3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07231","Name":"N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07232","Name":"(2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07233","Name":"N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07234","Name":"3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07235","Name":"N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07236","Name":"3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07237","Name":"{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07238","Name":"5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2-phenylbenzofurans.","DirectParent":"2-Phenylbenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Phenylbenzofurans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07239","Name":"7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07240","Name":"3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.","DirectParent":"Fluorenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Fluorenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07241","Name":"7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.","DirectParent":"Indolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07242","Name":"(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.","DirectParent":"Beta Carbolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyridoindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07243","Name":"(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07244","Name":"5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07245","Name":"6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07246","Name":"(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07247","Name":"[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07248","Name":"7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07249","Name":"N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07250","Name":"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole.","DirectParent":"Benzodioxoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07251","Name":"N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07252","Name":"3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07253","Name":"N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole.","DirectParent":"Benzodioxoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07254","Name":"N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07255","Name":"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07256","Name":"3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole.","DirectParent":"Benzodioxoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07257","Name":"4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole.","DirectParent":"Pyrroloindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyrroloindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07258","Name":"(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07259","Name":"1-(4-thiophen-2-ylphenyl)methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07260","Name":"N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07261","Name":"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07262","Name":"1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07263","Name":"[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.","DirectParent":"Chalcones and Dihydrochalcones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Chalcones and Dihydrochalcones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07264","Name":"(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07265","Name":"3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolocarbazoles. These are compounds containing a pyrrolocarbazole moiety, which is a tetracyclic heterocycle which consists of a pyrrole ring fused to a carbazole.","DirectParent":"Pyrrolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07266","Name":"8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07267","Name":"2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.","DirectParent":"Pyridinylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07268","Name":"2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07269","Name":"(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07270","Name":"N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07271","Name":"(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07272","Name":"N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07273","Name":"1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07274","Name":"N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07275","Name":"3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07276","Name":"5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.","DirectParent":"Pyridinecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07277","Name":"2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.","DirectParent":"Morpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07278","Name":"2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.","DirectParent":"Morpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07279","Name":"N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07280","Name":"5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07281","Name":"N~3~-BENZYLPYRIDINE-2,3-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07282","Name":"3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07283","Name":"9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07284","Name":"N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07285","Name":"(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07286","Name":"2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07287","Name":"2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07288","Name":"N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07289","Name":"5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.","DirectParent":"Thiophene Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":"Thiophene Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07290","Name":"(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07291","Name":"5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07292","Name":"4-(2-amino-1,3-thiazol-4-yl)phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylthiazoles. These are compounds containing a phenylthiazole moiety, which consists of an thiazole ring attacthed to a phenyl group.","DirectParent":"Phenylthiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07293","Name":"benzyl (2-oxopropyl)carbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.","DirectParent":"Benzyloxycarbonyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyloxycarbonyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07294","Name":"3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07295","Name":"2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07296","Name":"(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07297","Name":"5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07298","Name":"3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.","DirectParent":"Thienopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07299","Name":"4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07300","Name":"2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group.","DirectParent":"Hydroxyquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroxyquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07301","Name":"9H-CARBAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07302","Name":"(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lineolic acids and derivatives. These are derivatives of lineolic acid.","DirectParent":"Lineolic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Lineolic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07303","Name":"N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-2,3-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07304","Name":"5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furoic acid derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.","DirectParent":"Furoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Furoic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07305","Name":"5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07306","Name":"ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.","DirectParent":"Piperidinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Piperidinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07307","Name":"N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.","DirectParent":"Phthalazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Phthalazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07308","Name":"5-(2-CHLOROBENZYL)-2-FUROIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furoic acid derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.","DirectParent":"Furoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Furoic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07309","Name":"5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07310","Name":"(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07311","Name":"18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07312","Name":"2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07313","Name":"5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07314","Name":"1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07315","Name":"5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07316","Name":"N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07317","Name":"(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07318","Name":"N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07319","Name":"6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07320","Name":"4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07321","Name":"2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07322","Name":"2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07323","Name":"2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07324","Name":"3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07325","Name":"N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07326","Name":"6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring.","DirectParent":"Benzisoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzisoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07327","Name":"(2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07328","Name":"METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07329","Name":"1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07330","Name":"trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07331","Name":"2-(4-NITROPHENYL)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07332","Name":"ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07333","Name":"N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07334","Name":"N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07335","Name":"3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07336","Name":"4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxyphenols and derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.","DirectParent":"Methoxyphenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07337","Name":"4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07338","Name":"5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrobenzoic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07339","Name":"(3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles and derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07340","Name":"N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07341","Name":"octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07342","Name":"1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.","DirectParent":"N-substituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07343","Name":"4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07344","Name":"3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07345","Name":"4-(2-aminoethyl)-2-cyclohexylphenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol group.","DirectParent":"Cyclohexylphenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cyclohexylphenols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07346","Name":"4-(2-aminoethyl)-2-ethylphenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07347","Name":"4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07348","Name":"1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07349","Name":"(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidylglycerols. These are glycerophosphoglycerols in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages.","DirectParent":"Phosphatidylglycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphoglycerols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07350","Name":"(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07351","Name":"O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07352","Name":"5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavonols. These are compounds that has the 3-hydroxyflavone backbone.","DirectParent":"Flavonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07353","Name":"4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07354","Name":"2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07355","Name":"3-(heptyloxy)benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07356","Name":"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07357","Name":"4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07358","Name":"2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.","DirectParent":"m-Sulfanylbenzoic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07359","Name":"3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.","DirectParent":"Pyridinecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07360","Name":"1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring.","DirectParent":"Thienopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07361","Name":"1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring.","DirectParent":"Thienopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07362","Name":"1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07363","Name":"THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.","DirectParent":"Toluenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Toluenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07364","Name":"6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.","DirectParent":"Phenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07365","Name":"NAPHTHALEN-2-YL-3-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07366","Name":"2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07367","Name":"(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ureides. These are compounds containing an ureide group with the general structure R1-CO-NH-CO-N(R)2R3, formally derived by the acylation of urea.","DirectParent":"Ureides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Carbonic Acids and Derivatives","SubClass":"Ureas"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07368","Name":"4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07369","Name":"N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07370","Name":"(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07371","Name":"3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.","DirectParent":"Anthracenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07372","Name":"ANTHRACENE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.","DirectParent":"Anthracenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07373","Name":"ANDROSTA-1,4-DIENE-3,17-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07374","Name":"ANISOMYCIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07375","Name":"5-BETA-ANDROSTANE-3,17-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07376","Name":"5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07377","Name":"N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07378","Name":"4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07379","Name":"(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07380","Name":"1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07381","Name":"S-Atrolactic Acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07382","Name":"N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07383","Name":"N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07384","Name":"1-ACETYL-2-CARBOXYPIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.","DirectParent":"Piperidinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Piperidinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07385","Name":"3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.","DirectParent":"Phenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07387","Name":"3-(BUTYLSULPHONYL)-PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07388","Name":"ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.","DirectParent":"Piperidinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Piperidinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07389","Name":"N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07390","Name":"2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07391","Name":"(2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxadiazoles. These are organic compounds containing an oxadiazole ring, which is a five-member aromatic heterocycle with two nitrogen atoms, an oxygen atom, and a carbon atom.","DirectParent":"Oxadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Oxadiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07392","Name":"2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.","DirectParent":"Aminotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazines","SubClass":"Aminotriazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07393","Name":"2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07394","Name":"AUROVERTIN B","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.","DirectParent":"Pyranones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyranones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07395","Name":"4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07396","Name":"1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07397","Name":"(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) breaing a ketone group.","DirectParent":"Benzoxazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazines","SubClass":"Benzoxazinones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07398","Name":"2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.","DirectParent":"Thiophene Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":"Thiophene Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07400","Name":"1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07401","Name":"METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07402","Name":"Azapropazone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.","DirectParent":"Aminotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazines","SubClass":"Aminotriazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"experimental":true},"Pathways":null},{"ID":"DB07403","Name":"4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07404","Name":"(1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the m-terphenyls. These are terphenyls whose structure contains the 1,3-diphenylbenzene skeleton.","DirectParent":"m-Terphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Terphenyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07405","Name":"1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07406","Name":"(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.","DirectParent":"Beta Carbolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyridoindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07407","Name":"5-(2-METHOXYPHENYL)-2-FUROIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furoic acid derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.","DirectParent":"Furoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Furoic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07408","Name":"5-(2-NITROPHENYL)-2-FUROIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07409","Name":"(1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-terphenyls. These are terphenyls whose structure contains the 1,4-diphenylbenzene skeleton.","DirectParent":"p-Terphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Terphenyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07410","Name":"[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzofurans.","DirectParent":"Phenylbenzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":"Phenylbenzofurans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07411","Name":"PHENYLALANINE BORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07412","Name":"1-biphenyl-2-ylmethanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07413","Name":"5'-S-[2-(decylamino)ethyl]-5'-thioadenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07414","Name":"(5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07415","Name":"4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07416","Name":"(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diacylglycerols. These are glycerides consisting of two fatty acid chains covalently bonded to a glycerol molecule through ester linkages.","DirectParent":"Diacylglycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerolipids","SubClass":"Diacylglycerols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07418","Name":"bis(4-nitrophenyl) hydrogen phosphate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07419","Name":"(2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07420","Name":"(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07421","Name":"4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07422","Name":"(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07423","Name":"(2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07424","Name":"tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07425","Name":"{4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07426","Name":"[1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the m-terphenyls. These are terphenyls whose structure contains the 1,3-diphenylbenzene skeleton.","DirectParent":"m-Terphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Terphenyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07427","Name":"2-[(2-methoxy-5-methylphenoxy)methyl]pyridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07428","Name":"4-[(5-methoxy-2-methylphenoxy)methyl]pyridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07429","Name":"2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07430","Name":"(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.","DirectParent":"Bipyridines and Oligopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Bipyridines and Oligopyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07431","Name":"(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring.","DirectParent":"Thienodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienodiazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07432","Name":"[[(3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07433","Name":"(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07434","Name":"HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07435","Name":"1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.","DirectParent":"Pyrenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Pyrenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07436","Name":"N-(1-PHENYL-PROPYL)-FORMAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07437","Name":"1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07439","Name":"1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07440","Name":"4-TERT-BUTYLBENZENESULFONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07441","Name":"3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07443","Name":"(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07444","Name":"6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolocarbazoles. These are compounds containing a pyrrolocarbazole moiety, which is a tetracyclic heterocycle which consists of a pyrrole ring fused to a carbazole.","DirectParent":"Pyrrolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07445","Name":"N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.","DirectParent":"Nicotinamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07446","Name":"N-(biphenyl-4-ylsulfonyl)-D-leucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07447","Name":"5-beta-DIHYDROTESTOSTERONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07448","Name":"(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07449","Name":"N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07450","Name":"2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07451","Name":"1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07452","Name":"2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07453","Name":"2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavones. These are flavonoids whose structure is based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).","DirectParent":"Flavones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07454","Name":"(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07455","Name":"N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07456","Name":"3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07457","Name":"3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07458","Name":"3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07459","Name":"4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07460","Name":"2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07461","Name":"3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07462","Name":"(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07463","Name":"(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07464","Name":"1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the salicylic acids. These are ortho-hydroxylated benzoic acids.","DirectParent":"Salicylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07465","Name":"(1S,3S,5S)-2-{(2S)-2-amino-2-[(1R,3S,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl]acetyl}-2-azabicyclo[3.1.0]hexane-3-carbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07466","Name":"(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07467","Name":"4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07468","Name":"(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.","DirectParent":"Pyrroloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Pyrroloquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07469","Name":"(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.","DirectParent":"Pyrroloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Pyrroloquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07470","Name":"(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.","DirectParent":"Pyrroloquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Pyrroloquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07471","Name":"5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07472","Name":"(R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07473","Name":"(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07474","Name":"3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07475","Name":"N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07476","Name":"N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07477","Name":"BIPHENYL-4-YL-ACETALDEHYDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07478","Name":"1,1'-BIPHENYL-3,4-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07479","Name":"(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.","DirectParent":"Phenanthrenes and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Phenanthrenes and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07480","Name":"4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07481","Name":"tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07482","Name":"(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07483","Name":"1,1'-BIPHENYL-2-SULFINIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07484","Name":"(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07485","Name":"4,4'-cyclohexane-1,1-diyldiphenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07486","Name":"3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids.","DirectParent":"Cinnamic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acid Amides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07487","Name":"(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07488","Name":"{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-METHOXYPHENYL)METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07489","Name":"{[4-AMINO-2-(3-CHLOROANILINO)-1,3-THIAZOL-5-YL](4-FLUOROPHENYL)METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07490","Name":"2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07491","Name":"5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.","DirectParent":"m-Phthalic Acid and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07492","Name":"BROMAMPHENICOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07493","Name":"(2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07494","Name":"(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring.","DirectParent":"Dibenzocycloheptenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Dibenzocycloheptenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07495","Name":"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07496","Name":"1,3-DIPHENYLUREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07497","Name":"5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienoimidazolidines. These are heterocyclic compounds containing a thiophene ring fused to an imidazolidine ring.","DirectParent":"Thienoimidazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienoimidazolidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07498","Name":"4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07499","Name":"N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.","DirectParent":"Thiazolecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07500","Name":"(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.","DirectParent":"Chalcones and Dihydrochalcones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Chalcones and Dihydrochalcones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07501","Name":"(2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07502","Name":"4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring.","DirectParent":"Benzisoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzisoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07503","Name":"(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole.","DirectParent":"Benzodioxoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07504","Name":"(2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07505","Name":"N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07506","Name":"L-BENZYLSUCCINIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07507","Name":"2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07508","Name":"4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07509","Name":"difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.","DirectParent":"Substituted Pyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07510","Name":"3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07511","Name":"4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07512","Name":"7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07513","Name":"7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07514","Name":"3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07515","Name":"1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine ring.","DirectParent":"Aminopyrazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07516","Name":"(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07517","Name":"3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoid acid.","DirectParent":"Furanoid Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Heterocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07518","Name":"(2R)-2-ETHYL-1-HEXANESULFONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group.","DirectParent":"Sulfuric Acid Monoesters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Sulfuric Acids and Derivatives","SubClass":"Sulfuric Acid Monoesters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07519","Name":"(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07520","Name":"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07521","Name":"6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07522","Name":"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07524","Name":"N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07525","Name":"3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07526","Name":"N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07527","Name":"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07528","Name":"3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07529","Name":"2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07530","Name":"(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.","DirectParent":"Iridoids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07531","Name":"4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07532","Name":"N-hexanoyl-L-homoserine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07533","Name":"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07534","Name":"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07535","Name":"2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07536","Name":"N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07537","Name":"N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07538","Name":"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07539","Name":"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07540","Name":"4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07541","Name":"4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07542","Name":"5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOBUTYL-HEXANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.","DirectParent":"Delta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07543","Name":"(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07544","Name":"N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07545","Name":"N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07546","Name":"[1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.","DirectParent":"Indazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrazoles","SubClass":"Indazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07547","Name":"5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07548","Name":"2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.","DirectParent":"Pyrazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07549","Name":"2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.","DirectParent":"Pyrazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07550","Name":"2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07551","Name":"2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.","DirectParent":"Aminotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazines","SubClass":"Aminotriazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07552","Name":"2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.","DirectParent":"Aminotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazines","SubClass":"Aminotriazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07553","Name":"9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07555","Name":"1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-arsenocholine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07556","Name":"N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07557","Name":"(5BETA)-PREGNANE-3,20-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07558","Name":"2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07559","Name":"(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moeity.","DirectParent":"Chlorinated Biphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07560","Name":"N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07561","Name":"(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07562","Name":"N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.","DirectParent":"2,4,5-trisubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07563","Name":"1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07564","Name":"6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07565","Name":"CHLORAMPHENICOL SUCCINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07567","Name":"(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoflavanols. These are polycyclic compounds containing an hydroxylated isoflavan skeleton.","DirectParent":"Isoflavanols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Isoflavonoids","SubClass":"Isoflavans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07568","Name":"(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07569","Name":"CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07570","Name":"3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07571","Name":"N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07572","Name":"3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07573","Name":"(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07574","Name":"2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the colchicinoids. These are compounds containing the benzo[a]heptalene based colchicin moiety or a derivative thereof.","DirectParent":"Colchicinoids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Colchicinoids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07575","Name":"2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lignans and norlignans. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties.","DirectParent":"Lignans and Norlignans","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07577","Name":"6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07578","Name":"3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-1-YL)BENZYL]-3H-BENZOTHIAZOL-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07579","Name":"BIS-1,2-{[(Z)-2-CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBAMOYL}-ETHANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.","DirectParent":"1,3-Dioxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dioxanes","SubClass":"1,3-Dioxanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07580","Name":"BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.","DirectParent":"Piperazine Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Piperazine Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07581","Name":"5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.","DirectParent":"Delta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07582","Name":"N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07583","Name":"(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07584","Name":"N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07585","Name":"5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07586","Name":"5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07587","Name":"N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07588","Name":"3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07589","Name":"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07590","Name":"S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07591","Name":"N1-CYCLOPENTYL-N2-(THIAZOL-2-YL)OXALAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07592","Name":"(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07593","Name":"1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07594","Name":"4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07595","Name":"(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07596","Name":"(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.","DirectParent":"Steroids and Steroid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07597","Name":"CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07598","Name":"2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).","DirectParent":"Benzoxazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07599","Name":"[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07601","Name":"4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring.","DirectParent":"Benzisoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzisoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07602","Name":"S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07603","Name":"N-hexanoyl-L-homocysteine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07604","Name":"(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindoles and derivatives. These are polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring.","DirectParent":"Isoindoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07605","Name":"2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.","DirectParent":"Thienopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07606","Name":"6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07607","Name":"4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07608","Name":"N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07609","Name":"N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07610","Name":"NAPHTHALENE-1,2-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07611","Name":"DECANE-1-THIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07612","Name":"6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07613","Name":"3-phenyl-5-(1H-pyrazol-3-yl)isoxazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07614","Name":"PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.","DirectParent":"2,5-disubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07615","Name":"2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids.","DirectParent":"Cinnamic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acid Amides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07616","Name":"4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylthiazoles. These are compounds containing a phenylthiazole moiety, which consists of an thiazole ring attacthed to a phenyl group.","DirectParent":"Phenylthiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07617","Name":"N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07618","Name":"2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07619","Name":"N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07620","Name":"2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07621","Name":"(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07622","Name":"1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.","DirectParent":"2,4,5-trisubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07623","Name":"4,4'-DIPYRIDYL DISULFIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07624","Name":"1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07625","Name":"4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07626","Name":"4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07627","Name":"(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07628","Name":"6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridazinones. These are compounds containing a pyridazine ring which bears a ketone.","DirectParent":"Pyridazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyridazines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07629","Name":"N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07630","Name":"N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07631","Name":"N-DODECYL-N,N-DIMETHYLGLYCINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07632","Name":"5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07633","Name":"octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07634","Name":"(2,6-DIMETHYL-PHENOXY)-ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07635","Name":"bis(4-hydroxyphenyl)methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07636","Name":"5-HEPTYL-6-HYDROXY-1,3-BENZOTHIAZOLE-4,7-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-quinones.","DirectParent":"p-Quinones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07637","Name":"3,5 DIBROMOTYROSINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07638","Name":"(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07639","Name":"3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07640","Name":"2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).","DirectParent":"Ubiquinones","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Quinone and Hydroquinone Lipids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07641","Name":"DECYL(DIMETHYL)PHOSPHINE OXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07642","Name":"5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07643","Name":"5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07644","Name":"5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07645","Name":"SEBACIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07646","Name":"UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07647","Name":"(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07648","Name":"(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07649","Name":"(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07650","Name":"DECYL FORMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carboxylic acid esters. These are carboxylic acid derivatives in which the carbo atom from the carbonyl group is atached to an alkyl or oaryl moiety through an oxygen atom (forming an ester group).","DirectParent":"Carboxylic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07651","Name":"N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07652","Name":"1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07653","Name":"N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07654","Name":"(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07655","Name":"3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07656","Name":"N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07657","Name":"PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07658","Name":"AC-(D)PHE-PRO-BOROLYS-OH","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07659","Name":"AC-(D)PHE-PRO-BOROHOMOLYS-OH","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07660","Name":"AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07661","Name":"1,6-DIHYDROXY NAPHTHALENE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07662","Name":"N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07663","Name":"2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07664","Name":"5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07665","Name":"N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.","DirectParent":"Benzonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzonitriles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07666","Name":"(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07667","Name":"2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07668","Name":"3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-2-METHYL-PROPIONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumaric acids. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C4 carbon atom of the benzene ring.","DirectParent":"Coumaric Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Hydroxycinnamic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07669","Name":"2,3-DIMETHYL-1,4-NAPHTHOQUINONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring fused to a bezene-1,4-dione (quinone).","DirectParent":"Naphthoquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07670","Name":"4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07671","Name":"2-[1-METHYLHEXYL]-4,6-DINITROPHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07672","Name":"TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07673","Name":"DEAMINO-METHYL-PHENYLALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07674","Name":"O,O-DIETHYL HYDROGEN THIOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids and derivatives. These are organic compounds containing phosphonic acid or a derivative thereof.","DirectParent":"Organic Phosphonic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07675","Name":"(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-substituted phenoxazines. These are phenoxyazines where the nitrogen atom is linked to an atom other than the hydrogen atom.","DirectParent":"N-substituted Phenoxazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazines","SubClass":"Phenoxazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07676","Name":"3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07677","Name":"2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.","DirectParent":"Pyranopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyranopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07678","Name":"(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07679","Name":"(9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07680","Name":"[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07681","Name":"DODECANESULFONATE ION","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfonic acids and derivatives. These are compounds containing a sulfonic acid or derivative, with the general structure RS(=O)2X (R=alkyl,aryl; X=any heteroatom).","DirectParent":"Sulfonic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Sulfonic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07683","Name":"N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07684","Name":"5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07685","Name":"4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07686","Name":"4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07687","Name":"4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07688","Name":"4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07689","Name":"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07690","Name":"(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.","DirectParent":"Dihydroxy Bile Acids, Alcohols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07691","Name":"2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07692","Name":"1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07693","Name":"N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07694","Name":"2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07695","Name":"N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07696","Name":"methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.","DirectParent":"Gamma Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Gamma Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07697","Name":"1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07698","Name":"3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07700","Name":"3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.","DirectParent":"Steroids and Steroid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07701","Name":"1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07702","Name":"(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07703","Name":"(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07704","Name":"6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07705","Name":"1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07706","Name":"2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07707","Name":"(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by an hydroxyl group.","DirectParent":"Hydroxysteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Hydroxysteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07708","Name":"3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07710","Name":"PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07711","Name":"(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07712","Name":"3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07713","Name":"(1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07714","Name":"6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring fused to a bezene-1,4-dione (quinone).","DirectParent":"Naphthoquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07715","Name":"3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxyanthraquinones. These are compounds containing an hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and and hydroxyl group.","DirectParent":"Hydroxyanthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07716","Name":"(4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07717","Name":"(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ketosteroids. These are steroid derivatives comprising a ketone group attached to steroid skeleton.","DirectParent":"Ketosteroids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Ketosteroids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07718","Name":"3-(4-HYDROXY-PHENYL)PYRUVIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.","DirectParent":"Phenylpyruvic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpyruvic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07719","Name":"3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07720","Name":"EPIBATIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the epibatidine analogues. These are compounds containing an epibatidine moiety, whose structure is characterized by a 2-chloropyridine moiety connected to an 7-azabicyclo[2.2.1]heptane in exo position.","DirectParent":"Epibatidine Analogues","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Epibatidine Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07721","Name":"DIETHYL 4-METHOXYPHENYL PHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07722","Name":"3-(4-NITRO-PHENOXY)-PROPAN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07723","Name":"3-(5-methoxy-1H-indol-3-yl)propanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07724","Name":"3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07726","Name":"2-tert-butylbenzene-1,4-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.","DirectParent":"Cumenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Cumenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07728","Name":"2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07729","Name":"3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07730","Name":"5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07731","Name":"4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminophenols. These are organic compounds containing an amino group attached to a phenol.","DirectParent":"Aminophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07732","Name":"2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07733","Name":"1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.","DirectParent":"Thiophene Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":"Thiophene Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07734","Name":"N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07735","Name":"N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07736","Name":"(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperazine carboxamides. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxamide group.","DirectParent":"Piperazine Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Piperazine Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07737","Name":"(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperazine carboxamides. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxamide group.","DirectParent":"Piperazine Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Piperazine Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07738","Name":"N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07739","Name":"(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07740","Name":"(3R,5S,7R,12S,13R)-13-FORMYL-12,14-DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxy fatty acids. These are fatty acids in which the chain bears an hydroxyl group.","DirectParent":"Hydroxy Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Hydroxy Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07741","Name":"4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07742","Name":"N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07743","Name":"S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07744","Name":"3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07745","Name":"2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07746","Name":"3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07747","Name":"(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07748","Name":"2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07749","Name":"2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07750","Name":"(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07751","Name":"(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07752","Name":"FARNESYL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07753","Name":"3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07754","Name":"N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07755","Name":"(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07756","Name":"1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07757","Name":"(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.","DirectParent":"Fluorenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Fluorenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07758","Name":"5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furoic acid derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.","DirectParent":"Furoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Furoic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07759","Name":"5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furoic acid derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.","DirectParent":"Furoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Furoic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07760","Name":"3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07761","Name":"(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07762","Name":"4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07763","Name":"(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of an hydrazide substituent attacthed to a phenyl group.","DirectParent":"Phenylhydrazines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylhydrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07764","Name":"FLUORESCIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the neoflavonoids. These are compounds whose structure is based on the 4-phenylchromen backbone.","DirectParent":"Neoflavonoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Neoflavonoids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07765","Name":"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07766","Name":"(2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07767","Name":"3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07768","Name":"(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07769","Name":"S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07770","Name":"5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07771","Name":"[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07772","Name":"(1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07773","Name":"5-FLUOROINDOLE PROPANOL PHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07775","Name":"3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan.","DirectParent":"Benzofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzofurans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07776","Name":"2-PHENYL-4H-CHROMEN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavones. These are flavonoids whose structure is based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).","DirectParent":"Flavones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07778","Name":"FAMOXADONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07779","Name":"N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07780","Name":"FARNESYL DIPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07781","Name":"N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07782","Name":"4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07783","Name":"1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07784","Name":"[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07785","Name":"1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07786","Name":"1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom).","DirectParent":"Benzoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07787","Name":"5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07788","Name":"(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the zearalenones. These are macrolides which contains a fourteen-member lactone fused to 1,3-dihydroxybenzene.","DirectParent":"Zearalenones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":"Zearalenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07789","Name":"1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07790","Name":"N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07791","Name":"4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07792","Name":"(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07793","Name":"(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07794","Name":"5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07795","Name":"3,7,3',4'-TETRAHYDROXYFLAVONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavonols. These are compounds that has the 3-hydroxyflavone backbone.","DirectParent":"Flavonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07796","Name":"(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07797","Name":"N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07798","Name":"(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07800","Name":"N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07801","Name":"N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07802","Name":"3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07803","Name":"2-phenyl-1H-imidazole-4-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07804","Name":"5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.","DirectParent":"Morpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07805","Name":"3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07806","Name":"(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07807","Name":"(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07808","Name":"(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07809","Name":"4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.","DirectParent":"Pyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07810","Name":"3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.","DirectParent":"Chalcones and Dihydrochalcones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Chalcones and Dihydrochalcones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07811","Name":"N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07812","Name":"N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07813","Name":"GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07814","Name":"GIBBERELLIN A3","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.","DirectParent":"Cyclohexanols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07815","Name":"GIBBERELLIN A4","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxepanes. These are compounds containing an oxepane ring, which is a a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.","DirectParent":"Oxepanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxepanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07816","Name":"N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07817","Name":"1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.","DirectParent":"Pyridinylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Pyridinylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07818","Name":"(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids.","DirectParent":"Cinnamic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acid Amides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07819","Name":"(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids.","DirectParent":"Cinnamic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acid Amides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07820","Name":"6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07821","Name":"(1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07822","Name":"(1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07823","Name":"(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07824","Name":"4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolones. These are compounds containing a pyrazole ring which bears a ketone.","DirectParent":"Pyrazolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolines","SubClass":"Pyrazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07825","Name":"(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07826","Name":"2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07827","Name":"4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07829","Name":"4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07830","Name":"(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07831","Name":"2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07832","Name":"4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07833","Name":"N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07834","Name":"N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07835","Name":"N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07836","Name":"1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organophosphate esters. These are organic compounds containing phosphoric acid ester functional group.","DirectParent":"Organophosphate Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphoric Acids and Derivatives","SubClass":"Organophosphate Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07837","Name":"[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.","DirectParent":"Phenylpyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrroles","SubClass":"Substituted Pyrroles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07838","Name":"(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07839","Name":"N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07840","Name":"(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07841","Name":"GERANYLGERANYL DIPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acyclic diterpenes. These are diterpenes (compounds made of four consecutive isoprene units) that do not contain a cycle.","DirectParent":"Acyclic Diterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Diterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07842","Name":"(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.","DirectParent":"Phenylpyruvic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpyruvic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07843","Name":"5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07844","Name":"6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07845","Name":"2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07846","Name":"1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole.","DirectParent":"Pyrroloindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyrroloindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07847","Name":"6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07848","Name":"5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07849","Name":"S-NONYL-CYSTEINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07850","Name":"(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.","DirectParent":"Triazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07851","Name":"(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07852","Name":"1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07853","Name":"[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07854","Name":"N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07855","Name":"(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07856","Name":"6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07857","Name":"(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07858","Name":"(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07859","Name":"4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07860","Name":"(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07861","Name":"(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07862","Name":"7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07863","Name":"2-chloro-5-nitro-N-phenylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07864","Name":"4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluoroquinolones. These are compounds containing a fluorine atom attached to a quinolone.","DirectParent":"Fluoroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07865","Name":"3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetrazoles. These are organic compounds containing a tetrazole ring, which is a five-member aromatic heterocycle made up of four nitrogen atoms and a one carbon atom.","DirectParent":"Tetrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07866","Name":"(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms.","DirectParent":"Thiazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolines","SubClass":"Thiazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07867","Name":"6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07868","Name":"6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07869","Name":"6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07870","Name":"(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]OXY}PHENOXY)PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07871","Name":"6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroquinolones. These are compounds containing an hydrogenated quinoline bearing a ketone group.","DirectParent":"Hydroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07872","Name":"5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07873","Name":"(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07874","Name":"(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07875","Name":"5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07876","Name":"(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07877","Name":"8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07878","Name":"N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07879","Name":"N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07880","Name":"2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07881","Name":"N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07882","Name":"4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07883","Name":"(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.","DirectParent":"Linear Diarylheptanoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Diarylheptanoids","SubClass":"Linear Diarylheptanoids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07884","Name":"ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07885","Name":"(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07886","Name":"(11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07887","Name":"(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07888","Name":"3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07889","Name":"1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07890","Name":"4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07891","Name":"4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07892","Name":"1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07893","Name":"PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07894","Name":"4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-fluorophenols.","DirectParent":"p-Fluorophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07895","Name":"ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07896","Name":"(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07897","Name":"1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hemiaminals. These are compounds comprising the hemiaminal functional group, with the general formula R2C(OH)NR2.","DirectParent":"Hemiaminals","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Alkanolamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07898","Name":"2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty acid esters. These are carboxylic ester derivatives of a fatty acid.","DirectParent":"Fatty Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acid Esters","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07899","Name":"(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07900","Name":"3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07901","Name":"5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.","DirectParent":"Pyridinylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07902","Name":"TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.","DirectParent":"Pyridinecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07903","Name":"3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.","DirectParent":"Pyridinecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07905","Name":"(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the zearalenones. These are macrolides which contains a fourteen-member lactone fused to 1,3-dihydroxybenzene.","DirectParent":"Zearalenones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":"Zearalenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07906","Name":"[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07907","Name":"(2S)-2-HYDROXYOCTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.","DirectParent":"Medium-chain Hydroxy Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Hydroxy Acids and Derivatives","SubClass":"Medium-chain Hydroxy Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07908","Name":"7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07909","Name":"(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07910","Name":"PHENYLALANINDIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07911","Name":"(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07912","Name":"2-OXOHEPTYLPHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07913","Name":"HOMOPHENYLALANINYLMETHANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07914","Name":"(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07915","Name":"(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07916","Name":"3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups.","DirectParent":"Quinoline Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07917","Name":"4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.","DirectParent":"Diphenylmethanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Diphenylmethanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07918","Name":"2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 4-hydroxy-2-alkylquinolines. These are organic compounds containing a quinoline moeity with an hydroxyl group attached to the C4 atom, and an alkyl chain attached to the C2 atom.","DirectParent":"4-Hydroxy-2-Alkylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"4-Hydroxy-2-Alkylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07919","Name":"7-METHOXY-1-METHYL-9H-BETA-CARBOLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the harmala alkaloids. These are compounds whose structure is based on harmaline, harmine, harmalol, harman or a derivative of those parents.","DirectParent":"Harmala Alkaloids","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"Harmala Alkaloids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07920","Name":"N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07921","Name":"2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07922","Name":"N-oxo-2-(phenylsulfonylamino)ethanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07923","Name":"octyl alpha-L-altropyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07924","Name":"octyl beta-D-galactopyranoside","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl glycosides. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol.","DirectParent":"Alkyl Glycosides","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Alkyl Glycosides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07925","Name":"4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07926","Name":"N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07927","Name":"3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07928","Name":"N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07929","Name":"N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.","DirectParent":"Benzo-1,4-dioxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxanes","SubClass":"Benzo-1,4-dioxanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07930","Name":"(3R)-3-HYDROXYDODECANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxy fatty acids. These are fatty acids in which the chain bears an hydroxyl group.","DirectParent":"Hydroxy Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Hydroxy Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07931","Name":"4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07932","Name":"dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07933","Name":"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07934","Name":"[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07935","Name":"5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07936","Name":"N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07937","Name":"2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07938","Name":"5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-chroman-5-yl]methyl]pyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07939","Name":"N-(3-MERCAPTOPROPANOYL)-D-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07940","Name":"9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring.","DirectParent":"Acridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07941","Name":"3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07942","Name":"2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07943","Name":"2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07944","Name":"N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07945","Name":"5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07946","Name":"N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07947","Name":"ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07949","Name":"({[(3E)-2'-OXO-2',7'-DIHYDRO-2,3'-BIINDOL-3(7H)-YLIDENE]AMINO}OXY)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles and derivatives. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07950","Name":"1H-INDOL-3-YLACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.","DirectParent":"Indole-3-acetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07951","Name":"N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07952","Name":"N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07953","Name":"N-[1H-INDOL-3-YL-ACETYL]VALINE ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07954","Name":"3-ISOBUTYL-1-METHYLXANTHINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07955","Name":"(2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07956","Name":"[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07957","Name":"METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07958","Name":"(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-INDOL-7-YL)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.","DirectParent":"Indolyl Carboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolyl Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07959","Name":"3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07960","Name":"5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.","DirectParent":"Pyranoid Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Sugar Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07961","Name":"1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.","DirectParent":"Benzonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzonitriles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07962","Name":"METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07963","Name":"N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07964","Name":"(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07965","Name":"6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07966","Name":"[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07967","Name":"9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07968","Name":"N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxyphenols and derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.","DirectParent":"Methoxyphenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07969","Name":"3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.","DirectParent":"Quinoxalines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinoxalines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07970","Name":"5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07971","Name":"5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07972","Name":"1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.","DirectParent":"Phenylbenzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":"Phenylbenzimidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07973","Name":"N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07974","Name":"1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07975","Name":"2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07976","Name":"3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07977","Name":"3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07978","Name":"2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07979","Name":"(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07980","Name":"(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07981","Name":"2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moeity through the acyl group.","DirectParent":"Benzoylindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Benzoylindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07982","Name":"2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07983","Name":"1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moeity through the acyl group.","DirectParent":"Benzoylindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Benzoylindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07984","Name":"2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moeity through the acyl group.","DirectParent":"Benzoylindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Benzoylindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07985","Name":"+/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lignans and norlignans. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties.","DirectParent":"Lignans and Norlignans","Kingdom":"Organic Compounds","SuperClass":"Lignans and Norlignans","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07986","Name":"[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07987","Name":"[2-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YLCARBAMOYL)-1-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07988","Name":"2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2YL)-UREIDO]-N-METHYL-3-PENTAFLUOROPHENYL-PROPIONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07989","Name":"2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07990","Name":"(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07991","Name":"N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07992","Name":"3-SULFOOXY-1H-INDOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07993","Name":"N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07994","Name":"N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07995","Name":"N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07996","Name":"1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07997","Name":"N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB07999","Name":"{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08000","Name":"2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08001","Name":"5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08003","Name":"ISOTHIAZOLIDINONE ANALOG","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08004","Name":"(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08005","Name":"4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.","DirectParent":"Piperidinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Piperidinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08006","Name":"N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.","DirectParent":"Anthracenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08007","Name":"(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08008","Name":"5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring.","DirectParent":"Triazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08009","Name":"5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08010","Name":"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08011","Name":"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring.","DirectParent":"Benzo-1,3-dioxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxanes","SubClass":"Benzo-1,3-dioxanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08012","Name":"(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08013","Name":"(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08014","Name":"(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08015","Name":"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring.","DirectParent":"Benzo-1,3-dioxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodioxanes","SubClass":"Benzo-1,3-dioxanes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08016","Name":"4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the halopyrimidines. These are aromatic compounds containing an halogen atom linked to a pyrimidine ring.","DirectParent":"Halopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08017","Name":"3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08018","Name":"N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08019","Name":"N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08020","Name":"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08021","Name":"5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.","DirectParent":"Phenylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Phenylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08022","Name":"(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08023","Name":"N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08024","Name":"1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08025","Name":"N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.","DirectParent":"Bipyridines and Oligopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Bipyridines and Oligopyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08026","Name":"2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08027","Name":"1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08028","Name":"BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08029","Name":"N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08030","Name":"3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.","DirectParent":"Biphenylcarbonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08031","Name":"N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08032","Name":"N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.","DirectParent":"Thiophene Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":"Thiophene Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08033","Name":"(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.","DirectParent":"Thiophene Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":"Thiophene Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08034","Name":"(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08035","Name":"1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08036","Name":"6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.","DirectParent":"Indolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08037","Name":"(2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.","DirectParent":"Phenylpyrrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolines","SubClass":"Phenylpyrrolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08038","Name":"L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08039","Name":"(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08040","Name":"N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08041","Name":"3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08042","Name":"N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.","DirectParent":"Indazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrazoles","SubClass":"Indazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08043","Name":"1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08044","Name":"(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08045","Name":"4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08046","Name":"2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08047","Name":"4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08048","Name":"4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08049","Name":"7,8-dihydroxy-4-phenyl-2H-chromen-2-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the neoflavones. These are neoflavonoids whose structure is based on the 4-phenylcoumarin skeleton.","DirectParent":"Neoflavones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Neoflavonoids","SubClass":"Neoflavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08050","Name":"5-PHENYL-2-KETO-VALERIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbocyclic fatty acids. These are fatty acids contaning a carbocylic ring .","DirectParent":"Carbocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Carbocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08051","Name":"(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08052","Name":"1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.","DirectParent":"Pyrazolylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyrazolylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08053","Name":"1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08054","Name":"1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.","DirectParent":"Quinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08055","Name":"N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08056","Name":"N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.","DirectParent":"Toluenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Toluenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08057","Name":"N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.","DirectParent":"Quinoxalines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinoxalines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08058","Name":"4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08059","Name":"(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the other steroids and derivatives.","DirectParent":"Other Steroids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Other Steroids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08060","Name":"4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.","DirectParent":"Butyrophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Butyrophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08061","Name":"4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08062","Name":"3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08063","Name":"1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08064","Name":"N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08065","Name":"2-(1H-pyrazol-3-yl)-1H-benzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08066","Name":"N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08067","Name":"4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08068","Name":"N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08069","Name":"4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08070","Name":"2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08071","Name":"(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08072","Name":"4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08073","Name":"(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08074","Name":"3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08075","Name":"4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 4 only.","DirectParent":"2,4-disubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08076","Name":"4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at exactly three different positions.","DirectParent":"Trisubstituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08077","Name":"2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08078","Name":"{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08079","Name":"7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.","DirectParent":"Quinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08080","Name":"LATRUNCULIN B","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08081","Name":"3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08082","Name":"N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08083","Name":"2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08084","Name":"IDD594","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08085","Name":"1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08086","Name":"N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08087","Name":"4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.","DirectParent":"Hydantoins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08088","Name":"2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.","DirectParent":"Benzonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzonitriles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08089","Name":"6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.","DirectParent":"Aminoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Aminoquinolines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08090","Name":"(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ureides. These are compounds containing an ureide group with the general structure R1-CO-NH-CO-N(R)2R3, formally derived by the acylation of urea.","DirectParent":"Ureides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Organic Carbonic Acids and Derivatives","SubClass":"Ureas"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08091","Name":"3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08092","Name":"3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide is a solid. This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. This drug targets mitogen-activated protein kinase 14.","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08093","Name":"3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08094","Name":"(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the salicylic acid and derivatives. These are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof.","DirectParent":"Salicylic Acid and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08095","Name":"3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08096","Name":"8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08097","Name":"2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08098","Name":"[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid","DrugType":"small molecule","HalfLife":"","Description":"{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid is a solid. This compound belongs to the nitrofurans. These are compounds containing a furan ring which bears a nitro group. {[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid targets the protein aldose reductase.","Classification":{"Description":"This compound belongs to the nitrofurans. These are compounds containing a furan ring which bears a nitro group.","DirectParent":"Nitrofurans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Nitrofurans"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08099","Name":"6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine is a solid. This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. This substance targets the protein renin.","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08100","Name":"2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08101","Name":"2,6-dibromo-4-[(E)-2-phenylethenyl]phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08102","Name":"3,5-dibromobiphenyl-4-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.","DirectParent":"Brominated Biphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08103","Name":"2,6-dibromo-4-phenoxyphenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bromodiphenyl ethers. These are ether derivatives of bromodiphenyl.","DirectParent":"Bromodiphenyl Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Bromodiphenyl Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08104","Name":"N-(3,5-dibromo-4-hydroxyphenyl)benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08105","Name":"N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08106","Name":"N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-D-GLUTAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08107","Name":"N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08108","Name":"N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08109","Name":"(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindoles. These are heteropolycyclic compounds whose structure contain isoindole, a benzo-fused pyrrole.","DirectParent":"Isoindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08110","Name":"(1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindoles. These are heteropolycyclic compounds whose structure contain isoindole, a benzo-fused pyrrole.","DirectParent":"Isoindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08111","Name":"4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the triazolopyridazines. These are polycyclic compounds containing a triazole fused to a pyridazine.","DirectParent":"Triazolopyridazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazolopyridazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08112","Name":"N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08113","Name":"3-pyridin-4-yl-1H-indazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.","DirectParent":"Indazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrazoles","SubClass":"Indazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08114","Name":"5-benzyl-1,3-thiazol-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.","DirectParent":"2,5-disubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08115","Name":"2-aminoethyl naphthalen-1-ylacetate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08116","Name":"(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08118","Name":"2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.","DirectParent":"m-Sulfanylbenzoic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08119","Name":"1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08120","Name":"6,8-DIMERCAPTO-OCTANOIC ACID AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.","DirectParent":"N-acyl Amines","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Amides","SubClass":"N-acyl Amines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08121","Name":"(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08122","Name":"N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08123","Name":"N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08124","Name":"3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08125","Name":"4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08126","Name":"3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08127","Name":"1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08128","Name":"(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08129","Name":"(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08130","Name":"N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.","DirectParent":"Iodobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08131","Name":"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08132","Name":"5-hydroxynaphthalene-1-sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08133","Name":"N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08134","Name":"4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08135","Name":"N-phenyl-1H-pyrazole-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08136","Name":"4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08137","Name":"(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08138","Name":"{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08139","Name":"5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08140","Name":"5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08141","Name":"4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08142","Name":"4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08143","Name":"5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08144","Name":"6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08145","Name":"6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08146","Name":"7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08147","Name":"4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.","DirectParent":"Butyrophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Butyrophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08148","Name":"1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08149","Name":"1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08150","Name":"4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08151","Name":"(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08152","Name":"{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08153","Name":"(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08154","Name":"3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08155","Name":"N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08156","Name":"3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08157","Name":"ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08158","Name":"2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-BETA-D-MANNOPYRANOSIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08159","Name":"4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.","DirectParent":"Benzylisoquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Benzylisoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08160","Name":"(2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.","DirectParent":"Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08161","Name":"(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbocyclic fatty acids. These are fatty acids contaning a carbocylic ring .","DirectParent":"Carbocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Carbocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08162","Name":"5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08163","Name":"5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08164","Name":"(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08165","Name":"indane-5-sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08166","Name":"(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.","DirectParent":"Beta Carbolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyridoindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08167","Name":"3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08168","Name":"7-AMINO-4-METHYL-CHROMEN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08169","Name":"(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08170","Name":"(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08171","Name":"11-MERCAPTOUNDECANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08172","Name":"(2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moeity.","DirectParent":"Chlorinated Biphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08173","Name":"5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08174","Name":"5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08175","Name":"(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08176","Name":"(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08177","Name":"(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08178","Name":"4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08179","Name":"methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08180","Name":"2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sesquiterpenes. These are terpenes with three consecutive isoprene units.","DirectParent":"Sesquiterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Sesquiterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08181","Name":"2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08182","Name":"4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08183","Name":"3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08184","Name":"2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08185","Name":"2-METHYLTHIO-N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08186","Name":"(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08187","Name":"METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08188","Name":"6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08190","Name":"N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the serotonins. These are compounds containing a serotonin moiety, which conists of an indole that bears an aminoethyl a position 2 and an hydroxyl group at position 5.","DirectParent":"Serotonins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08191","Name":"4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08192","Name":"2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08193","Name":"2-(3-NITROPHENYL)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08194","Name":"4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.","DirectParent":"Pyranopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyranopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08195","Name":"(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid groups.","DirectParent":"Morpholine Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08196","Name":"2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08197","Name":"(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08198","Name":"[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chalcones and dihydrochalcones. These are organic compounds containing 1,3-Diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar,or its derivatives formed by substitution.","DirectParent":"Chalcones and Dihydrochalcones","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Chalcones and Dihydrochalcones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08199","Name":"N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08200","Name":"(1R)-MENTHYL HEXYL PHOSPHONATE GROUP","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monocyclic monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain.","DirectParent":"Monocyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08201","Name":"(1S)-MENTHYL HEXYL PHOSPHONATE GROUP","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monocyclic monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain.","DirectParent":"Monocyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08202","Name":"4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08203","Name":"7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08204","Name":"3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08205","Name":"4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom).","DirectParent":"Benzoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08206","Name":"4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom).","DirectParent":"Benzoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08207","Name":"2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom).","DirectParent":"Benzoxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08208","Name":"2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08209","Name":"2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08210","Name":"2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.","DirectParent":"m-Sulfanylbenzoic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08211","Name":"5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08212","Name":"1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the methoxyphenols and derivatives. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.","DirectParent":"Methoxyphenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08213","Name":"1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08214","Name":"4-(1H-IMIDAZOL-1-YL)PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08215","Name":"2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.","DirectParent":"Aminotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazines","SubClass":"Aminotriazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08216","Name":"2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08217","Name":"2,2,5,5-TETRAMETHYL-3-(SULFANYLMETHYL)-2,5-DIHYDRO-1H-PYRROL-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.","DirectParent":"Pyrrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08218","Name":"HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08219","Name":"4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08220","Name":"(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08221","Name":"N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08222","Name":"METHOXYUNDECYLPHOSPHINIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphonic acid esters. These are organic compounds containing phosphonic acid ester functional group.","DirectParent":"Phosphonic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Phosphonic Acid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08223","Name":"N-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-N'-METHYLSUCCINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08224","Name":"(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the delta valerolactones. These are cyclic organic compounds containing a 1-hydroxy-3,4,5,6-tetrahydro-1,2-thiazin-1- one moiety.","DirectParent":"Delta Valerolactones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactones","SubClass":"Delta Valerolactones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08226","Name":"Myxopyronin B","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.","DirectParent":"Pyranones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyranones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08227","Name":"1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopiperidines.","DirectParent":"Aminopiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Aminopiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08228","Name":"5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group.","DirectParent":"Hydroxyquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroxyquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08229","Name":"[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08230","Name":"5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the flavonols. These are compounds that has the 3-hydroxyflavone backbone.","DirectParent":"Flavonols","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"Flavones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08231","Name":"MYRISTIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08232","Name":"{5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08233","Name":"6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08234","Name":"5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08235","Name":"N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08236","Name":"(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the p-chlorophenols.","DirectParent":"p-Chlorophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08237","Name":"2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.","DirectParent":"Purine Ribonucleoside Monophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08238","Name":"5-AMINO-NAPHTALENE-2-MONOSULFONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08239","Name":"(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.","DirectParent":"Phenylpyrrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolines","SubClass":"Phenylpyrrolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08240","Name":"N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxamides. These are polycyclic compounds structurally characterized by a naphthalene moiety bearing at least on carboxamide group.","DirectParent":"Naphthalenecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08241","Name":"4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08242","Name":"N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08244","Name":"(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08245","Name":"1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indole nucleosides and nucleotides. These are compounds in which the C-1 of a ribosyl moiety is N-linked to the pyrrole ring of an indole.","DirectParent":"Indole Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08246","Name":"(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.","DirectParent":"Phenylpyrrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolines","SubClass":"Phenylpyrrolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08247","Name":"6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08248","Name":"3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08249","Name":"3,6,9,12,15-PENTAOXATRICOSAN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08250","Name":"(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08251","Name":"4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08252","Name":"2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthols and derivatives. These are hydroxylated naphthalenes.","DirectParent":"Naphthols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08253","Name":"NAM NAPTHYLAMINOALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08254","Name":"2-NAPHTHALENESULFONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08255","Name":"(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxanes. These are compounds containing an oxane(tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.","DirectParent":"Oxanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08256","Name":"N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids.","DirectParent":"N-carbamoyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08257","Name":"4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08258","Name":"6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbocyclic fatty acids. These are fatty acids contaning a carbocylic ring .","DirectParent":"Carbocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Carbocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08259","Name":"7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbocyclic fatty acids. These are fatty acids contaning a carbocylic ring .","DirectParent":"Carbocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Carbocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08260","Name":"(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide","DrugType":"small molecule","HalfLife":"","Description":"(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide is a solid. This compound belongs to the oxepanes. These are compounds containing an oxepane ring, which is an a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. This drug targets the protein beta-glucosidase A.","Classification":{"Description":"This compound belongs to the oxepanes. These are compounds containing an oxepane ring, which is a a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.","DirectParent":"Oxepanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxepanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08261","Name":"2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester","DrugType":"small molecule","HalfLife":"","Description":"2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester is a solid. This compound belongs to the naphthalenecarboxylic acids and derivatives. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group or a derivative. This drug targets the protein neocarzinostatin.","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids and derivatives. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group or a derivative.","DirectParent":"Naphthalenecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08262","Name":"2,6-dicarboxynaphthalene","DrugType":"small molecule","HalfLife":"","Description":"2,6-dicarboxynaphthalene is a solid. This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group. This drug targets the proteins hemoglobin subunit alpha and hemoglobin subunit beta.","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08263","Name":"N-(carboxycarbonyl)-D-phenylalanine","DrugType":"small molecule","HalfLife":"","Description":"N-(carboxycarbonyl)-D-phenylalanine is a solid. This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. It targets the protein hypoxia-inducible factor 1-alpha inhibitor.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08264","Name":"(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene","DrugType":"small molecule","HalfLife":"","Description":"(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Known drug targets of (1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene include naphthalene 1,2-dioxygenase subunit beta and naphthalene 1,2-dioxygenase subunit alpha.","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08265","Name":"2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08266","Name":"methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihydropyranones. These are compounds containing an hydrogenated pyran ring which bears a ketone, and contains one double bond.","DirectParent":"Dihydropyranones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyranones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08267","Name":"6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","DrugType":"small molecule","HalfLife":"","Description":"6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one is a solid. This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. It is known to target queuine tRNA-ribosyltransferase.","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08268","Name":"6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08270","Name":"N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08271","Name":"N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08272","Name":"(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08273","Name":"4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08274","Name":"6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.","DirectParent":"Pyranones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyranones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08275","Name":"N-DODECANOYL-L-TYROSINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08276","Name":"N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.","DirectParent":"Organic Pyrophosphates","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Organic Oxoanionic Compounds","SubClass":"Organic Pyrophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08277","Name":"2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08278","Name":"1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluoroquinolones. These are compounds containing a fluorine atom attached to a quinolone.","DirectParent":"Fluoroquinolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08279","Name":"3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.","DirectParent":"Thiophene Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":"Thiophene Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08280","Name":"(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08281","Name":"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08282","Name":"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08283","Name":"(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.","DirectParent":"Piperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08284","Name":"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08285","Name":"(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine.","DirectParent":"Pyrazolotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolotriazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08286","Name":"NAPHTHYLOXYACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08287","Name":"(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08288","Name":"CYCLOHEXYL-NORSTATINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08289","Name":"N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08291","Name":"N-(3-AMINOPROPYL)-2-NITROBENZENAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08292","Name":"(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08293","Name":"(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08294","Name":"2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08295","Name":"4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08296","Name":"5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08297","Name":"ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.","DirectParent":"O-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08298","Name":"(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08299","Name":"4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08300","Name":"1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08301","Name":"N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08302","Name":"3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08303","Name":"(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08304","Name":"(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08305","Name":"(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08306","Name":"3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08307","Name":"2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08308","Name":"SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08309","Name":"3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.","DirectParent":"Hypoxanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08310","Name":"N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08312","Name":"6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Aminopyrimidines play an important role in biological processes, since the pyrimidine ring is present in several vitamins, nucleic acids, and coenzymes.","DirectParent":"Aminopyrimidines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08313","Name":"nocodazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08314","Name":"(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08315","Name":"2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,5-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 5 only.","DirectParent":"2,5-disubstituted Oxazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Oxazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08316","Name":"4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08317","Name":"5-methyl-6-phenylquinazoline-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08318","Name":"6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08319","Name":"2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08320","Name":"DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08321","Name":"(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitols and derivatives. These are cyclitols with at least one hydroxyl group replace by an amino group.","DirectParent":"Aminocyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08322","Name":"2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08323","Name":"3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08324","Name":"N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08325","Name":"2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08326","Name":"2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08327","Name":"2-(3,6-DIHYDROXYPHENYL)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08328","Name":"PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08329","Name":"SULTHIAME","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08330","Name":"METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08331","Name":"N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08332","Name":"[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.","DirectParent":"Anthracenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08333","Name":"4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08334","Name":"3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the o-fluorophenols.","DirectParent":"o-Fluorophenols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08335","Name":"4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08336","Name":"TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxadiazoles. These are organic compounds containing an oxadiazole ring, which is a five-member aromatic heterocycle with two nitrogen atoms, an oxygen atom, and a carbon atom.","DirectParent":"Oxadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Oxadiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08337","Name":"TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxadiazoles. These are organic compounds containing an oxadiazole ring, which is a five-member aromatic heterocycle with two nitrogen atoms, an oxygen atom, and a carbon atom.","DirectParent":"Oxadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Oxadiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08338","Name":"19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.","DirectParent":"Macrolactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolactams","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08339","Name":"6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08340","Name":"N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine.","DirectParent":"Pyrazolotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolotriazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08341","Name":"4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08342","Name":"S-PALMITOYL-L-CYSTEINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08344","Name":"4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08345","Name":"4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine.","DirectParent":"Pyrazolotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolotriazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08346","Name":"(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08347","Name":"4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08348","Name":"N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic compound with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.","DirectParent":"Phenanthridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Benzoquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08349","Name":"N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08350","Name":"5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.","DirectParent":"Bipyridines and Oligopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Bipyridines and Oligopyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08351","Name":"N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08352","Name":"6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08353","Name":"2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine.","DirectParent":"Pyrazolotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolotriazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08354","Name":"2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine.","DirectParent":"Pyrazolotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolotriazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08355","Name":"1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08356","Name":"4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08357","Name":"1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08358","Name":"2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.","DirectParent":"Bipyridines and Oligopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Bipyridines and Oligopyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08359","Name":"2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.","DirectParent":"2,4,5-trisubstituted Thiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08360","Name":"2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolotriazines. These are compounds containing a pyrazolotriazine skeleton, which consists of a pyrazole fused to a triazine.","DirectParent":"Pyrazolotriazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolotriazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08361","Name":"2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide.","DirectParent":"Pyrimidinecarboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08362","Name":"N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08363","Name":"1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08364","Name":"1-{[(1E)-(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXY-LAMBDA^5^-PHOSPHANYL)OXY]METHYL}PYRIDIN-4-YL)METHYLIDENE]AMINO}UNDECAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08365","Name":"8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole.","DirectParent":"Pyrroloindoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Pyrroloindoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08366","Name":"3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08367","Name":"(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidic acids. These are glycerophosphates in which the glycerol moeity is bonded to two aliphatic chains through ester linkages.","DirectParent":"Phosphatidic Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08368","Name":"OCTANE-1,3,5,7-TETRACARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the branched fatty acids. These are fatty acids containing a branched chain.","DirectParent":"Branched Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Branched Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08369","Name":"1-(biphenyl-4-ylmethyl)-1H-imidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08370","Name":"S-(4-BROMOBENZYL)CYSTEINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08371","Name":"PARA-(BENZOYL)-PHENYLALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08372","Name":"1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08373","Name":"4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moeity.","DirectParent":"Chlorinated Biphenyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08374","Name":"PHENYLALANYLMETHYLCHLORIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08375","Name":"PCNOTAXIME GROUP","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08376","Name":"(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphatidic acids. These are glycerophosphates in which the glycerol moeity is bonded to two aliphatic chains through ester linkages.","DirectParent":"Phosphatidic Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerophospholipids","SubClass":"Glycerophosphates"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08377","Name":"PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08378","Name":"4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.","DirectParent":"Gamma Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08379","Name":"6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08381","Name":"PHENANTHRENE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.","DirectParent":"Phenanthrenes and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Phenanthrenes and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08382","Name":"2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08383","Name":"4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08384","Name":"2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08385","Name":"4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.","DirectParent":"Quinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08386","Name":"2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08387","Name":"2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08388","Name":"5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08389","Name":"6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08390","Name":"(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08391","Name":"6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08392","Name":"2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08393","Name":"2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08394","Name":"PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08395","Name":"2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08396","Name":"4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08397","Name":"6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group.","DirectParent":"Naphthalenecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08398","Name":"2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08399","Name":"PICEATANNOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08400","Name":"4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08401","Name":"(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08402","Name":"2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08403","Name":"METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08404","Name":"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08405","Name":"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08406","Name":"[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dibenzazepines. These are compounds with two benzene rings connected by an azepine ring.","DirectParent":"Dibenzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":"Dibenzazepines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08407","Name":"PLATENSIMYCIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08408","Name":"(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08409","Name":"4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08410","Name":"PARA-NITROBENZYL GLUTARYL GLYCINIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08411","Name":"PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08412","Name":"6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08413","Name":"METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08414","Name":"6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the halopyrimidines. These are aromatic compounds containing an halogen atom linked to a pyrimidine ring.","DirectParent":"Halopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08416","Name":"(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.","DirectParent":"Steroids and Steroid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08418","Name":"(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.","DirectParent":"Phenanthrenes and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Phenanthrenes and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08419","Name":"(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08420","Name":"1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08421","Name":"PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08422","Name":"[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08423","Name":"[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08424","Name":"[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08425","Name":"3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08426","Name":"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.","DirectParent":"Thienopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thienopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08427","Name":"PREPHENIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gamma keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.","DirectParent":"Gamma Keto-Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Keto-Acids and Derivatives","SubClass":"Gamma Keto-Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08428","Name":"3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08429","Name":"N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08430","Name":"PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thioglycosides. These are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond.","DirectParent":"Thioglycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08431","Name":"[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08432","Name":"THYMIDINE-5'-THIOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.","DirectParent":"Pyrimidine 2'-deoxyribonucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08433","Name":"phenyl ethenesulfonate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08434","Name":"2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08435","Name":"(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08436","Name":"8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08437","Name":"PUROMYCIN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.","DirectParent":"Purine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08438","Name":"(2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fatty acid esters. These are carboxylic ester derivatives of a fatty acid.","DirectParent":"Fatty Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acid Esters","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08439","Name":"parecoxib","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08440","Name":"N-1,10-phenanthrolin-5-ylacetamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.","DirectParent":"Phenanthrolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Phenanthrolines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08441","Name":"6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the halopyrimidines. These are aromatic compounds containing an halogen atom linked to a pyrimidine ring.","DirectParent":"Halopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08442","Name":"4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08443","Name":"2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08444","Name":"3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bromodiphenyl ethers. These are ether derivatives of bromodiphenyl.","DirectParent":"Bromodiphenyl Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Bromodiphenyl Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08445","Name":"(3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.","DirectParent":"Pyridinylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08446","Name":"3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bromodiphenyl ethers. These are ether derivatives of bromodiphenyl.","DirectParent":"Bromodiphenyl Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Bromodiphenyl Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08447","Name":"3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.","DirectParent":"Indoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08448","Name":"(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom).","DirectParent":"Benzazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08449","Name":"2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08450","Name":"N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.","DirectParent":"Pyridinylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08451","Name":"N-(QUINOLIN-8-YL)METHANESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.","DirectParent":"Quinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08453","Name":"2-NONYL-4-HYDROXYQUINOLINE N-OXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 4-hydroxy-2-alkylquinolines. These are organic compounds containing a quinoline moeity with an hydroxyl group attached to the C4 atom, and an alkyl chain attached to the C2 atom.","DirectParent":"4-Hydroxy-2-Alkylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"4-Hydroxy-2-Alkylquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08454","Name":"N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08455","Name":"9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the retinoids. These are compounds that are related to vitamin A, especially retinol.","DirectParent":"Retinoids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Retinoids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08456","Name":"3-{[(2,2,5,5-TETRAMETHYL-1-OXO-4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-D-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08457","Name":"4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08458","Name":"(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08459","Name":"3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08460","Name":"3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08461","Name":"3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08462","Name":"N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08463","Name":"(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08464","Name":"METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08465","Name":"2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08466","Name":"5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08467","Name":"6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the bicyclic monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.","DirectParent":"Bicyclic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08468","Name":"2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydrolyzable tannins. These are tannins whose structure is characterized by either ofthe following models","DirectParent":"Hydrolyzable Tannins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tannins","SubClass":"Hydrolyzable Tannins"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08469","Name":"tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.","DirectParent":"Piperidinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Piperidinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08470","Name":"3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08471","Name":"1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acylpiperidines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine.","DirectParent":"N-Acylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08472","Name":"(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08473","Name":"5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazole nucleosides and nucleotides. These are nucleoside or nucleotide analogues in which the imidazole moiety of benzimidazole is linked to a ribose (or ribose derivative).","DirectParent":"Benzimidazole Nucleosides and Nucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08474","Name":"3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).","DirectParent":"Secondary Carboxylic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Carboxylic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08475","Name":"[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphonic acid esters. These are organic compounds containing phosphonic acid ester functional group.","DirectParent":"Phosphonic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Phosphonic Acid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08476","Name":"3-AMINO-AZACYCLOTRIDECAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the lactams. These are compounds containing a lactam ring, which is a cyclic amide of amino carboxylic acids, having a 1-azacycloalkan-2-one structure (or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring).","DirectParent":"Lactams","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08477","Name":"5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08478","Name":"N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08479","Name":"N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08480","Name":"4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.","DirectParent":"Indanes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08481","Name":"4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08482","Name":"[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08484","Name":"4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08485","Name":"(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), whis is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.","DirectParent":"Quinic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08486","Name":"2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.","DirectParent":"Phenoxyacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenoxyacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08487","Name":"3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08488","Name":"4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08489","Name":"N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.","DirectParent":"Macrolactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolactams","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08490","Name":"4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08491","Name":"N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08492","Name":"(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08493","Name":"5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.","DirectParent":"Macrolactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolactams","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08494","Name":"S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08495","Name":"4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiophenes. These are organic compounds containing a benzene fused to a thiepine ring (a five-member ring with six carbon atoms and one sulfur atom).","DirectParent":"Benzothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08497","Name":"(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08498","Name":"(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08499","Name":"N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08500","Name":"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylisoxazolidines. These are heterocyclic compounds containing an isoxazolidine conjugated by a phenyl group.","DirectParent":"Phenylisoxazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Isoxazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08501","Name":"DIETHYL PROPANE-1,3-DIYLBISCARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.","DirectParent":"Dicarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Dicarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08502","Name":"5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 1,2,4,5-tetrasubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at for positions 1,2,4, and 5.","DirectParent":"1,2,4,5-tetrasubstituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08503","Name":"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylisoxazolidines. These are heterocyclic compounds containing an isoxazolidine conjugated by a phenyl group.","DirectParent":"Phenylisoxazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Isoxazolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08504","Name":"6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08505","Name":"methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08506","Name":"N-{(2S)-3-[(1R)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-L-phenylalanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08507","Name":"N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08508","Name":"N-BENZOYL-D-ALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08509","Name":"1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08510","Name":"5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08511","Name":"6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08512","Name":"6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08513","Name":"[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08514","Name":"6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08515","Name":"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furopyrroles. These are organic polycyclic compounds containing a furan ring fused to a pyrrole ring.","DirectParent":"Furopyrroles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furopyrroles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08516","Name":"(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08517","Name":"(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.","DirectParent":"7-O-methylated Flavonoids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Flavonoids","SubClass":"O-methylated Flavonoids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08519","Name":"N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.","DirectParent":"Indazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrazoles","SubClass":"Indazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08520","Name":"(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.","DirectParent":"Macrolide Lactams","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolide Lactams","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08521","Name":"4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08522","Name":"4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08523","Name":"[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08524","Name":"2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08525","Name":"HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08526","Name":"CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08527","Name":"1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08528","Name":"2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.","DirectParent":"Benzonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzonitriles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08529","Name":"(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.","DirectParent":"Organic Phosphonic Acids","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Organic Phosphonic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08530","Name":"7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08531","Name":"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08532","Name":"6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08533","Name":"3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.","DirectParent":"Pyrazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08534","Name":"5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08535","Name":"3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08536","Name":"3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08537","Name":"3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08538","Name":"N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08539","Name":"3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08540","Name":"2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08541","Name":"[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthopyranones. These are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group.","DirectParent":"Naphthopyranones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthopyrans","SubClass":"Naphthopyranones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08542","Name":"3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity.","DirectParent":"Catechols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08543","Name":"1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.","DirectParent":"Pyridinylpiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Pyridinylpiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08544","Name":"(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08545","Name":"(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08546","Name":"4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond.","DirectParent":"Phenylpyrrolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolidines","SubClass":"Phenylpyrrolidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08547","Name":"PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gluco/mineralocorticoids, progestogins and derivatives. These are steroids whose structure is based on an hydroxylated prostane moiety.","DirectParent":"Gluco/mineralocorticoids, Progestogins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Gluco/mineralocorticoids, Progestogins and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08548","Name":"[(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphonic acid esters. These are organic compounds containing phosphonic acid ester functional group.","DirectParent":"Phosphonic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Organic Phosphonic Acids and Derivatives","SubClass":"Phosphonic Acid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08549","Name":"(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08550","Name":"7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08551","Name":"(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.","DirectParent":"Benzoic Acids","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08552","Name":"(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid","DrugType":"small molecule","HalfLife":"","Description":"(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid is a solid. This compound belongs to the benzenes and substituted derivatives. These are aromatic compounds containing at least one benzene ring. This medication targets the protein beta-lactamase.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08553","Name":"(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime","DrugType":"small molecule","HalfLife":"","Description":"(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1h-pyrazol-4-yl)-2,3-dihydro-1h-inden-1-one oxime is a solid. This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. It targets the protein serine/threonine-protein kinase B-raf.","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08554","Name":"N-(3-carboxypropanoyl)-L-norvaline","DrugType":"small molecule","HalfLife":"","Description":"N-(3-carboxypropanoyl)-L-norvaline is a solid. This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. This medication is known to target n-acetylornithine carbamoyltransferase and putative ornithine carbamoyltransferase.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08555","Name":"1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline","DrugType":"small molecule","HalfLife":"","Description":"1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline is a solid. This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. This medication is known to target mitogen-activated protein kinase 10.","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08556","Name":"5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08557","Name":"2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08558","Name":"2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thioglycosides. These are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond.","DirectParent":"Thioglycosides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08559","Name":"N-[(2S,4S,6R)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylacetamide","DrugType":"small molecule","HalfLife":"","Description":"N-[(2S,4S,6R)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylacetamide is a solid. This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1]. This drug is known to target penicillin G acylase.","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08560","Name":"3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08561","Name":"BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.","DirectParent":"Benzyloxycarbonyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyloxycarbonyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08562","Name":"4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08564","Name":"(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08565","Name":"L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08566","Name":"D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08567","Name":"(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tametralines. These are compounds containing a tametraline moiety, which consists of a tetrahydronaphthalene linked to a phenyl group to form N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine skeleton.","DirectParent":"Tametralines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":"Tametralines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08568","Name":"(2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08569","Name":"3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08570","Name":"4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrobenzoic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08571","Name":"4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.","DirectParent":"Hydroxybenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08572","Name":"4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08573","Name":"3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08574","Name":"(5R)-2-SULFANYL-5-[4-(TRIFLUOROMETHYL)BENZYL]-1,3-THIAZOL-4-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08575","Name":"2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.","DirectParent":"Imidazopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08576","Name":"1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the oxadiazoles. These are organic compounds containing an oxadiazole ring, which is a five-member aromatic heterocycle with two nitrogen atoms, an oxygen atom, and a carbon atom.","DirectParent":"Oxadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Oxadiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08577","Name":"3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.","DirectParent":"Indolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08578","Name":"4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08579","Name":"4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08580","Name":"4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08581","Name":"4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08582","Name":"N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08583","Name":"2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08584","Name":"6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.","DirectParent":"Quinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08585","Name":"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08586","Name":"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08587","Name":"SINAPINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08588","Name":"2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08589","Name":"SYRINGATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.","DirectParent":"Gallic Acid and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08590","Name":"1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.","DirectParent":"Phenol Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08591","Name":"5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08592","Name":"4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.","DirectParent":"Benzonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzonitriles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08593","Name":"1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08594","Name":"TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08595","Name":"4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenols and derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.","DirectParent":"Phenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08596","Name":"5'-deoxy-5'-piperidin-1-ylthymidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08597","Name":"6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08598","Name":"4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08599","Name":"N-[(4-methoxyphenyl)sulfonyl]-D-alanine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08600","Name":"5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).","DirectParent":"Benzimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzimidazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08601","Name":"tributylstannanyl","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08602","Name":"3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08603","Name":"N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08604","Name":"Triclosan","DrugType":"small molecule","HalfLife":"The terminal plasma half life of triclosan is 21 h (Sandborgh-Englund et al., 2006).","Description":"An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes. [ChEBI]","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"Triclosan is used in a variety of common household products, including soaps, mouthwashes, dish detergents, toothpastes, deodorants, and hand sanitizers. It is also used in health care settings in surgical scrubs and personnel hand washes.","Toxicity":"Oral LD50, Rat: 3700 mg/kg; Dermal LD50, Rabbit: 9300 mg/kg","MechanismOfAction":"At in-use concentrations, triclosan acts as a biocide, with multiple cytoplasmic and membrane targets. At lower concentrations, however, triclosan appears bacteriostatic and is seen to target bacteria mainly by inhibiting fatty acid synthesis. Triclosan binds to bacterial enoyl-acyl carrier protein reductase enzyme (ENR), which is encoded by the gene FabI. This binding increases the enzyme's affinity for nicotinamide adenine dinucleotide (NAD+). This results in the formation of a stable ternary complex of ENR-NAD+-triclosan, which is unable to participate in fatty acid synthesis. Fatty acids are necessary for reproducing and building cell membranes. Humans do not have an ENR enzyme, and thus are not affected.","Pharmacodynamics":"","Absorption":"A study conducted in 2000 demonstrated that low amounts of triclosan can be absorbed through skin and can enter the bloodstream. [PMID: 10722890] Triclosan is rapidly absorbed and distributed in the human body (Sandborgh-Englund et al., 2006). Maximum concentrations are reached within three hours after oral intake. However, the metabolism and excretion of the compound is fast.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08605","Name":"6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiophenes. These are compounds containing a five-member aromatic compound made up of one sulfur atom and four carbon atoms.","DirectParent":"Thiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08606","Name":"(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08607","Name":"(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08608","Name":"4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.","DirectParent":"Benzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08609","Name":"(N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08610","Name":"N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08611","Name":"2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08612","Name":"1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be H).","DirectParent":"Ketones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08613","Name":"2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08614","Name":"3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08615","Name":"2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08617","Name":"4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid.","DirectParent":"Phenylpropanoic Acids","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Phenylpropanoic Acids","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08618","Name":"3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tropanes. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.","DirectParent":"Tropanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tropanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08619","Name":"TESTOSTERONE HEMISUCCINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08620","Name":"{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08621","Name":"THIAMPHENICOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08622","Name":"4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08623","Name":"2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08624","Name":"BENZOTHIAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08626","Name":"Thiorphan","DrugType":"small molecule","HalfLife":"","Description":"A potent inhibitor of membrane metalloendopeptidase (enkephalinase). Thiorphan potentiates morphine-induced analgesia and attenuates naloxone-precipitated withdrawal symptoms.","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08627","Name":"(5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihydrothiophenes. These are compounds containing a dihydrothiophene moiety, which is a thiophene derivative with only one double bond.","DirectParent":"Dihydrothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dihydrothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08628","Name":"(5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dihydrothiophenes. These are compounds containing a dihydrothiophene moiety, which is a thiophene derivative with only one double bond.","DirectParent":"Dihydrothiophenes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dihydrothiophenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08629","Name":"N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diazinanes. These are organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen atoms.","DirectParent":"Diazinanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazinanes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08631","Name":"N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08632","Name":"1,3,5-BENZENETRICARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.","DirectParent":"m-Phthalic Acid and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08633","Name":"(CHLOROACETYL)CARBAMIC ACID (3R,4S,5S,5R)-5-METHOXY-4-[(2R,3R)-2-METHYL-3-(3-METHYL-2-BUTENYL)OXIRANYL]-1-OXASPIRO[2.5]OCT-6-YL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the monoterpenes. These are compounds contaning a chain of two isoprene units.","DirectParent":"Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08634","Name":"6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).","DirectParent":"Benzylethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08635","Name":"N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08636","Name":"(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.","DirectParent":"Hydroxycinnamic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Hydroxycinnamic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08637","Name":"4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.","DirectParent":"Cinnamic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08638","Name":"2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-3-YL)PROPAN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08639","Name":"4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.","DirectParent":"Benzonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzonitriles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08640","Name":"(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.","DirectParent":"Beta Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08641","Name":"(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08642","Name":"(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.","DirectParent":"Quinazolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08643","Name":"2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08644","Name":"{1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08645","Name":"6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiadiazines. These are organic compounds containing a benzene fused to a thiadiazine ring (a six-member ring with two nitrogen atoms and a sulfur atom).","DirectParent":"Benzothiadiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Thiadiazines","SubClass":"Benzothiadiazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08646","Name":"TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08647","Name":"TRAZEOLIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.","DirectParent":"Butyrophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Butyrophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08648","Name":"8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyran carboxylic acids. These are compounds containing a pyran ring which bears a carboxylic acid group.","DirectParent":"Pyran Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyran Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08649","Name":"(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08650","Name":"(1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyran carboxylic acids. These are compounds containing a pyran ring which bears a carboxylic acid group.","DirectParent":"Pyran Carboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyran Carboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08651","Name":"3'-THIO-THYMIDINE-5'-PHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.","DirectParent":"Pyrimidine Deoxyribonucleotides","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08652","Name":"2-(1H-INDOL-3-YL)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08653","Name":"2-(1H-INDOL-3-YL)ETHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring subsituted at the thrid position by an ethanamine.","DirectParent":"Tryptamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Tryptamines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08654","Name":"TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.","DirectParent":"Tetralins","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Tetralins","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08655","Name":"9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.","DirectParent":"Carbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08656","Name":"5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08657","Name":"2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.","DirectParent":"Phenylimidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08658","Name":"ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phosphoromonoamides.","DirectParent":"Phosphoromonoamides","Kingdom":"Organic Compounds","SuperClass":"Organophosphorus Compounds","Class":"Phosphoromonoamides","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08659","Name":"2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.","DirectParent":"Indolecarboxamides and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08660","Name":"1,2,5,8-tetrahydroxyanthracene-9,10-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxyanthraquinones. These are compounds containing an hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and and hydroxyl group.","DirectParent":"Hydroxyanthraquinones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Anthracenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08661","Name":"1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar.","DirectParent":"Pyrimidine Nucleosides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08662","Name":"3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08663","Name":"4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08664","Name":"({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08665","Name":"6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.","DirectParent":"Nitrobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Nitrobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08666","Name":"5-imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine","DrugType":"small molecule","HalfLife":"","Description":"5-imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine is a solid. This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring. This drug targets the protein methionine aminopeptidase.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08667","Name":"4-(4-fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine","DrugType":"small molecule","HalfLife":"","Description":"4-(4-fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine is a solid. This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. This substance targets the protein methionine aminopeptidase.\r\n","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08668","Name":" 3-(5-amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid","DrugType":"small molecule","HalfLife":"","Description":" 3-(5-amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid is a solid. This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivatives thereof) containing an amine group attached to the benzene moiety. 3-(5-amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid targets the protein methionine aminopeptidase.","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08669","Name":"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08670","Name":"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08671","Name":"5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08672","Name":"4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08673","Name":"4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08674","Name":"(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08675","Name":"(6E)-7-{6-[(1E)-OCT-1-ENYL]-2,3-DIAZABICYCLO[2.2.1]HEPT-2-EN-5-YL}HEPT-6-ENOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the carbocyclic fatty acids. These are fatty acids contaning a carbocylic ring .","DirectParent":"Carbocyclic Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Carbocyclic Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08676","Name":"(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.","DirectParent":"Naphthalenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Acenes and Derivatives","SubClass":"Naphthalenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08677","Name":"N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.","DirectParent":"Pyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08678","Name":"(4-ETHYLPHENYL)SULFAMIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.","DirectParent":"Sulfanilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Sulfanilides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08679","Name":"2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08680","Name":"N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08681","Name":"1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08682","Name":"1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08683","Name":"REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.","DirectParent":"Indolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08684","Name":"O-DECYL HYDROGEN THIOCARBONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08685","Name":"1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08686","Name":"5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyranones and derivatives. These are compounds containing a pyran ring which bears a ketone.","DirectParent":"Pyranones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrans","SubClass":"Pyranones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08687","Name":"N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08688","Name":"undecan-2-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be H).","DirectParent":"Ketones","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbonyl Compounds","SubClass":"Ketones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08689","Name":"UBIQUINONE-1","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).","DirectParent":"Ubiquinones","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Quinone and Hydroquinone Lipids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08690","Name":"UBIQUINONE-2","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).","DirectParent":"Ubiquinones","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Quinone and Hydroquinone Lipids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08691","Name":"ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.","DirectParent":"Indolecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Indolecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08692","Name":"D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08693","Name":"L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08694","Name":"9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine.","DirectParent":"Pyrrolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08695","Name":"3-(4-nitrophenyl)-1H-pyrazole","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08696","Name":"5-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-CYCLOHEXANE-1,3-DIOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.","DirectParent":"Cyclohexanols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08697","Name":"4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08698","Name":"1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08699","Name":"1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08700","Name":"3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.","DirectParent":"Pyrazolylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyrazolylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08701","Name":"2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.","DirectParent":"Isoquinolones and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":"Isoquinolones and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08702","Name":"2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the furoic acid derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.","DirectParent":"Furoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Furans","SubClass":"Furoic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08703","Name":"12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrrolocarbazoles. These are compounds containing a pyrrolocarbazole moiety, which is a tetracyclic heterocycle which consists of a pyrrole ring fused to a carbazole.","DirectParent":"Pyrrolocarbazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Indoles and Derivatives","SubClass":"Carbazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08704","Name":"[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the amino sugars. These are sugars having one alcoholic hydroxy group replaced by an amino group; systematically known as x-amino-x-deoxymonosaccharides. These compounds do not include Glycosylamines.","DirectParent":"Amino Sugars","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Amino Sugars"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08705","Name":"6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08706","Name":"(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid.","DirectParent":"Phenylacetic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylacetic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08707","Name":"4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08708","Name":"N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltriazoles. These are organic aromatic compounds containing a phenyl group sustituted with a triazole ring.","DirectParent":"Phenyltriazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Triazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08709","Name":"2,3-diphenyl-1H-indole-7-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08710","Name":"(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08711","Name":"VANILLATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.","DirectParent":"M-methoxybenzoic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08712","Name":"11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain.","DirectParent":"Straight Chain Fatty Acids","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acids and Conjugates","SubClass":"Straight Chain Fatty Acids"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08713","Name":"2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.","DirectParent":"Phenyltetrazoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08714","Name":"2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.","DirectParent":"Phenyltetrazoles and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Tetrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08715","Name":"2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08717","Name":"[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08718","Name":"4-(3-ethylthiophen-2-yl)benzene-1,2-diol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity.","DirectParent":"Catechols","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08719","Name":"5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08720","Name":"5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole","DrugType":"small molecule","HalfLife":"","Description":"5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. This drug is known to target genome polyprotein.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08721","Name":"5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole","DrugType":"small molecule","HalfLife":"","Description":"5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole targets the protein genome polyprotein.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08722","Name":"5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole","DrugType":"small molecule","HalfLife":"","Description":"5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. 5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole targets the protein genome polyprotein.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08723","Name":"5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08724","Name":"5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole","DrugType":"small molecule","HalfLife":"","Description":"5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. This medication is known to target genome polyprotein.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08725","Name":"5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole","DrugType":"small molecule","HalfLife":"","Description":"5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. This substance targets the protein genome polyprotein.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08726","Name":"5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole","DrugType":"small molecule","HalfLife":"","Description":"5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Known drug targets of 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole include genome polyprotein.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08727","Name":"5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole","DrugType":"small molecule","HalfLife":"","Description":"5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole is known to target genome polyprotein.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08728","Name":"5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole","DrugType":"small molecule","HalfLife":"","Description":"5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Known drug targets of 5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole include genome polyprotein.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08729","Name":"5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine.","DirectParent":"Pyrazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyrimidines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08730","Name":"3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.","DirectParent":"Phenylmorpholines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Oxazinanes","SubClass":"Morpholines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08731","Name":"2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08732","Name":"NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08733","Name":"(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08734","Name":"6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08735","Name":"4-HYDROXY-3-[(1S,3R)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08736","Name":"4-HYDROXY-3-[(1S,3S)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08737","Name":"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08738","Name":"1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08739","Name":"2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08740","Name":"CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminocyclitols and derivatives. These are cyclitols with at least one hydroxyl group replace by an amino group.","DirectParent":"Aminocyclitols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Cyclic Alcohols and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08741","Name":"5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring.","DirectParent":"Benzopyrans","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzopyrans","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08742","Name":"1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the steroids and steroid derivatives. These are compounds based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred.","DirectParent":"Steroids and Steroid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08743","Name":"2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08744","Name":"6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group.","DirectParent":"Hydroxyquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Hydroxyquinolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08745","Name":"4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the styrenes. These are organic compounds containing an ethenylbenzene moiety.","DirectParent":"Styrenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Styrenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08746","Name":"1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the styrenes. These are organic compounds containing an ethenylbenzene moiety.","DirectParent":"Styrenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Styrenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08747","Name":"(11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08748","Name":"4-(DIMETHYLAMINO)BENZOIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.","DirectParent":"Aminobenzoic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08749","Name":"3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.","DirectParent":"Benzophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08750","Name":"1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzoylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Acylpiperidines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08751","Name":"N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-member ring with two carbon atoms, one nitrogen atom, and one oxygen atom).","DirectParent":"Benzoxadiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzoxadiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08752","Name":"N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08753","Name":"4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids.","DirectParent":"Cinnamic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acid Amides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08754","Name":"(2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the cinnamic acid amides. These are amides of cinnamic acids.","DirectParent":"Cinnamic Acid Amides","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Cinnamic Acids and Derivatives","SubClass":"Cinnamic Acid Amides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08755","Name":"N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at his terminal nitrogen atom.","DirectParent":"N-carbamoyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08756","Name":"(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08757","Name":"5-(2-chlorophenyl)furan-2-carbohydrazide","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.","DirectParent":"Chlorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08758","Name":"IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.","DirectParent":"Isoquinolines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoquinolines and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08759","Name":"[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).","DirectParent":"Secondary Alcohols","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Alcohols and Polyols","SubClass":"Secondary Alcohols"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08760","Name":"(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.","DirectParent":"Phenylpyruvic Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpyruvic Acid Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08761","Name":"(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the dioxopiperazines. These are compounds containing a piperazine ring bearing two ketone groups.","DirectParent":"Dioxopiperazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperazines","SubClass":"Dioxopiperazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08762","Name":"O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08763","Name":"[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.","DirectParent":"Benzyloxycarbonyls","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzyloxycarbonyls"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08764","Name":"4-BROMO-2-FLUORO-N-[(4E)-6-METHOXY-7-[(1-METHYLPIPERIDIN-4-YL)METHOXY]QUINAZOLIN-4(1H)-YLIDENE]ANILINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08765","Name":"6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazoles","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08766","Name":"L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08767","Name":"2-(4-METHOXYPHENYL)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof.","DirectParent":"Anisoles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08768","Name":"N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08770","Name":"4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.","DirectParent":"Phenethylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08771","Name":"(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.","DirectParent":"Fluorobenzenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Halobenzenes"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08772","Name":"3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phthalazinones. These are compounds containing a phthalazine bearing a ketone group.","DirectParent":"Phthalazinones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Phthalazines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08773","Name":"RALOXIFENE CORE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08774","Name":"1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08775","Name":"BENZOYL-TYROSINE-ALANINE-METHYL KETONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08776","Name":"N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).","DirectParent":"Thiazolecarboxylic Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08777","Name":"5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone.","DirectParent":"Pyrimidones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08778","Name":"[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure.","DirectParent":"Acetophenones","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Acetophenones"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08779","Name":"2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at exactly three different positions.","DirectParent":"Trisubstituted Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08780","Name":"6-MORPHOLIN-4-YL-9H-PURINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.","DirectParent":"Purines and Purine Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08781","Name":"1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine.","DirectParent":"Pyrazolopyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrazolopyridines","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08782","Name":"4-(2-AMINOETHYL)BENZENESULFONAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.","DirectParent":"Benzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08783","Name":"(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08784","Name":"2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.","DirectParent":"Pyridinecarboxylic Acids","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyridinecarboxylic Acids and Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08785","Name":"4-METHYL-2H-CHROMEN-2-ONE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08786","Name":"4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with formula R-O-R' , where R is an alkyl group and R' is an aryl group.","DirectParent":"Alkyl Aryl Ethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Alkyl Aryl Ethers"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08787","Name":"4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08788","Name":"3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08789","Name":"2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond.","DirectParent":"Phenylpyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Diazines","SubClass":"Pyrimidines and Pyrimidine Derivatives"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08790","Name":"1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.","DirectParent":"Phenylpyrazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Pyrazoles"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08791","Name":"1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE","DrugType":"small molecule","HalfLife":"","Description":"","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08792","Name":"Diloxanide","DrugType":"small molecule","HalfLife":"3 hours","Description":"Diloxanide furoate is an anti-protozoal drug used in the treatment of Entamoeba histolytica and some other protozoal infections. Although it is not currently approved for use in the United States, it was approved by a CDC study in the treatment of 4,371 cases of Entamoeba histolytica from 1977 to 1990.","Classification":{"Description":"This compound belongs to the phenol esters. These are aromatic compounds containing a benzene ring substituted by an hydroxyl group and an ester group.","DirectParent":"Phenol Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Esters"},"Indication":"Diloxanide is used alone as a primary agent in the treatment of asymptomatic (cyst passers) intestinal amebiasis caused by Entamoeba histolytica. Diloxanide may also be used concurrently, or sequentially, with other agents such as the nitroimidazoles (eg. metronidazole) in the treatment of invasive or extraintestinal forms of amebiasis.\r\n","Toxicity":"","MechanismOfAction":"Unknown. Diloxanide may inhibit protein synthesis. ","Pharmacodynamics":"Diloxanide is a luminal amebicide, however the mechanism of action of diloxanide is unknown. Diloxanide destroys the trophozoites of E. histolytica that eventually form into cysts. The cysts are then excreted by persons infected with asymptomatic amebiasis. Diloxanide furoate is a prodrug, and is hydrolyzed in the gastrointestinal tract to produce diloxanide, the active ingredient. ","Absorption":"Bioavailability is 90% (in diloxanide parental form), however diloxanide furoate is slowly absorbed from the gastrointestinal tract.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08794","Name":"Ethyl biscoumacetate","DrugType":"small molecule","HalfLife":"","Description":"Ethyl biscoumacetate is a courmarin that is used as an anticoagulant. It has actions similar to those of Warfarin. (From Martindale, The Extra Pharmacopoeia, 30th ed, p226)","Classification":{"Description":"This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).","DirectParent":"Coumarins and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Coumarins and Derivatives","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08795","Name":"Azidocillin","DrugType":"small molecule","HalfLife":"","Description":"Azidocillin is a penicillin antibiotic similir to ampicillin.","Classification":{"Description":"This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].","DirectParent":"Penicillins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Lactams","SubClass":"Beta Lactams"},"Indication":"For treatment of infection (Respiratory, GI, UTI and meningitis) due to E. coli, P. mirabilis, enterococci, Shigella, S. typhosa and other Salmonella, nonpenicillinase-producing N. gononhoeae, H. influenzae, staphylococci, streptococci including streptoc","Toxicity":"","MechanismOfAction":"By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, Azidocillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Azidocillin interferes with an autolysin inhibitor.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08796","Name":"Pipazethate","DrugType":"small molecule","HalfLife":"","Description":"A non-narcotic oral antitussive agent.","Classification":{"Description":"This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":""},"Indication":"For the treatment of cough.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Antitussive agents act centrally on the medullary cough center.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08797","Name":"Salicylamide","DrugType":"small molecule","HalfLife":"","Description":"Salicylamide is the common name for the substance o-hydroxybenzamide, or amide of salicyl. Salicylamide is a non-prescription drug with analgesic and antipyretic properties. Its medicinal uses are similar to those of aspirin. Salicylamide is used in combination with both aspirin and caffeine in the over-the-counter pain remedies","Classification":{"Description":"This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.","DirectParent":"Salicylamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"","Toxicity":"Oral, rat LD50: 1890 mg/kg ","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08798","Name":"Sulfamoxole","DrugType":"small molecule","HalfLife":"","Description":"Sulfamoxole is a sulfonamide antibacterial.","Classification":{"Description":"This compound belongs to the aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.","DirectParent":"Aminobenzenesulfonamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzenesulfonamides"},"Indication":"For the treatment of bacterial infection.","Toxicity":" Oral Rat LD50: \u003e 12500 mg/kg; Intravenous Mouse LD50: 1 g/kg\r\n \r\n","MechanismOfAction":"Sulfamoxole is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. This enzyme is needed for the proper processing of para-aminobenzoic acid (PABA) which is essential for folic acid synthesis. The inhibited reaction is necessary in these organisms for the synthesis of folic acid.","Pharmacodynamics":"Sulfamoxole is a sulfonamide antibiotic. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of \u003ci\u003ep\u003c/i\u003e-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections. Their antibacterial action is inhibited by pus.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08799","Name":"Antazoline","DrugType":"small molecule","HalfLife":"","Description":"Antazoline is a 1st generation antihistamine that also anticholinergic properties used to relieve nasal congestion and in eye drops, usually in combination with naphazoline, to relieve the symptoms of allergic conjunctivitis.","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"Used to relieve nasal congestion and in eye drops, usually in combination with naphazoline, to relieve the symptoms of allergic conjunctivitis.","Toxicity":"","MechanismOfAction":"Antazoline binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"Antazoline is a histamine H1 receptor antagonist. It selectively bind to but does not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000910","Name":"Antazoline sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08800","Name":"Chloropyramine","DrugType":"small molecule","HalfLife":"","Description":"Chloropyramine is a first generation antihistamine drug approved in some Eastern European countries for the treatment of allergic conjunctivitis, allergic rhinitis, bronchial asthma, and other atopic (allergic) conditions. Related indications for clinical use include Quincke's edema, allergic reactions to insect bites, food and drug allergies, and anaphylactic shock.","Classification":{"Description":"This compound belongs to the aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.","DirectParent":"Aminopyridines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Aminopyridines and Derivatives"},"Indication":"For the treatment of allergic conjunctivitis, allergic rhinitis, bronchial asthma, and other atopic (allergic) conditions.","Toxicity":"Oral (LD50): Acute: 142 mg/kg [Rat]. 135 mg/kg [Mouse]. DUST (LC50): Acute: 209 mg/m 2 hours [Rat].","MechanismOfAction":"Chloropyramine binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"Chloropyramine is known as a competitive reversible H1-receptor antagonist (also known as an H1 inverse agonist), meaning that it exerts its pharmacological action by competing with histamine for the H1 subtype histamine receptor. By blocking the effects of histamine, the drug inhibits the vasodilation, increased vascular permeability, and tissue edema associated with histamine release in the tissue. In addition, chloropyramine has some anticholinergic properties. Chloropyramine's anticholinergic properties and the fact that it can pass through the blood-brain barrier are linked to its clinical side effects: drowsiness, weakness, vertigo, fatigue, dryness in the mouth, constipation, and rarely - visual disturbances and increase of intraocular pressure.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000909","Name":"Chloropyramine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08801","Name":"Dimetindene","DrugType":"small molecule","HalfLife":"","Description":"Dimetindene (Fenistil) is an antihistamine/anticholinergic used orally and locally as an antipruritic.","Classification":{"Description":"This compound belongs to the indenes and isoindenes. These are compounds conaining an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohezadiene ring).","DirectParent":"Indenes and Isoindenes","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Indenes and Isoindenes","SubClass":""},"Indication":"Indicated as symptomatic treatment of allergic reactions: urticaria, allergies of the upper respiratory tract such as hey fever and perennial rhinitis, food and drug allergies; pruritus of various origins, except pruritus due to cholestasis; insect bites. Dimethindene is also indicated for pruritus in eruptive skin diseases such as chicken-pox. Dimethindene can also be used as an adjuvant in eczema and other pruriginous dermatoses of allergic origin. ","Toxicity":"As with other antihistaminic drugs, overdosage can produce the following symptoms: CNS depression accompanied by drowsiness (especially in adults), CNS stimulation and antimuscarinic effects (especially in children) including the following: excitation, ataxia, hallucinations, tonic or clonic spasms, mydriasis, dryness of the mouth, redness of the face, urine retention, fever and tachycardia. Blood hypotension is also possible. In its terminal phase, coma can be aggravated by cardiorespiratory colapse and death. There has been no report of a fatal outcome of Dimethindene overdosage. ","MechanismOfAction":"Dimethindene is a selective histamine H1 antagonist and binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"Dimethindene occurs as a racemic mixture. The (S)-(+)-dimethindene is a potent M2-selective muscarinic receptor antagonist (with lower affinity for M1, M3, and M4 muscarinic receptors). The (R)-(-)-enantiomer is the eutomer (responsible for bioactivity) for histamine H1 receptor binding.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000908","Name":"Dimetindene maleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08802","Name":"Isothipendyl","DrugType":"small molecule","HalfLife":"","Description":"Isothipendyl is an antihistamine and anticholinergic used as an antipruritic.","Classification":{"Description":"This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).","DirectParent":"Benzothiazines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzothiazines","SubClass":""},"Indication":"For the topical treatment of itching associated with allergic reactions.","Toxicity":"","MechanismOfAction":"Isothipendyl is a selective histamine H1 antagonist and binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.","Pharmacodynamics":"Isothipendyl, an azaphenothiazine derivative, competitively binds to histamine (H1) receptors, resulting in inhibition of the pharmacological effects of histamines. It also has some sedative, anticholinergic and antiserotoninergic effects.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000907","Name":"Isothipendyl hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08803","Name":"Tymazoline","DrugType":"small molecule","HalfLife":"","Description":"Tymazoline is a nasal preparation.","Classification":{"Description":"This compound belongs to the aromatic monoterpenes. These are monoterpenes containing at least one aromatic ring.","DirectParent":"Aromatic Monoterpenes","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Prenol Lipids","SubClass":"Monoterpenes"},"Indication":"For the treatment of Inflammation of the lining of the nose and paranasal sinuses and allergic inflammation of nasopharyngeal.","Toxicity":"A large overdose or accidental oral intake, especially in children, may cause excessive sedation with drowsiness, reduced body temperature, heart rate relief and fluctuations in blood pressure and collapse. ","MechanismOfAction":"Thymazen causes vasoconstriction of the nasal mucosa, reducing congestion and thus the swelling of the mucosa. Also reduces the secretions from the nose. Thymazen acts on alpha-adrenergic receptors, which reduces local inflammation of the nasal mucosa especially if their cause is an allergy.","Pharmacodynamics":"Tymazoline is a drug with antihistaminic and sympathomimetic properties. It locally reduces swelling, inflammation and mucosal secretions of the nasal passages.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08804","Name":"Nandrolone decanoate","DrugType":"small molecule","HalfLife":"","Description":"C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. It is a schedule III drug in the U.S.","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"For the treatment of refractory deficient red cell production anemias, breast carcinoma, hereditary angioedema, antithrombin III deficiency, fibrinogen excess, growth failure and Turner's syndrome. It is also indicated in the prophylaxis of hereditary angioedema.","Toxicity":"","MechanismOfAction":"Nandrolone is an androgen receptor agonist. The drug bound to the receptor complexes which allows it to enter the nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects.","Pharmacodynamics":"Nandrolone is an anabolic steroid occurring naturally in the human body, albeit in small quantities. Nandrolone increases production and urinary excretion of erythropoietin. It may also have a direct action on bone marrow. Nandrolone binds to the androgen receptor to a greater degree than testosterone, but due to its inability to act on the muscle in ways unmediated by the receptor, has less overall effect on muscle growth.","Absorption":"","Interactions":[{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true,"illicit":true},"Pathways":null},{"ID":"DB08805","Name":"Metiamide","DrugType":"small molecule","HalfLife":"","Description":"Metiamide is a histamine H2-receptor antagonist developed from another H2 antagonist, burimamide. It was an intermediate compound in the development of the successful anti-ulcer drug cimetidine.","Classification":{"Description":"This compound belongs to the imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.","DirectParent":"Imidazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Imidazoles"},"Indication":"Potential in the treatment and the management of acid-reflux disorders (GERD), peptic ulcer disease, heartburn, and acid indigestion.","Toxicity":"","MechanismOfAction":"Metiamide binds to an H\u003csub\u003e2\u003c/sub\u003e-receptor located on the basolateral membrane of the gastric parietal cell, blocking histamine effects. This competitive inhibition results in reduced gastric acid secretion and a reduction in gastric volume and acidity.","Pharmacodynamics":"Metiamide is a histamine H\u003csub\u003e2\u003c/sub\u003e-receptor antagonist. It reduces basal and nocturnal gastric acid secretion and a reduction in gastric volume, acidity, and amount of gastric acid released in response to stimuli including food, caffeine, insulin, betazole, or pentagastrin. Metiamide inhibits many of the isoenzymes of the hepatic CYP450 enzyme system. Other actions of Metiamide include an increase in gastric bacterial flora such as nitrate-reducing organisms.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08806","Name":"Roxatidine acetate","DrugType":"small molecule","HalfLife":"5-6 hours","Description":"Roxatidine acetate is a specific and competitive H2 receptor antagonist. It is currently approved in South Africa under the tradename Roxit.","Classification":{"Description":"This compound belongs to the n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.","DirectParent":"N-Benzylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"N-Benzylpiperidines"},"Indication":"For the treatment of disorders of the upper gastro-intestinal region that are due to an excess of hydrochloric acid in the gastric juice, i.e. duodenal ulcers, benign gastric ulcers. Also for prophylaxis of recurrent gastric and duodenal ulcers","Toxicity":"Oral, mouse LD50: 1000 mg/kg","MechanismOfAction":"The H2 antagonists are competitive inhibitors of histamine at the parietal cell H2 receptor. They suppress the normal secretion of acid by parietal cells and the meal-stimulated secretion of acid. They accomplish this by two mechanisms: histamine released by ECL cells in the stomach is blocked from binding on parietal cell H2 receptors which stimulate acid secretion, and other substances that promote acid secretion (such as gastrin and acetylcholine) have a reduced effect on parietal cells when the H2 receptors are blocked.","Pharmacodynamics":"Roxatidine acetate suppresses the effect of histamine on the parietal cells of the stomach (H2-receptor antagonist). This suppressive action is dose-dependent. As a result, the production and secretion, particularly of gastric acid, are reduced. Roxatidine acetate has no antiandrogenic effects and does not influence drug-metabolizing enzymes in the liver.","Absorption":"Well absorbed orally (80–90% bioavailability).","Interactions":null,"Salts":[{"ID":"DBSALT000906","Name":"Roxatidine acetate hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00734","Drugs":["DB01345","DB01593","DB08806"]}]},{"ID":"DB08807","Name":"Bopindolol","DrugType":"small molecule","HalfLife":"","Description":"Bopindolol (INN) is a beta blocker. It is an ester which acts as a prodrug for \"pindolol\":http://drugbank.ca/drugs/DB00960.","Classification":{"Description":"This compound belongs to the benzoic acid esters. These are ester derivatives of benzoic acid.","DirectParent":"Benzoic Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzoic Acid and Derivatives"},"Indication":"For the management of hypertension, edema, ventricular tachycardias, and atrial fibrillation.","Toxicity":"","MechanismOfAction":"Bopindolol (as pindolol) non-selectively blocks beta-1 adrenergic receptors mainly in the heart, inhibiting the effects of epinephrine and norepinephrine resulting in a decrease in heart rate and blood pressure. By binding beta-2 receptors in the juxtaglomerular apparatus, Pindolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production and therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively.","Pharmacodynamics":"Bopindolol is a prodrug of pindolol. Pindolol is a non-selective beta-adrenergic antagonist (beta-blocker) which possesses intrinsic sympathomimetic activity (ISA) in therapeutic dosage ranges but does not possess quinidine-like membrane stabilizing activity. Pindolol impairs AV node conduction and decreases sinus rate and may also increase plasma triglycerides and decrease HDL-cholesterol levels. Pindolol is nonpolar and hydrophobic, with low to moderate lipid solubility. Pindolol has little to no intrinsic sympathomimetic activity and, unlike some other beta-adrenergic blocking agents, pindolol has little direct myocardial depressant activity and does not have an anesthetic-like membrane-stabilizing action.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":[{"ID":"SMP00657","Drugs":["DB01345","DB01373","DB08807"]}]},{"ID":"DB08808","Name":"Bupranolol","DrugType":"small molecule","HalfLife":"2-4 hours","Description":"Bupranolol is a non-selective beta blocker without intrinsic sympathomimetic activity (ISA), but with strong membrane stabilizing activity. Its potency is similar to \"propranolol\":http://www.drugbank.ca/drugs/DB00571.","Classification":{"Description":"This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.","DirectParent":"Phenol Ethers","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenol Ethers"},"Indication":"Used to manage hypertension and tachycardia. Also used to treat glaucoma.","Toxicity":"Symptoms of overdose include bradycardia, cardiac failure, hypotension, and brochospasm. ","MechanismOfAction":"Bupranolol competes with sympathomimetic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart, inhibiting sympathetic stimulation. This results in a reduction in resting heart rate, cardiac output, systolic and diastolic blood pressure, and reflex orthostatic hypotension.","Pharmacodynamics":"Bupranolol is a competitive, nonselective beta-blocker similar to propanolol without intrinsic sympathomimetic activity.","Absorption":"Quickly and completely absorbed from the gut with less than 10% oral bioavailability.","Interactions":null,"Salts":[{"ID":"DBSALT000905","Name":"Bupranolol hydrochloride"}],"Groups":{"approved":true},"Pathways":[{"ID":"SMP00670","Drugs":["DB01345","DB01373","DB08808"]}]},{"ID":"DB08809","Name":"Dichloroacetic Acid","DrugType":"small molecule","HalfLife":"","Description":"Dichloroacetic acid, often abbreviated DCA, is an acid analogue of acetic acid in which two of the three hydrogen atoms of the methyl group have been replaced by chlorine atoms. The salts and esters of dichloroacetic acid are called dichloroacetates. Salts of DCA are used as drugs since they inhibit the enzyme pyruvate dehydrogenase kinase. Early reports of its activity against brain cancer cells led patients to treat themselves with DCA, which is commercially available in non-pharmaceutical grade. A phase 1 study in 5 patients concluded that DCA was safe, but wasn't designed to establish effectiveness.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"","Toxicity":"ORAL (LD50): Acute: 2820 mg/kg [Rat]; DERMAL (LD50): Acute: 510 mg/kg [Rabbit]","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08810","Name":"Cinitapride","DrugType":"small molecule","HalfLife":"3-5 h during the first 8 h and a residual half-life greater than 15 h thereafter.","Description":"Cinitapride is a gastroprokinetic agent and antiulcer agent of the benzamide class which is marketed in Spain and Mexico. It acts as an agonist of the 5-HT1 and 5-HT4 receptors and as an antagonist of the 5-HT2 receptors.","Classification":{"Description":"This compound belongs to the nitrophenols and derivatives. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both an hydroxyl group and a nitro group on two different ring carbon atoms.","DirectParent":"Nitrophenols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"For the treatment of gastrointestinal disorders associated with motility disturbances such as gastroesophageal reflux disease, non-ulcer dyspepsia and delayed gastric emptying.","Toxicity":"The symptoms of overdose include drowsiness, confusion and extrapyramidal effects. ","MechanismOfAction":"Cinitapride is a substituted benzamide with 5-HT receptor antagonist and agonist activity.","Pharmacodynamics":"","Absorption":"The absorption of cinitapride (12mg) following oral administration was rapid, with peak levels being achieved 2 h after dosing; absorption following intramuscular administration (4mg) was even more rapid, with peak levels (50% more that oral levels) being achieved 1 h after dosing.","Interactions":[{"ID":"DB00572"},{"ID":"DB00390"},{"ID":"DB00076"},{"ID":"DB00462"},{"ID":"DB00747"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08811","Name":"Tofisopam","DrugType":"small molecule","HalfLife":"6-8 hours","Description":"Tofisopam (marketed under brand names Emandaxin and Grandaxin) is a 2,3-benzodiazepine drug which is a benzodiazepine derivative. In contrast to classical 1,4-benzodiazepines, the compound does not bind to the benzodiazepine binding site of the gamma-aminobutyric acid receptor and its psychopharmacological profile differs from such compounds. Although Tofisopam is not approved for sale in North America, it is approved for use in various countries worldwide, including parts of Europe. The D-enantiomer (dextofisopam) is currently in phase II trials in the U.S. for the treatment of irritable bowel syndrome.","Classification":{"Description":"This compound belongs to the benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).","DirectParent":"Benzodiazepines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Benzodiazepines","SubClass":""},"Indication":"For the treatment of anxiety and alcohol withdrawal.","Toxicity":"The onset of impairment of consciousness is relatively rapid in benzodiazepine poisoning. Onset is more rapid following larger doses and with agents of shorter duration of action. The most common and initial symptom is somnolence. This may progress to coma (Grade I or Grade II) following very large ingestions. Oral, rat LD50 is 825 mg/kg.","MechanismOfAction":"Tofisopam does not bind to the benzodiazepine binding site of the gamma-aminobutyric acid receptor. One study (Rundfeldt C. et al.) has shown that tofisopam acts as an isoenzyme-selective inhibitor of phosphodiesterases (PDEs) with highest affinity to PDE-4A1 (0.42 μM) followed by PDE-10A1 (0.92 μM), PDE-3 (1.98 μM) and PDE-2A3 (2.11 μM).","Pharmacodynamics":"Like other benzodiazepines, tofisopam possesses anxiolytic properties but unlike other benzodiazepines it does not have anticonvulsant, sedative, skeletal muscle relaxant, motor skill-impairing or amnestic properties. While it may not be an anticonvulsant in and of itself, it has been shown to enhance the anticonvulsant action of classical 1,4-benzodiazepines such as diazepam (but not sodium valproate, carbamazepine, phenobarbital, or phenytoin).","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08813","Name":"Nadroparin","DrugType":"small molecule","HalfLife":"In healthy patients, the half life is between 3.5hrs to 11.2hrs following subcutaneous administration.","Description":"Nadroparin is a low molecular weight heparin (LMWH) which, when bound to antithrombin III (ATIII), accelerates the inactivation of factor II and factor Xa. Nadroparin halts the coagulation pathway by inhibiting the activation of thrombin (factor IIa) by factor Xa. The amplification of the fibrin clotting cascade is stopped once factors Xa and IIa are inactivated. It is derived from porcine sources and has a mean molecular size of 5000 daltons. Low molecular weight heparins are less effective at inactivating factor IIa due to their shorter length compared to unfractionated heparin.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Nadroparin is used for prophylaxis of thromboembolic disorders and general surgery in orthopedic surgery, treatment of deep vein thrombosis, prevention of clotting during hemodialysis and treatment of unstable angina and non-Q wave myocardial infarction","Toxicity":"Osteopenia with extended use, skin necrosis, thrombocytosis, severe immunologically-mediated thrombocytopenia, eosinophilia (rare), calcinosis rarely occurs at the injection site, severe bleeding, transient elevation of liver transaminases.","MechanismOfAction":"The mechanism of action for nadroparin is similar to all other LMWHs. Like all LMWHs, nadroparin has a pentasaccharide sequence which binds to ATIII, which potentiates the action of ATIII. This complex greatly accelerates the inactivation of factor Xa and factor IIa. As a result, the coagulation cascade is inhibited.","Pharmacodynamics":"Nadroparin is a low molecular weight heparin that is composed of a heterogeneous mixture of sulfated polysaccaride glycosaminoglycan chains. Th mean molecular weight is approximately 4300 daltons. The ratio of anti-Xa activity to anti-IIa is 3.5:1 whereas it is about 1:1 for heparin. Its use should be avoided in patients with a creatinine clearance less than 40mL/min. In these patients, unfractionated heparin should only be used. As for monitoring, active partial thromboplastin time (aPTT) will only increase at high doses of low molecular weight heparins (LMWH). Therefore, monitoring aPTT is not recommended. However, anti-Xa activity can be measured to monitor the efficacy of the LMWH. ","Absorption":"Absorption is linear. The bioavailability of nadroparin after subcutaneous administration is about 89%.","Interactions":[{"ID":"DB00055"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08814","Name":"Triflusal","DrugType":"small molecule","HalfLife":"In healthy human, the half life is 0.5 +/- 0.1h, while that of HTB is 34.3 +/- 5.3h.","Description":"Approved by the European Stroke Organization, triflusal is recommended as lone therapy for the secondary prevention of atheroembotic stroke. Triflusal appears to be equally effective with a better safety profile than acetylsalicylic acid plus dypridamole and clopidogrel alone based on a double blind, randomized TACIP and TAPIRSS trials.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"\u003cul\u003e\r\n\u003cli\u003ePrevention of cardiovascular events such as stroke\u003c/li\u003e\r\n\u003cli\u003eAcute treatment of cerebral infarction, myocardial infarction\u003c/li\u003e\r\n\u003cli\u003eThromboprophylaxis due to atrial fibrillation\u003c/li\u003e\r\n\u003c/ul\u003e","Toxicity":"Excessive bleeding. The risk of bleeding is less than that of acetylsalicylic acid. ","MechanismOfAction":"Triflusal is chemically related to acetylsalicylic acid (ASA) and irreversibly inhibits cycloxygenase-1 (COX-1) in platelets. Acetylation of the active group of COX-1 prevents the formation of thromboxane-B2 in platelets. However, it is unique because it spares the arachidonic acid metabolic pathway in endothelial cells. In addition, it favors the production of nitric oxide, a vasodilator. ","Pharmacodynamics":"Triflusal is an antithrombotic anticoagulant. It irreversibly inhibits the production of thromboxane-B2 in platelets by acetylating cycloxygenase-1. Triflusal affects many other targets such as NF kappa B, which is a gene expression regulatory factor for cycloxygenase-a and cytokines. Numerous studies comparing the efficacy and safety profile (i.e. systemic hemorrhage) between triflusal and acetylsalsylic acid has shown either no significant difference or a better effacy and safety profile for triflusal. Triflusal has been shown to protect cerebral tissue due to its inhibition of lipid peroxidation resulting from anoxia-reoxygenation.","Absorption":"Absorbed in the small intestine with a bioavailability range from 83% to 100%. There is no significant difference between the absorption of the oral solution and capsule formulation.","Interactions":[{"ID":"DB01050"},{"ID":"DB00788"},{"ID":"DB00554"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08815","Name":"Lurasidone","DrugType":"small molecule","HalfLife":"40 mg dose= 18 hours \r\n120 mg - 160 mg dose = 29-37 hours ","Description":"Lurasidone is an atypical antipsychotic developed by Dainippon Sumitomo Pharma. It was approved by the U.S. Food and Drug Administration (FDA) for treatment of schizophrenia on October 29, 2010 and is currently pending approval for the treatment of bipolar disorder in the United States. (Wikipedia)","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"Treatment of schizophrenia. ","Toxicity":"","MechanismOfAction":"Lurasidone is an atypical antipsychotic that is a D2 and 5-HT2A (mixed serotonin and dopamine activity) to improve cognition. It is thought that antagonism of serotonin receptors can improve negative symptoms of psychoses and reduce the extrapyramidal side effects that are often associated with typical antipsychotics. ","Pharmacodynamics":"Lurasidone is a benzothiazol derivative that is an antagonist and binds with high affinity to Dopamine-2 (D2) (Ki = 0.994 nM), 5-HT2A (Ki = 0.47 nM) receptors, and 5-HT7 receptors (Ki = 0.495 nM). It also binds with moderate affinity to alpha-2C adrenergic receptors (Ki = 10.8 nM) and is a partial agonist at 5-HT1A receptors (Ki = 6.38 nM). Its actions on histaminergic and muscarinic receptors are negligible. ","Absorption":"Lurasidone is readily absorbed and quickly reaches maximal concentrations (Cmax) within 1-4 hours. When taken with food, there is a two-fold increase in exposure and time to maximal concentration is increased by 0.5-1.5 hours. This occurs regardless of fat or caloric content. \r\nBioavailability = 9-19%. ","Interactions":[{"ID":"DB01072"},{"ID":"DB01128"},{"ID":"DB00559"},{"ID":"DB00564"},{"ID":"DB00446"},{"ID":"DB01211"},{"ID":"DB00257"},{"ID":"DB00872"},{"ID":"DB01264"},{"ID":"DB00705"},{"ID":"DB01234"},{"ID":"DB00988"},{"ID":"DB00668"},{"ID":"DB06414"},{"ID":"DB06414"},{"ID":"DB01319"},{"ID":"DB01320"},{"ID":"DB00619"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01233"},{"ID":"DB00607"}],"Salts":[{"ID":"DBSALT000113","Name":"Lurasidone Hydrochloride "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08816","Name":"Ticagrelor","DrugType":"small molecule","HalfLife":"Ticagrelor has a half life of 7 hours, while its active metabolite has a half life of 9 hours. ","Description":"Ticagrelor (trade name Brilinta in the US, Brilique and Possia in the EU) is a platelet aggregation inhibitor produced by AstraZeneca. Unlike clopidogrel, ticagrelor is not a prodrug and does not require metabolic activation. The drug was approved for use in the European Union by the European Commission on December 3, 2010. The drug was approved by the US Food and Drug Administration on July 20, 2011.","Classification":{"Description":"This compound belongs to the triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring.","DirectParent":"Triazolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Triazolopyrimidines","SubClass":""},"Indication":"For the prevention of thrombotic events (for example stroke or heart attack) in patients with acute coronary syndrome or myocardial infarction with ST elevation.","Toxicity":"Bleeding is the expected pharmacologic effect of overdosing. If bleeding occurs, appropriate supportive measures should be taken. Other effects of overdose may include gastrointestinal effects (nausea, vomiting, diarrhea) or ventricular pauses.","MechanismOfAction":"Like the thienopyridines prasugrel, clopidogrel and ticlopidine, ticagrelor blocks adenosine diphosphate (ADP) receptors of subtype P2Y12. In contrast to the other antiplatelet drugs, ticagrelor has a binding site different from ADP, making it an allosteric antagonist, and the blockage is reversible. Moreover, the drug does not need hepatic activation, which might work better for patients with genetic variants regarding the enzyme CYP2C19 (although it is not certain whether clopidogrel is significantly influenced by such variants).","Pharmacodynamics":"Plasma concentrations of ticagrelor are slightly increased (12–23%) in elderly patients, women, patients of Asian ethnicity, and patients with mild hepatic impairment. They are decreased in patients that described themselves as 'coloured' and such with severe renal impairment. These differences are considered clinically irrelevant. In Japanese people, concentrations are 40% higher than in Caucasians, or 20% after body weight correction. The drug has not been tested in patients with severe hepatic impairment.","Absorption":"Absorbed quickly from the gut, the bioavailability being 36%.","Interactions":[{"ID":"DB00872"},{"ID":"DB06414"},{"ID":"DB08827"},{"ID":"DB00227"},{"ID":"DB00641"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08818","Name":"Hyaluronan","DrugType":"small molecule","HalfLife":"","Description":"Sodium hyaluronate is the sodium salt of hyaluronan. The term hyaluronate also refers to the conjugate base of hyaluronic acid. Because the molecule typically exists in vivo in its polyanionic form, it is most commonly referred to as hyaluronan. It is a visco-elastic polymer normally found in the aqueous and vitreous humour. Sodium hyaluronate is a viscous solution consisting of a high molecular weight (500,000-730,000 daltons) fraction of purified natural sodium hyaluronate in buffered physiological sodium chloride. Hyaluronic acid is a natural complex sugar of the glycosaminoglycan family and is a long-chain polymer containing repeating disaccharide units of Na-glucuronate-N-acetylglucosamine. Sodium hyaluronate occurs naturally on the corneal endothelium, bound to specific receptors for which it has a high affinity.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used to treat knee pain in patients with joint inflammation (osteoarthritis). It is usually used in patients who have not responded to other treatments such as acetaminophen, exercise, or physical therapy. Sodium hyaluronate may also be used in plastic surgery to reduce wrinkles on the face or as a filler in other parts of the body. May be used in ophthalmology to assist in the extraction of cataracts, the implantation of intraocular lenses, corneal transplants, glaucoma filtration, retinal attachment and in the treatment of dry eyes. Finally, Sodium hyaluronate is also used to coat the bladder lining in treating interstitial cystitis.","Toxicity":"\u003e2400 mg/kg (mouse, oral, sodium salt)\r\n\u003e4000 mg/kg (mouse, subcutaneous, sodium salt)\r\n1500 mg/kg (mouse, intraperitoneal, sodium salt)","MechanismOfAction":"Hyaluronan functions as a tissue lubricant and is thought to play an important role in modulating the interactions between adjacent tissues. Sodium hyaluronate is a polysaccharide which is distributed widely in the extracellular matrix of connective tissue in man. It forms a viscoelastic solution in water which makes it suitable for aqueous and vitreous humor in ophthalmic surgery. Mechanical protection for tissues (iris, retina) and cell layers (corneal, endothelium, and epithelium) are provided by the high viscosity of the solution. Elasticity of the solution assists in absorbing mechanical stress and providing a protective buffer for tissues. This viscoelasticity enables maintenance of a deep chamber during surgical manipulation since the solution does not flow out of the open anterior chamber. In facilitating wound healing, it is thought that it acts as a protective transport vehicle, taking peptide growth factors and other structural proteins to a site of action. It is then enzymatically degraded and active proteins are released to promote tissue repair. Sodium hyaluronate is being used intra-articularly to treat osteoarthritis. Cell receptors that have been identified for sodium hyaluronate fall into three main groups: CD44, Receptor for Hyaluronan-mediated motility (RHAMM) and intracellular adhesion molecule-1 (ICAM-1).\r\n\r\nCD44 mediates cell interaction with Hyaluronan and the binding of the two functions as an important part in various physiologic events, such as cell aggregation, migration, proliferation and activation; cell-cell and cell-substrate adhesion; endocytosis of Hyaluronan, which leads to Hyaluronan catabolism in macrophages; and assembly of petircellular matrices from HA and proteoglycan. CD44 has two important roles in skin, regulation of keratinocyte proliferation in response to extracellular stimuli and the maintenance of local Hyaluronan homeostasis.\r\n\r\nICAM-1 is known mainly as a metabolic cell surface receptor for Hyaluronan, and this protein may be responsible mainly for the clearance of Hyaluronan from lymph and blood plasma, which accounts for perhaps most of its whole-body turnover. Ligand binding of this receptor, thus, triggers a highly coordinated cascade of events that includes the formation of an endocytotic vesicle, its fusion with primary lysosomes, enzymatic digestion to monosaccharides, active transmembrane transport of these sugars to cell sap, phosphorylation of GlcNAc and enzymatic deacetylation. ICAM-1 may also serve as a cell adhesion molecule, and the binding of Hyaluronan to ICAM-1 may contribute to the control of ICAM-1-mediated inflammatory activation.","Pharmacodynamics":"Hyaluronan is similar to a substance that occurs naturally in the joints. It may work by acting as a lubricant and shock absorber in the joint, helping the knee to move smoothly, thereby lessening pain.","Absorption":"Hyaluronan is absorbed and diffuses slowly out of the injection site.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08819","Name":"Tafluprost","DrugType":"small molecule","HalfLife":"","Description":"A prostaglandin analogue ester prodrug used topically (as eye drops) to control the progression of glaucoma and in the management of ocular hypertension. Chemically, tafluprost is a fluorinated analog of prostaglandin F2-alpha. Tafluprost was approved for use in the U.S. on February 10, 2012.","Classification":{"Description":"This compound belongs to the prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.","DirectParent":"Prostaglandins and related compounds","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Eicosanoids","SubClass":"Prostaglandins and related compounds"},"Indication":"Tafluprost is indicated for reducing elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension.","Toxicity":"Most common ocular adverse reaction is conjunctival hyperemia (range 4% – 20%).","MechanismOfAction":"Tafluprost acid is a prostanoid selective FP receptor agonist that is believed to reduce the intraocular pressure (IOP) by increasing the outflow of aqueous humor. Studies in animals and humans suggest that the main mechanism of action is increased uveoscleral outflow.","Pharmacodynamics":"Tafluprost is a novel prostaglandin analog with a high affinity for the fluoroprostaglandin (FP) receptor PGF2α. Tafluprost has an affinity for the FP receptor that is approximately 12 times higher than that of the carboxylic acid of latanoprost, but with almost no potential to bind to other receptors. ","Absorption":"Following instillation, tafluprost is absorbed through the cornea and is hydrolyzed to the biologically active acid metabolite, tafluprost acid. Tafluprost is an ester which makes the drug lipophillic enough to be quickly absorbed through. When administered to the eye, the peak plasma concentration (Cmax) and time to peak plasma concentration (Tmax) of tafluprost acid in healthy subjects was 26 pg/mL and 10 minutes respectively. a\r\nAUC, tafluprost acid = 394 pg*min/mL - 432 pg*min/mL. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08820","Name":"Ivacaftor","DrugType":"small molecule","HalfLife":"12 hours following a single dose","Description":"Ivacaftor (also known as Kalydeco or VX-770) is a drug for the treatment of cystic fibrosis, developed by Vertex Pharmaceuticals and the Cystic Fibrosis Foundation. FDA approved on January 31, 2012. ","Classification":{"Description":"This compound belongs to the quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups.","DirectParent":"Quinoline Carboxamides","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Quinoline Carboxamides"},"Indication":"For the treatment of cystic fibrosis (CF) in patients age 6 years and older who have a G551D mutation in the CFTR gene.","Toxicity":"There have been no reports of overdose with Ivacaftor. The highest single dose used in a clinical study was 800 mg in a solution formulation without any treatment-related adverse events.","MechanismOfAction":"Cystic fibrosis is caused by any one of several defects in a protein, cystic fibrosis transmembrane conductance regulator, which regulates fluid flow within cells and affects the components of sweat, digestive fluids, and mucus. The defect, which is caused by a mutation in the individual's DNA, can be in any of several locations along the protein, each of which interferes with a different function of the protein. One mutation, G551D, lets the CFTR protein reach the epithelial cell surface, but doesn't let it transport chloride through the ion channel. Ivacaftor is a potentiator of the CFTR protein. The CFTR protein is a chloride channel present at the surface of epithelial cells in multiple organs. Ivacaftor facilitates increased chloride transport by potentiating the channel-open probability (or gating) of the G551D-CFTR protein.","Pharmacodynamics":"Ivacaftor is a cystic fibrosis transmembrane conductance regulator (CFTR). In patients with the G551D mutation, Kalydeco, a pill taken two times a day with fat-containing food, helps the protein made by the CFTR gene function better and as a result, improves lung function and other aspects of CF such as increasing weight gain.","Absorption":"The pharmacokinetics of ivacaftor is similar between healthy adult volunteers and patients with CF. When given a single oral dose of 150 mg to healthy subjects, the parameters were as follows:\r\nTmax = 4 hours;\r\nCmax = 768 ng/mL;\r\nAUC = 10600 ng*hr/mL;\r\nTime to steady state, 12 hour dosing = 3-5 days \r\nFollowing repeated doses for ivacaftor, accumulation occurs. \r\nWhen given with a fatty meal, exposure increases 2-4 fold. ","Interactions":[{"ID":"DB06274"},{"ID":"DB06769"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB00199"},{"ID":"DB06414"},{"ID":"DB00196"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB06589"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01263"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01323"},{"ID":"DB00976"},{"ID":"DB08895"},{"ID":"DB08828"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08822","Name":"Azilsartan medoxomil","DrugType":"small molecule","HalfLife":"The half-life is 11 hours, and it takes about 5 days to reach steady state concentrations.","Description":"Azilsartan medoxomil is an angiotensin II receptor antagonist indicated for the treatment of mild to moderate essential hypertension. Azilsartan medoxomil is a prodrug of Azilsartan marketed as \"Edarbi\" by Takeda. Azilsartan medoxomil has so far been shown to be superior to olmesartan and valsartan in lowering blood pressure. ","Classification":{"Description":"This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.","DirectParent":"Biphenyls and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Biphenyls and Derivatives"},"Indication":"Treatment of hypertension (alone or as an adjunct).","Toxicity":"Hypotension and diarrhea are most common.","MechanismOfAction":"Azilsartan medoxomil blocks the angiotensin II type 1 receptor preventing angiotensin II from binding and causing vasoconstriction. Azilsartan's ability to remain tightly bound to AT1 receptors for very long periods after drug washout is among its most unusual features. ","Pharmacodynamics":"Azilsartan medoxomil decreases the pressor effect of angiotensin II. In response, angiotensin I, angiotensin II, and renin are increased while aldosterone is decreased.","Absorption":"Azilsartan medoxomil is hydrolyzed to the active metabolite azilsartan in the GI tract. The presence of food does not affect oral absorption of azilsartan medoxomil, and the bioavailability is 60% for azilsartan. Maximum plasma concentrations are reached in 1.5 to 3 hours.","Interactions":[{"ID":"DB00945"},{"ID":"DB01143"},{"ID":"DB06237"},{"ID":"DB00542"},{"ID":"DB01197"},{"ID":"DB00482"},{"ID":"DB04272"},{"ID":"DB00586"},{"ID":"DB00861"},{"ID":"DB00584"},{"ID":"DB00749"},{"ID":"DB01276"},{"ID":"DB00573"},{"ID":"DB00712"},{"ID":"DB00492"},{"ID":"DB01050"},{"ID":"DB00328"},{"ID":"DB01009"},{"ID":"DB00465"},{"ID":"DB06655"},{"ID":"DB00722"},{"ID":"DB01356"},{"ID":"DB04835"},{"ID":"DB00939"},{"ID":"DB00784"},{"ID":"DB00814"},{"ID":"DB00691"},{"ID":"DB00461"},{"ID":"DB00788"},{"ID":"DB00727"},{"ID":"DB00991"},{"ID":"DB00790"},{"ID":"DB00554"},{"ID":"DB00881"},{"ID":"DB00178"},{"ID":"DB00073"},{"ID":"DB00795"},{"ID":"DB00605"},{"ID":"DB00820"},{"ID":"DB00500"},{"ID":"DB00519"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08823","Name":"Spinosad","DrugType":"small molecule","HalfLife":"","Description":"Spinosad is a pediculicide mixture of spinosyn A and spinosyn D (in an approximately 5:1 ratio, respectively) used in the topical treatment of head lice in children (four years old and older) and in adults. Spinosad is an insecticide based on a compound found in S. spinosa, a bacterial species. Spinosad has also been experimented for use in cats for treatment of flea infestations, and has also been experimented for use against the KS1 Ctenocephalides felis flea strain infesting dogs, in addition to many investigations for use in other animals and agricultural plants. ","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"Spinosad is indicated for the topical treatment of head lice in children four years old and over and in adults.","Toxicity":"Natroba contains benzyl alcohol, which should be avoided in neonates due to associated severe adverse effects and potential fatality. For use only on the scalp and associated hair. Avoid ingestion and contact with eyes. Spinosad itself is not hazardous by the oral, dermal, ocular, or inhalational routes. ","MechanismOfAction":"Spinosad is a mixture of spinosyn A and spinosyn D in a 5:1 ratio. This combination causes neuronal hyperexcitation through mostly alteration of nicotinic acetylcholine receptors, which ultimately leads to lice paralysis and death.\r\n","Pharmacodynamics":"Spinosyn A does not appear to directly interact with any known relevant insecticidal targets, but instead boasts a novel mechanism that resembles a GABA antagonist. Spinosyn A is also slightly more biologically active than spinosyn D. ","Absorption":"Not absorbed if administered topically.","Interactions":null,"Salts":null,"Groups":{"approved":true,"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB08824","Name":"Ioflupane I 123","DrugType":"small molecule","HalfLife":"Half life is 13.2 hours.","Description":"Ioflupane (I-123) is a radiopharmaceutical used to image dopamine neurons and diagnose Parkinsonian syndromes.","Classification":{"Description":"This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.","DirectParent":"Phenylpiperidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Piperidines","SubClass":"Phenylpiperidines"},"Indication":"Ioflupane I-123 is a SPECT (single photon emission computerized tomography) agent used to distinguish between Parkinson’s syndrome tremors and essential tremor. ","Toxicity":"","MechanismOfAction":"Iodine-123 labeled ioflupane binds to presynaptic dopamine transporters. When Iodine-123 decays, a gammay ray is emmitted and detected through SPECT.","Pharmacodynamics":"iodine-123 labeled ioflupanebinds selectively to striatal presynaptic dopamine neurons by binding reversibly to presynaptic dopamine transporters.","Absorption":"Absorption is 100% because administered I.V.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08826","Name":"Deferiprone","DrugType":"small molecule","HalfLife":"The half-life is 1.9 hours.","Description":"Deferiprone is an oral iron chelator used as a second line agent in thalassemia syndromes when iron overload from blood transfusions occurs. Thalassemias are a type of hereditary anaemia due a defect in the production of hemoglobin. As a result, erythropoiesis, the production of new red blood cells, is impaired. FDA approved on October 14, 2011. ","Classification":{"Description":"This compound belongs to the dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.","DirectParent":"Dihydropyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Hydropyridines"},"Indication":"Deferiprone is indicated in thalassemia syndromes when first line chelation agents are not adequate to treat transfusional iron overload.","Toxicity":"Agranulocytosis and neutropenia may occur, which can lead to fatal infections. Hepatoxicity is also possible. Most common side effects that lead to discontinuation of therapy were the gastrointestinal adverse effects (diarrhea, ulcer, nausea, gastrointestinal disturbances) ","MechanismOfAction":"Deferiprone is an iron chelator that binds to ferric ions (iron III) and forms a 3:1 (deferiprone:iron) stable complex and is then eliminated in the urine. Deferiprone is more selective for iron in which other metals such as zinc, copper, and aluminum have a lower affinity for deferiprone.","Pharmacodynamics":"","Absorption":"Deferiprone is absorbed in the upper gastrointestinal tract. Absorption is rapid with maximum plasma concentrations occurring after 1 hour in the fasted state and after 2 hours in the fed state.","Interactions":[{"ID":"DB06723"},{"ID":"DB01373"},{"ID":"DB01592"},{"ID":"DB00893"},{"ID":"DB06790"},{"ID":"DB01378"},{"ID":"DB01390"},{"ID":"DB01593"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08827","Name":"Lomitapide","DrugType":"small molecule","HalfLife":"Lomitapide half-life is about 39.7 hours.","Description":"Lomitapide is a microsomal triglyceride transfer protein (MTP) inhibitor used in homozygous familial hypercholesterolemia (HoFH) patients. It is marketed under the name Juxtapid (R).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in homozygous familial hypercholesterolemia (HoFH) patients to reduce low-density lipoprotein cholesterol (LDL-C), total cholesterol (TC), apolipoprotein B (apo B), and non-high-density lipoprotein cholesterol (non-HDL-C).","Toxicity":"Contra-indicated in pregnancy, and moderate to severe hepatic insufficiency (Child-Pugh category B or C). Severe GI adverse reactions may occur.","MechanismOfAction":"Within the lumen of the endoplasmic reticulum, lomitapide inhibits microsomal triglyceride transfer protein (MTP), which prevents the formation of apolipoprotein B, and, thus, the formation of VLDL and chylomicrons as well. Altogether, this leads to a reduction of low-density lipoprotein cholesterol.","Pharmacodynamics":"Lomitapide directly inhibits microsomal triglyceride transfer protein (MTP).","Absorption":"In healthy patients, time to maximum lomitapide concentration is about 6 hours with a single dose of 60 mg. Lomitapide has an approximate absolute bioavailability of 7%.","Interactions":[{"ID":"DB01076"},{"ID":"DB08873"},{"ID":"DB01432"},{"ID":"DB00537"},{"ID":"DB00375"},{"ID":"DB08865"},{"ID":"DB06695"},{"ID":"DB00227"},{"ID":"DB00641"},{"ID":"DB05521"},{"ID":"DB08816"},{"ID":"DB00682"}],"Salts":[{"ID":"DBSALT000110","Name":"Lomitapide mesylate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08828","Name":"Vismodegib","DrugType":"small molecule","HalfLife":"The half-life after a single dose is 12 days, and after continuous daily dosing is 4 days.","Description":"Vismodegib inhibits the hedgehog signalling pathway and is indicated for treatment of adult basal cell carcinoma. FDA approved on Jan 30, 2012. ","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Vismodegib is used for treating locally advanced or metastatic basal cell carcinoma in patients whose carcinoma has recurred after surgery, and in patients who are not candidates for surgery or radiation.","Toxicity":"Increased risk of embryo-fetal death and significant birth defects. Common adverse event include muscle spasms, alopecia, dysgeusia, weight loss, fatigue, nausea, diarrhea, decreased appetite, constipation, arthralgias, vomiting, and ageusia. ","MechanismOfAction":"Mutations of the Hedgehog pathway may results in uncontrolled proliferation of skin basal cells. Vismodegib binds to and inhibits the transmembrane protein Smoothened homologue (SMO) to inhibit the Hedgehog signalling pathway. ","Pharmacodynamics":"Vismodegib selectively binds to and inhibits the transmembrane protein Smoothened homologue (SMO) to inhibit the Hedgehog signalling pathway. ","Absorption":"The absolute bioavailability of a single dose is 31.8%. Absorption is saturable and is not affected by food. ","Interactions":[{"ID":"DB00207"},{"ID":"DB01211"},{"ID":"DB00199"},{"ID":"DB08820"},{"ID":"DB00338"},{"ID":"DB00863"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08830","Name":"Dehydroascorbic Acid","DrugType":"small molecule","HalfLife":"","Description":"Dehydroascorbic acid is made from the oxidation of ascorbic acid. This reaction is reversible, but dehydroascorbic acid can instead undergo irreversible hydrolysis to 2,3-diketogulonic acid. Dehydroascorbic acid as well as ascorbic acid are both termed Vitamin C, but the latter is the main form found in humans. In the body, both dehydroascorbic acid and ascorbic acid have similar biological activity as antivirals but dehydroascorbic acid also has neuroprotective effects. Currently dehydroascorbic acid is an experimental drug with no known approved indications.\r\n\r\n","Classification":{"Description":"This compound belongs to the furanones. These are compounds containing a furan ring bearin a ketone group.","DirectParent":"Furanones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Dihydrofurans","SubClass":"Furanones"},"Indication":"There is no approved indication for dehydroascorbic acid, but it has potential therapeutic use in patients with certain viruses and ischemic stroke.","Toxicity":"","MechanismOfAction":"Even though dehydroascorbic acid and ascorbic acid have similar effects, their mechanism of action seems to be different. The exact mechanism of action is still being investigated, but some have been elucidated. Concerning dehydroascorbic acid's antiviral effect against herpes simplex virus type 1, it is suggested that dehydroascorbic acid acts after replication of viral DNA and prevents the assembly of progeny virus particles.","Pharmacodynamics":"Dehydroascorbic acid has similar biological activity as ascorbic acid. Both compounds have been shown to have antiviral effects against herpes simplex virus type 1, influenza virus type A and poliovirus type 1 with dehydroascorbic acid having the stronger effect. In addition, unlike ascorbic acid, dehydroascorbic acid can cross the blood brain barrier and is then converted to ascorbic acid to enable retention in the brain. This is important because one study has found that after an ischemic stroke, dehydroascorbic acid has neuroprotective effects by reducing infarct volume, neurological deficits, and mortality.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08831","Name":"2-deoxyglucose","DrugType":"small molecule","HalfLife":"","Description":"2-deoxyglucose is predominantly used as a diagnostic agent in its radiolabelled form (fluorine-18 is used as the radiolabel). By using positron emission tomography (PET), radiolabelled 2-deoxyglucose can determine glucose metabolism, which is altered in diseases such as cardiovascular disease, tumors, and Alzheimer's disease. Therapeutically, 2-deoxyglucose is an investigational drug that is being studied as an anticancer and antiviral agent. Concerning the former, 2- deoxyglucose was used as an adjunct to chemotherapy and radiotherapy in the treatment of solid tumors (lung, breast, pancreas, head, neck, and gastric tumors). The exact mechanisms of action of 2-deoxyglucose is still being investigated, but it is known that in hypoxic cancer cells, 2-deoxyglucose is a glycolysis inhibitor that prevents ATP production and, ultimately, cell survival. With respect to antiviral therapy, 2-deoxyglucose was shown to be effective against herpes simplex virus by affecting the virus' ability to penetrate cells. As an experimental drug, 2-deoxyglucose was demonstrated to work as an anticonvulsant in temporal lobe epilepsy. In this condition, 2-deoxyglucose represses the expression of certain proteins that are at high levels after a seizure. Although there are several possible therapeutic indications for 2-deoxyglucose, presently there is no approved indication for 2-deoxyglucose as a therapeutic agent. ","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"As of July 2013, there is no approved therapeutic indication for 2-deoxyglucose. 2-deoxyglucose may have several potential indications as an adjunct to chemotherapy and radiotherapy in the treatment of solid tumors, as an antiviral treatment in herpes simplex patients, and as an antiepileptic in temporal lobe epilepsy patients.","Toxicity":"","MechanismOfAction":"Solid tumors have hypoxic areas with slow growing cells that are resistant to chemotherapy, which attacks rapidly dividing cells. In the hypoxic area of the tumor, the cells rely on anaerobic glycolysis to produce energy in the form of ATP while non-tumor cells can rely on additional pathways such as fatty acid and amino acid metabolism to produce ATP. 2-deoxyglucose is an inhibitor of glycolysis because as a modified glucose molecule (it has a hydrogen at the carbon 2 position instead of a hydroxyl group), it is unable to complete the glycolysis process, and as such will hinder the survival of slow growing cancer cells. Regarding 2-deoxyglucose's antiviral activity, it prevents the glycosylation of specific proteins and lipids as well as prevents proper penetration of the virus into the target cells. In temporal lobe epilepsy, 2-deoxyglucose represses the overactive brain-derived neurotrophic factor (BDNF) promoter and prevents the increased expression of BDNF protein and TrkB receptor (BDNF's receptor) that is observed in epileptic patients.","Pharmacodynamics":"Physiologically 2-deoxyglucose is an inhibitor of glycolysis, certain viruses, and seizures. ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB08834","Name":"Tauroursodeoxycholic acid","DrugType":"small molecule","HalfLife":"","Description":"Tauroursodeoxycholic acid is the more hydrophilic form of ursodeoxycholic acid, which is the more abundant naturally produced bile acid in humans. Tauroursodeoxycholic acid, on the other hand, is produced abundantly in bears and has been used for centuries as a natural remedy in some Asian countries. It is approved in Italy and Turkey for the treatment of cholesterol gallstones and is an investigational drug in China, Unites States, and Italy. Tauroursodeoxycholic acid is being investigated for use in several conditions such as Primary Biliary Cirrhosis (PBC), insulin resistance, amyloidosis, Cystic Fibrosis, Cholestasis, and Amyotrophic Lateral Sclerosis. The only completed clinical trial thus far is a phase III clinical trial comparing tauroursodeoxycholic acid and ursofalk in PBC adult patients, but as of June 2013 no results of this trial have been published. ","Classification":{"Description":"This compound belongs to the taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety.","DirectParent":"Taurinated Bile Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Bile Acids, Alcohols and Derivatives"},"Indication":"Used in the treatment of cholesterol gallstones. Tauroursodeoxycholic acid is also being investigated for use in several conditions such as Primary Biliary Cirrhosis (PBC), insulin resistance, amyloidosis, Cystic Fibrosis, Cholestasis, and Amyotrophic Lateral Sclerosis.","Toxicity":"","MechanismOfAction":"Tauroursodeoxycholic acid is the more hydrophilic form of ursodeoxycholic acid, which is naturally produced in the body. In patients with properly functioning gallbladders, both of these bile acids inhibit liver cholesterol secretion and synthesis as well as intestinal cholesterol absorption allowing for the promotion of cholesterol gallstone dissolution. The mechanism of action of tauroursodeoxycholic acid in the other conditions is still being investigated.\r\n\r\n","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB08835","Name":"Spaglumic Acid","DrugType":"small molecule","HalfLife":"","Description":"Spaglumic acid is the β-aspartyl isoform of N-Acetyl-l-aspartylglutamate (isospaglumic Acid is N-(N-Acetyl-l-α-aspartyl)-l-glutamic acid). In eye drops, spaglumic acid is either a magnesium or sodium salt of N-Acetyl-l-aspartylglutamate. Spaglumic acid is a mast cell stabilizer. Thus it is used in allergic conditions such as allergic conjunctivitis. Specifically spaglumic acid is approved in Portugal under the brand name Naabak and in Greece under the brand name Naaxia for use in patients with allergic conjunctivitis. \r\n","Classification":{"Description":"This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.","DirectParent":"N-acyl-alpha Amino Acids","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used in patients with allergic conjunctivitis.","Toxicity":"","MechanismOfAction":"Spaglumic acid is a mast cell stabilizer. Mast cells are involved in producing an allergic response by releasing inflammatory mediators such as histamine. Mast cell stablizers block the release of histamine and other mediators by inhibiting mast cell degranulation, which is the process of releasing these mediators. Inhibition occurs through inhibition of specific calcium channels to stabilize the mast cell and prevent degranulation. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08836","Name":"Temocapril","DrugType":"small molecule","HalfLife":"13.1 hours in patients with normal liver function. ","Description":"Temocapril is a prodrug-type angiotensin-I converting enzyme (ACE) inhibitor not approved for use in the United States, but is approved in Japan and South Korea. Temocapril can also be used in hemodialysis patients without risk of serious accumulation. ","Classification":{"Description":"This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids.","DirectParent":"Alpha Amino Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Temocapril is an ACE inhibitor primarily indicated in the treatment of hypertension and congestive heart failure, diabetic nephropathy, and improvement of prognosis for coronary artery diseases (including acute myocardial infarction). ","Toxicity":"In rats, whether or male or female, the LD50 values of temocapril were higher than 5000 mg/kg. ","MechanismOfAction":"","Pharmacodynamics":"Temocapril is a prodrug of its active metabolite (and diacid form) temocaprilat which contains a thiazepine ring. Temocaprilat has slightly higher potency than enalaprilat in ACE inhibition isolated from rabbit lung. ACE inhibitors exert their hemodynamic effect mainly by inhibiting the renin-angiotensin system. They also modulate sympathetic nervous system activity and increase prostaglandin synthesis. They cause mainly vasodilation and mild natriuresis without affecting heart rate and contractility.). When compared with other Angiotensin-converting Enzyme Inhibitors, temocapril's advantages include a rapid onset of action and what research suggests is tighter vascular ACE binding than enalaprilat. ","Absorption":"Temocapril is rapidly absorbed in the gastrointestinal tract and converted into the \r\ndiacid (active) metabolite, which inhibits ACE in plasma. ","Interactions":null,"Salts":[{"ID":"DBSALT000171","Name":"Temocapril Hydrochloride"}],"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB08837","Name":"Tetraethylammonium","DrugType":"small molecule","HalfLife":"","Description":"Tetraethylammonium is an experimental drug with no approved indication or marketed formulation. The only marketed drug containing tetraethylammonium was a combination drug called Fosglutamina B6, but this drug has now been discontinued. As an experimental agent, tetraethylammonium is used in its salt forms such as tetraethylammonium chloride and tetraethylammonium bromide. Its mechanism of action is still being investigated, but it is known that tetraethylammonium blocks autonomic ganglia, calcium- and voltage- activated potassium channels, and nicotinic acetylcholine receptors. Because of its inhibitory actions at the autonomic ganglia, tetraethylammonium was thought to be a potential therapeutic vasodilator but serious toxic effects were found. The most common use of tetraethylammonium presently is as a pharmacological research agent that blocks selective potassium channels. Structurally, tetraethylammonium is positively charged due to its central quaternary ammonium.","Classification":{"Description":"This compound belongs to the polyamines. These are compounds containing more than one amine group.","DirectParent":"Polyamines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Amines","SubClass":"Polyamines"},"Indication":"Tetraethylammonium is an experimental drug with no approved indication.","Toxicity":"Studies in animals and humans have reported cases of serious muscle paralysis, which can lead to respiratory distress and death.","MechanismOfAction":"Tetraethylammonium's mechanism of action is still being investigated, but it is known that it blocks autonomic ganglia, calcium- and voltage- activated potassium channels, and nicotinic acetylcholine receptors.\r\n","Pharmacodynamics":"Tetraethylammonium is a vasodilator because it blocks autonomic ganglia and prevents signals carrying vasoconstrictor impulses from proceeding.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000173","Name":"Tetraethylammonium bromide"},{"ID":"DBSALT000174","Name":"Tetraethylammonium chloride"},{"ID":"DBSALT000176","Name":"Tetraethylammonium hydroxide"},{"ID":"DBSALT000177","Name":"Tetraethylammonium iodide"},{"ID":"DBSALT000178","Name":"Tetraethylammonium phosphate "}],"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08838","Name":"Agmatine","DrugType":"small molecule","HalfLife":"","Description":"Agmantine is a natural metabolite of the amino acid arginine. It is formed when arginine is decarboxylated by the enzyme arginine decarboxylase and is found naturally in ragweed pollen, ergot fungi, octopus muscle, herring sperm, sponges, and the mammalian brain. Agmatine is both an experimental and investigational drug. As an investigational drug, it is being studied in a non-blinded prospective case study in the United States looking at patients who have been diagnosed with small fiber peripheral neuropathy between the ages of 18 to 75 years. Up to now (July 2013), the results of this study have not yet been published. As an experimental drug, agmatine is being studied for several indications such as cardioprotection, diabetes, decreased kidney function, neuroprotection (stroke, severe CNS injuries, epilepsy, glaucoma, and neuropathic pain), and psychiatric conditions (depression, anxiety, schizophrenia, and cognition). The exact mechanism of action is still being investigated for all of the potential indications of agmatine.","Classification":{"Description":"This compound belongs to the guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.","DirectParent":"Guanidines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Guanidines","SubClass":""},"Indication":"Agmatine is being studied experimentally for several indications such as cardioprotection, diabetes, decreased kidney function, neuroprotection (stroke, severe CNS injuries, epilepsy, glaucoma, and neuropathic pain), and psychiatric conditions (depression, anxiety, schizophrenia, and cognition). As an investigational drug, agamatine is being studied in a non-blinded prospective case study in the United States looking at patients who have been diagnosed with small fiber peripheral neuropathy.","Toxicity":"","MechanismOfAction":"The exact mechanism of action is still being investigated for all of the potential indications of agmatine. Some of the biochemical mechanisms discovered so far concern agmatine's indication for diabetes, neuroprotection, and psychiatric conditions. In diabetes, agmatine produces hypoglycemia by increasing the release of insulin form pancreatic islet cells and increasing glucose uptake by the cells through increased endorphin release from the adrenal glands. Concerning neuroprotection, agmatine's effects are thought to involve modulation of receptors (NMDA, alpha 2, and imidazoline) and ion channels (ATP sensitive potassium channels and voltage-gated calcium channels) as well as blocking nitric oxide synthesis. Agmatine blocks nitric oxide synthesis by reducing the nitric oxide synthase -2 (NOS-2) protein in astroglial cells and macrophages. With respect to agmatine's benefit in psychiatric disorders, it is suggested that the mechanism involves neurotransmitter receptor modulation of the NMDA, alpha-2, serotonin, opioid, and imidazoline receptors. Specifically when agmatine binds to the imidazoline and alpha 2 receptors, it acts as a neurotransmitter and releases catecholamines from the adrenal gland. ","Pharmacodynamics":"Agmatine has several physiological effects. Its cardiovascular effects include mildly reducing heart rate and blood pressure. Also it promotes a mild hypoglycemic state, reduces cellular oxidative stress, and enhances glomerular filtration rate.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000006","Name":"Agmatine sulfate"}],"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB08842","Name":"Acetylcarnitine","DrugType":"small molecule","HalfLife":"","Description":"Acetylcarnitine is an investigational drug in the United states, Italy, United Kingdom, China, Israel, and Norway, and it is approved in Italy, Portugal, Argentina, Chile, Philippines, Australia, and India. Acetylcarnitine can be synthesized, but it is also naturally found in adequate amounts in healthy humans. In human plasma and tissues, acetylcarnitine is the most predominant acylated ester of carnitine, which is an amino acid derivative that is made in the kidney, liver, and brain from lysine and methionine. The main role of acetylcarnitine is to help transport fatty acids into the mitochondrial matrix where fatty acid metabolism occurs.\r\n","Classification":{"Description":"This compound belongs to the cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.","DirectParent":"Cholines","Kingdom":"Organic Compounds","SuperClass":"Organonitrogen Compounds","Class":"Quaternary Ammonium Salts","SubClass":"Cholines"},"Indication":"Acetylcarnitine is not approved for any indication in the United states and Canada, but it is approved and indicated in Italy for cerebrovascular disorders, mental function disorders, peripheral nerve disorders, diabetic neuropathy, and nutritional supplementation; Portugal for mental function disorders; Argentina for cerebral vasculopathy, nutritional supplementation, and peripheral neuropathy; Chile for dementia; Philippines for cerebrovascular disorders and mental function disorders; Australia for nutritional supplementation; and India for nutritional supplementation to increase sperm count. Acetylcarnitine also has several potential therapeutic indications for which it is still being investigated: in Norway, acetylcarnitine is in a phase IV trial for prophylactic treatment of migraines; in Italy acetylcarnitine is in a phase II trial for use in patients with type 2 Diabetes Mellitus, a phase III trial for alleviating fatigue in patients with chronic hepatitis C, and for use in patients with Minimal Hepatic Encephalopathy; in the United States acetylcarnitine is in a phase II trial for the neurodegenerative disorder Progressive Supranuclear Palsy, a phase II and III trial for reducing peripheral neuropathy in cancer patients as an adjunct to chemotherapy, a phase I and II trial for treating patients in septic shock, a phase II trial for bipolar depression, a phase II trial to reduce oxidative stress in patients with Sickle Cell disease, a phase I and II trial for chronic fatigue syndrome, and a study for preventing nerve damage in HIV patients; in China acetylcarnitine is in a phase III trial for reducing peripheral neuropathy in cancer patients as an adjunct to chemotherapy; in the United Kingdom acetylcarnitine is being investigated for preventing nerve damage in HIV patients; and in Israel acetylcarnitine is being studied for the treatment of male infertility.\r\n\r\n \r\n","Toxicity":"","MechanismOfAction":"The mechanisms of action of acetylcarnitine have not been fully elucidated, but it seems that the main role of acetylcarnitine is to donate an acetyl group during fatty acid metabolism to help transport fatty acids, such as acetyl CoA, into the mitochondrial matrix where fatty acid metabolism occurs. Additionally several studies have found that separate from its metabolic role, acetylcarnitine has neuromodulatory, neurotrophic, and neuroprotective effects that most likely are involved in its positive effects in neurological diseases. In its role in treating male infertility, acetylcarnitine increases the active movement of sperm cells. One study has also mentioned a role for acetylcarnitine as an antioxidant. The study found that through the receptor, tyrosine kinase A, acetylcarnitine was able to decrease the production of free radicals, peroxidation of lipids, and oxidation of proteins as well as decrease glutathione levels and increase thioredoxin.","Pharmacodynamics":"The complete physiological effects of acetycarnitine are still being studied. What has been discovered so far is that acetylcarinitine has positive effects on mental fatigue, neurodegenerative disorders, cognitive functions, peripheral neuropathy, and sperm motility. Specifically, in one study involving patients with HIV, patients on acetylcarnitine supplementation had increased CD4 cells, decreased lymphocyte apoptosis, improved polyneuropathy and cardiovascular damage, and decreased triglyceride and TNF alpha levels in the blood. Another study showed that acetylcarnitine increased glucose disposal in type 2 diabetic patients through possibly increasing the activity of glycogen synthase.","Absorption":"Acetylcarnitine supplements are absorbed in a similar manner to L-carnitine.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB08844","Name":"Uric Acid","DrugType":"small molecule","HalfLife":"","Description":"Uric acid is the last product of purine metabolism in humans. The formation of uric acid is through the enzyme xanthine oxidase, which oxidizes oxypurines. Normally a small amount of uric acid is present in the body, but when there is an excess amount in the blood, called hyperuricemia, this can lead to gout and formation of kidney stones. As a therapeutic agent, it is known that uric acid is increased in response to oxidative stress, and as such, uric acid acts as an antioxidant. At present (August 2013), there is no approved formulation or indication for uric acid. In one country, Spain, uric acid is an investigational drug in a phase 3 trial studying its effects as an adjunct to alteplase in acute ischemic stroke. ","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"At present (August 2013), there is no approved indication for uric acid. The potential therapeutic use for uric acid is as an adjunct in acute ischemic stroke.","Toxicity":"","MechanismOfAction":"The exact mechanism of action for uric acid's antioxidant effects have not yet been elucidated.","Pharmacodynamics":"Uric acid is a strong reducing agent (donates electrons) and an antioxidant. Normally in humans, one of the main antioxidants in plasma is uric acid. Several animal studies have found that animals given exogenous uric acid within 3 hours after a stroke had decreased infarct volume, improved neurologic function, and diminished inflammatory responses providing evidence for the neuroprotective effects of uric acid. In some early human studies, uric acid has so far shown similar neuroprotective effects, in both the cortex and subcortex areas, due to its antioxidant effects such as decreased lipid peroxidation, and there appears to be no significant toxicities.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true,"investigational":true},"Pathways":null},{"ID":"DB08846","Name":"Ellagic Acid","DrugType":"small molecule","HalfLife":"","Description":"Ellagic acid is present in several fruits such as cranberries, strawberries, raspberries, and pomegranates. In pomegranates, there are several therapeutic compounds but ellagic acid is the most active and abundant. Ellagic acid is also present in vegetables. Ellagic acid is an investigational drug studied for treatment of Follicular Lymphoma (phase 2 trial), protection from brain injury of intrauterine growth restricted babies (phase 1 and 2 trial), improvement of cardiovascular function in adolescents who are obese (phase 2 trial), and topical treatment of solar lentigines. Ellagic acid's therapeutic action mostly involves antioxidant and anti-proliferative effects.\r\n\r\n","Classification":{"Description":"This compound belongs to the hydrolyzable tannins. These are tannins whose structure is characterized by either ofthe following models","DirectParent":"Hydrolyzable Tannins","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tannins","SubClass":"Hydrolyzable Tannins"},"Indication":"Ellagic acid is being investigated for use in follicular lymphoma, brain injury in intrauterine growth restricted babies, obese adolescents, and solar lentigines.","Toxicity":"","MechanismOfAction":"The exact mechanism of action of ellagic acid in its different potential indications is still being investigated.","Pharmacodynamics":"Ellagic acid's therapeutic action mostly involves antioxidant and anti-proliferative/anti-cancer effects.","Absorption":"After oral consumption, ellagic acid reaches maximum concentrations in about 1 hour. ","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB08847","Name":"Hydroxyproline","DrugType":"small molecule","HalfLife":"","Description":"Hydroxyproline is a neutral heterocyclic protein amino acid. It is found in collagen and as such it is common in many gelatin products. Hydroxyproline is mostly used as a diagnostic marker of bone turnover and liver fibrosis. Therapeutically, hydroxyproline is being studied as an an experimental medicine but is approved in France as a combination topical gel product called Cicactive for small, superficial wounds. ","Classification":{"Description":"This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.","DirectParent":"Alpha Amino Acids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used in France as a combination product for the treatment of small, superficial wounds.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Hydroxyproline as well as proline and glycine are the major components of collagen. Collagen is on one of the main building blocks of connective tissue such as skin, bone, and cartilage. Thus when these tissues are damaged, hydroxyproline is necessary for repair of the damaged area.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"experimental":true},"Pathways":null},{"ID":"DB08848","Name":"Guvacine","DrugType":"small molecule","HalfLife":"","Description":"Guvacine is a pyridine alkaloid found in the Areca nut (also known as the Betel nut). It is an experimental drug with no approved indication. Experimental studies are still being investigated to determine all of the physiological effects and mechanisms of action of guvacine. Currently it has been determined that guvacine is a specific GABA reuptake inhibitor with no significant affinity at GABA receptors. ","Classification":{"Description":"This compound belongs to the alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.","DirectParent":"Alkaloids and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Alkaloids and Derivatives","Class":"","SubClass":""},"Indication":"There is no approved indication for guvacine.","Toxicity":"","MechanismOfAction":"Experimental studies are still being investigated to determine the exact mechanisms of action of guvacine. What is known is that guvacine binds selectively to presynaptic GABA reuptake transporters and prevents the reuptake of GABA, but has no affinity for GABA postsynaptic receptors.","Pharmacodynamics":"Experimental studies are still being investigated to determine all of the physiological effects of guvacine.","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000094","Name":"Guvacine hydrochloride "}],"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08860","Name":"Pitavastatin","DrugType":"small molecule","HalfLife":"Plasma elimination half-lfie = 12 hours ","Description":"Pitavastatin a lipid-lowering agent that belongs to the statin class of medications for treatment of dyslipidemia. It is also used for primary and secondary prevention of cardiovascular disease. FDA approved in Aug 3, 2009. ","Classification":{"Description":"This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.","DirectParent":"Phenylquinolines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Quinolines and Derivatives","SubClass":"Phenylquinolines"},"Indication":"Pitavastatin is used to lower serum levels of total cholesterol, LDL-C, apolipoprotein B, and triglycerides, and raise levels of HDL-C for the treatment of dyslipidemia. ","Toxicity":"The most frequent adverse reactions (rate ≥2.0% in at least one marketed dose) were myalgia, back pain, diarrhea, constipation and pain in extremity. ","MechanismOfAction":"Pitavastatin is lipid-lowering agent that works to control the synthesis of cholesterol via competitive inhibition of the liver enzyme, 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase. As a result, a compensatory increase in LDL-receptor expression can be observed which facilitates an increase LDL catabolism. ","Pharmacodynamics":"The magnitude of LDL-C reduction by pitavastatin (2 mg and 4 mg) is comparable to atorvastatin (10 mg and 20 mg) and simvastatin (20 mg and 40 mg). It also does not prolong the QTc interval to a clinically significant degree. ","Absorption":"Bioavailability = 51%;\r\nTime to peak, plasma = 1 hour;\r\nPitavastatin was absorbed in the small intestine but very little in the colon. Cmax decreases by 43% if pitavastatin is taken with a fatty meal but there are no significant changes to AUC or baseline LDL levels compared to fasting state. The Cmax and AUC of pitavastatin did not differ following evening or morning drug administration. ","Interactions":[{"ID":"DB01072"},{"ID":"DB01394"},{"ID":"DB00091"},{"ID":"DB00199"},{"ID":"DB01039"},{"ID":"DB01241"},{"ID":"DB01601"},{"ID":"DB00627"},{"ID":"DB01045"},{"ID":"DB01045"}],"Salts":[{"ID":"DBSALT000140","Name":"Pitavastatin Calcium "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08864","Name":"Rilpivirine","DrugType":"small molecule","HalfLife":"34-55 hours after oral administration ","Description":"Rilpivirine is non-nucleoside reverse transcriptase inhibitor (NNRTI) which is used for the treatment of HIV-1 infections in treatment-naive patients. It is a diarylpyrimidine, a class of molecules that resemble pyrimidine nucleotides found in DNA. Because of its flexible chemical structure, resistance of rilpivirine is less likely to develop than other NNRTI's. FDA approved on May 20, 2011. ","Classification":{"Description":"This compound belongs to the benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.","DirectParent":"Benzonitriles","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzonitriles"},"Indication":"Treatment of HIV-1 infections in treatment-naive patients with HIV-1 RNA ≤100,000 copies/mL in combination with at least 2 other antiretroviral agents. ","Toxicity":"Oral, mouse: LD50 = 300 mg/kg; Oral, rabbit: LD50 = 3200 mg/kg; Oral, rat: LD50 = 980 mg/kg.","MechanismOfAction":"Rilpivirine is an NNRTI which binds to reverse transcriptase which results in a block in RNA and DNA- dependent DNA polymerase activities. One such activity is HIV-1 replication. Intracellular phosphorylation is not necessary for its antiviral activity. Because of the structure of rilpivirine is flexible around the aromatic rings, the molecule can have multiple conformations so that can bind to residues in the reverse transcriptase enzyme which have a lower mutation rate. ","Pharmacodynamics":"Rilpivirine is the most potent NNRTI and has a EC50 of 0.73 nM in vitro against HIV-1 because its chemical structure allowed for better binding to reverse transcriptase. ","Absorption":"Rilpivirine demonstrates dose-dependent pharmacokinetics and does not change between subscutaneous, IV, and intramuscular administration. Absorption increases with meals.\r\nTmax, oral administration = 4 hours;\r\n","Interactions":[{"ID":"DB00564"},{"ID":"DB00705"},{"ID":"DB01234"},{"ID":"DB00625"},{"ID":"DB00736"},{"ID":"DB06414"},{"ID":"DB00927"},{"ID":"DB00448"},{"ID":"DB00333"},{"ID":"DB00338"},{"ID":"DB00776"},{"ID":"DB00213"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01129"},{"ID":"DB00863"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"}],"Salts":[{"ID":"DBSALT000152","Name":"Rilpivirine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08865","Name":"Crizotinib","DrugType":"small molecule","HalfLife":"Plasma terminal half-life, patients = 42 hours ","Description":"Crizotinib an inhibitor of receptor tyrosine kinase for the treatment of non-small cell lung cancer (NSCLC). Verification of the presence of ALK fusion gene is done by Abbott Molecular's Vysis ALK Break Apart FISH Probe Kit. This verification is used to select for patients suitable for treatment. FDA approved in August 26, 2011. ","Classification":{"Description":"This compound belongs to the pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.","DirectParent":"Pyrazolylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Pyrazolylpyridines"},"Indication":"Crizotinib is used for the treatment of locally advanced or metastatic non-small cell lung cancer (NSCLC) that is anaplastic-lymphoma kinase (ALK)-positive as detected by a FDA-approved test. ","Toxicity":"","MechanismOfAction":"Crizotinib is a tyrosine kinase receptor inhibitor. More specifically, it inhibits anaplastic lymphoma kinase (ALK), hepatocyte growth factor receptor (HGFR, c-MET), and Recepteur d'Origine Nantais (RON). Abnormalities in the ALK gene caused by mutations or translocations may lead to expression of oncogenic fusion proteins. In patients with NSCLC, they have the EML4-ALK gene. Crizotinib inhibits ALK tyrosine kinase which ultimately results in decreased proliferation of cells that carry the genetic mutation and tumour survivability. ","Pharmacodynamics":"","Absorption":"The peak serum concentration was reached in 4 to 6 hours following an oral single-dose administration. Steady state was reached within 15 days when a dose of 250 mg twice daily was administered. The mean absolute bioavailability was 43% (range of 32% to 66%) following a single 250 mg oral dose. When taken with high-fat meal, AUC and Cmax were reduced. ","Interactions":[{"ID":"DB06616"},{"ID":"DB00604"},{"ID":"DB00280"},{"ID":"DB04855"},{"ID":"DB06414"},{"ID":"DB00588"},{"ID":"DB01026"},{"ID":"DB08827"},{"ID":"DB00683"},{"ID":"DB00683"},{"ID":"DB00904"},{"ID":"DB00908"},{"ID":"DB01045"},{"ID":"DB01045"},{"ID":"DB00864"},{"ID":"DB00679"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08866","Name":"Estradiol valerate/Dienogest","DrugType":"small molecule","HalfLife":"The terminal half-life of estradiol is approximately 14 hours.\r\nThe terminal half-life of dienogest is approximately 11 hours.","Description":"Estradiol valerate/Dienogest is a Combined oral contraceptive (COC) indicated for use by women to prevent pregnancy. It is also indicated for the treatment of heavy menstrual bleeding in women.\r\n\r\nThe efficacy of Estradiol valerate/Dienogest in women with a body mass index of \r\n\u003e30 kg/m2 has not been evaluated.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Indicated for use by women for pregnancy prevention.\r\nAlso indicated for the treatment of heavy menstrual bleeding in women without organic pathology who choose to use an oral contraceptive as their method of birth control. ","Toxicity":"","MechanismOfAction":"Estradiol valerate/Dienogest lower the risk of becoming pregnant primarily by suppressing ovulation. Additionally, cervical mucus changes that inhibit sperm penetration and endometrial changes that reduce the likelihood of implantation are other possible mechanisms. ","Pharmacodynamics":"Estradiol valerate is a synthetic prodrug of 17ß-estradiol, while dienogest (DNG) is a progestin. DNG displays properties of 19-nortestosterone derivatives as well as properties associated with progesterone derivatives.","Absorption":"","Interactions":[{"ID":"DB00559"},{"ID":"DB00564"},{"ID":"DB01234"},{"ID":"DB00625"},{"ID":"DB01320"},{"ID":"DB00607"},{"ID":"DB00238"},{"ID":"DB04938"},{"ID":"DB00312"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00794"},{"ID":"DB00615"},{"ID":"DB01201"},{"ID":"DB01323"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08868","Name":"Fingolimod","DrugType":"small molecule","HalfLife":"6-9 days","Description":"Fingolimod is a sphingosine 1-phosphate receptor modulator indicated and approved for the treatment of relapsing-remitting multiple sclerosis. ","Classification":{"Description":"This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.","DirectParent":"Phenylpropylamines","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenylpropylamines"},"Indication":"Fingolimod is a sphingosine 1-phosphate receptor modulator indicated for the treatment of patients with relapsing forms of multiple sclerosis to reduce the frequency of clinical exacerbations and to delay the accumulation of physical disability.","Toxicity":"Bradyarrhythmia and Atrioventricular Blocks\r\nRisk of infections\r\nMacular Edema\r\nRespiratory Effects\r\nHepatic Effects \r\nFetal Risk\r\nBlood Pressure Effects\r\nImmune System Effects Following Fingolimod Discontinuation","MechanismOfAction":"Fingolimod is metabolized by sphingosine kinase to the active metabolite, fingolimod-phosphate. Fingolimod-phosphate is a sphingosine 1-phosphate receptor modulator, and binds with high affinity to sphingosine 1-phosphate receptors 1, 3, 4, and 5. Fingolimod-phosphate blocks the capacity of lymphocytes to egress from lymph nodes, reducing the number of lymphocytes in peripheral blood. The mechanism by which fingolimod exerts therapeutic effects in multiple sclerosis is unknown, but may involve reduction of lymphocyte migration into the central nervous system. ","Pharmacodynamics":"Fingolimod causes a transient reduction in heart rate and AV conduction at treatment initiation.\r\nPotential to prolong the QT interval.\r\nEffects on immune cell numbers in the blood- decreased lymphocyte counts.\r\nMild decrease in the neutrophil count- about 80% of original pre-therapy count.\r\nCompared to placebo, antigen-specific IgM titers were decreased by 91% and 25% in response to KLH and PPV, respectively.\r\nIgG titers were decreased by 45% and 50%, in response to KLH and PPV.\r\nThe capacity to mount a skin delayed-type hypersensitivity reaction to Candida and tetanus toxoid was decreased by approximately 30% in subjects on fingolimod 0.5 mg daily, compared to placebo. Immunologic responses were further decreased with fingolimod 1.25 mg (a dose higher than recommended for MS).\r\nSingle fingolimod doses ≥5 mg (10-fold the recommended dose) are associated with a dose-dependent increase in airway resistance. ","Absorption":"The Tmax of fingolimod is 12-16 hours. \r\nBioavailability: 93% ","Interactions":[{"ID":"DB01118"},{"ID":"DB08879"},{"ID":"DB00280"},{"ID":"DB00204"},{"ID":"DB04855"},{"ID":"DB00308"},{"ID":"DB01026"},{"ID":"DB01035"},{"ID":"DB00908"},{"ID":"DB00489"}],"Salts":[{"ID":"DBSALT000580","Name":"Fingolimod Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB08869","Name":"Tesamorelin","DrugType":"biotech","HalfLife":"26 and 38 minutes in healthy subjects and HIV-infected patients, respectively.","Description":"Tesamorelin is a stabilized synthetic peptide analogue of the hypothalamic peptide, Growth Hormone Releasing Hormone (GHRH) indicated for the reduction of excess abdominal fat in HIV-infected patients with lipodystrophy. Lipodystrophy is a metabolic condition characterized by insulin resistance, fat redistribution, and hyperlipidemia associated with antiretroviral therapy for HIV infection. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Tesamorelin acetate is a synthetic analogue of human hypothalamic Growth Hormone Releasing Factor (hGRF) indicated to induce and maintain a reduction of excess abdominal fat in HIV-infected patients with lipodystrophy. ","Toxicity":"Diarrhea, congestive heart failure, peripheral neuropathy, and loss of \r\nmobility were the four serious adverse events reported during \r\nthe clinical studies","MechanismOfAction":"By acting on the pituitary cells in the brain, tesamorelin stimulates production and release of the endogenous hormone (hGRF). Tesamorelin therapy predisposes the patient to glucose intolerance and can also increase the risk of type 2 diabetes, so the drug is contraindicated in pregnancy. ","Pharmacodynamics":"Tesamorelin stimulates growth hormone secretion, and subsequently increases IGF-1 and IGFBP-3 levels.","Absorption":"The absolute bioavailability was determined to be less than 4% in healthy adult subjects following a 2 mg subcutaneous dose.","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB08870","Name":"Brentuximab vedotin","DrugType":"biotech","HalfLife":"The terminal half-life is 4-6 days. ","Description":"Brentuximag vedotin or Adcetris® is an antibody-drug conjugate that combines an anti-CD30 antibody and the drug monomethyl auristatin E (MMAE). It is an anti-neoplastic agent used in the treatment of Hodgkin lymphoma and systemic anaplastic large cell lymphoma. Brentuximag vedotin was approved in 2011, and in January 2012, the drug label was revised to include a boxed warning of progressive multifocal leukoencephalopathy and death following JC virus infection. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in the treatment of Hodgkin lymphoma and systemic anaplastic large cell lymphoma.","Toxicity":"The most severe toxic reaction seen in patients is progressive multifocal leukoencephalopathy. Other toxicities include bone marrow suppression, infusion reactions, peripheral neuropathy, Stevens-Johnson syndrome, and tumor lysis syndrome.","MechanismOfAction":"Brentuximab vedotin is composed of 3 parts: a chimeric human-murine IgG1 that targets CD30, monomethyl auristatin E (MMAE),which is a microtubule disrupting agent, and a protease-susceptible linker that covalently links the antibody and MMAE. The IgG1 antibody enables brentuximab vedotin to target tumor cells expressing CD30 on their cell surface then brentuximab vedotin gets internalized into the cell. Once inside, the linker is cleaved releasing MMAE which binds disrupts the microtuble network. ","Pharmacodynamics":"Brentuximag vedotin causes apoptosis of tumor cells by preventing cell cycle progression of the G2 to M phase through disruption of the cytosolic mictrotuble network.","Absorption":"Brentuximab vedotin is administered only as an intravenous infusion so absorption is 100%.","Interactions":[{"ID":"DB00290"},{"ID":"DB06414"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB00864"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08871","Name":"Eribulin","DrugType":"small molecule","HalfLife":"about 40 hours","Description":"Eribulin is a microtubule inhibitor indicated for the treatment of patients with metastatic breast cancer who have previously received at least two chemotherapeutic regimens for the treatment of metastatic disease. Eribulin was isolated from the marine sponge Halichondria okadai. Eribulin is also being investigated for use in the treatment of advanced solid tumors. [PMID: 23010853]","Classification":{"Description":"This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.","DirectParent":"Hexoses","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Monosaccharides"},"Indication":"For the treatment of patients with metastatic breast cancer who have previously received at least two chemotherapeutic regimens for the treatment of metastatic cancer. ","Toxicity":"Peripheral neuropathy was the most common toxicity leading to discontinuation of eribulin (5 percent). [Richard Pazdur, M.D., director of the FDA's Division of Oncology Drug Products.]\r\nSingle doses of 0.75 mg/kg were lethal to rats and two doses of 0.075 mg/kg were lethal to dogs. The no-observed-adverse-effect level (NOAEL) in rats and dogs were 0.015 and 0.0045 mg/kg/day, respectively.","MechanismOfAction":"Eribulin inhibits the growth phase of microtubules without affecting the shortening phase and sequesters tubulin into nonproductive aggregates. Eribulin exerts its effects via a tubulin-based antimitotic mechanism leading to G2/M cell-cycle block, disruption of mitotic spindles, and, ultimately, apoptotic cell death after prolonged mitotic blockage. [FDA]","Pharmacodynamics":"Linear","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB08872","Name":"gabapentin enacarbil","DrugType":"small molecule","HalfLife":"The elimination half-life of gabapentin is 5.1 to 6.0 hours.","Description":"Gabapentin enacarbil is marketed under the name Horizant®. It is a prodrug of gabapentin, and indicated in adults for the treatment of Restless Legs Syndrome (RLS) and postherpetic neuralgia (PHN). ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of adult Restless Legs Syndrome (RLS) and postherpetic neuralgia (PHN).","Toxicity":"Most common adverse reactions are headache, dizziness, and somnolence.","MechanismOfAction":"Although the exact mechanism of action of gabapentin in RLS and PHN is unknown, it is presumed to involve the descending noradrenergic system, resulting in the activation of spinal alpha2-adrenergic receptors. ","Pharmacodynamics":"Since gabapentin enacarbil is a prodrug of gabapentin, it's physiological effects are the same as gabapentin. Concerning PHN, gabapentin prevents allodynia and hyperalgesia.\r\n","Absorption":"Gabapentin enacarbil is absorbed in the intestines by active transport through the proton-linked monocarboxylate transporter, MCT-1. ","Interactions":[{"ID":"DB00972"},{"ID":"DB00898"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08873","Name":"Boceprevir","DrugType":"small molecule","HalfLife":"Mean plasma half-life = 3.4 hours ","Description":"Boceprevir is a direct acting protease inhibitor for the treatment of hepatitis C. It also has two isomers in which the S isomer is more active than the R-isomer. FDA approved on May 13, 2011. ","Classification":{"Description":"This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).","DirectParent":"Hybrid Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Treatment of chronic hepatitis C genotype 1 in patients that have a compensated liver (as a result of liver diseases like cirrhosis) and are previously untreated or therapy with peginterferon alfa and ribavirin has failed. ","Toxicity":"","MechanismOfAction":"Boceprevir inhibits replication of the hepatitis C virus by binding reversibly to nonstructural protein 3/4a (NS3 and NS4A respectively) serine protease. NS4A is a cofactor that works with NS3 for viral replication. ","Pharmacodynamics":"Telaprevir is a direct-acting antiviral agent (DAA) against the hepatitis C virus.","Absorption":"Food increases exposure of boceprevir by up to 65% relative to fasting state. However, type of food and time of meal does not affect bioavailability of boceprevir and thus can be taken without regards to food. \r\nTmax = 2 hours;\r\nTime to steady state, three times a day dosing = 1 day;\r\nCmax, 400 mg single dose, healthy subject = 557 ng/mL;\r\nAUC ∞, healthy subject = 2020 ng · h/mL;","Interactions":[{"ID":"DB00346"},{"ID":"DB01076"},{"ID":"DB00564"},{"ID":"DB00604"},{"ID":"DB00872"},{"ID":"DB00320"},{"ID":"DB01395"},{"ID":"DB06414"},{"ID":"DB01320"},{"ID":"DB08827"},{"ID":"DB00683"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01100"},{"ID":"DB08901"},{"ID":"DB00175"},{"ID":"DB01045"},{"ID":"DB00877"},{"ID":"DB01323"},{"ID":"DB00864"},{"ID":"DB00820"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08874","Name":"Fidaxomicin","DrugType":"small molecule","HalfLife":"200 mg, healthy subjects = 11.7 hours ","Description":"One of the first narrow spectrum macrocyclic antibiotic, it is a natural compound and is structurally similar to compounds in lipiarmycin-a fermentation mixture. FDA approved on May 27, 2011. ","Classification":{"Description":"This compound belongs to the macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.","DirectParent":"Macrolides and Analogues","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Macrolides and Analogues","SubClass":""},"Indication":"Treatment of Clostridium difficile-associated diarrhea","Toxicity":"","MechanismOfAction":"Fidaxomicin is a bactericidal-type antibiotic that inhibits RNA polymerase sigma subunit. RNA polymerase is responsible for transcription in the bacteria therefore fidaxomicin will inhibit protein synthesis. As a result, apoptosis is triggered in susceptible organisms such as C. difficile.","Pharmacodynamics":"The minimum inhibitory concentration for 90% of organisms for fidaxomicin against C. difficile is 0.9978 to 2 µg/mL. ","Absorption":"Fidaxomicin is not systemically absorbed as shown by a plasma concentrations below the lower limit of quantification after single-dose or multiple-dose. In contrast, fecal concentrations of fidaxomicin are much higher and are concentration-dependent.\r\nCmax = 2 hours;\r\nTmax = 5.2 ng/mL; \r\nAUC = 14 ng•hr/mL ","Interactions":[{"ID":"DB00091"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08875","Name":"Cabozantinib","DrugType":"small molecule","HalfLife":"Cabozantinib has a long half-life of 55 hours.","Description":"Cabozantinib was approved in 2012 and is a non-specific tyrosine kinase inhibitor. It is marketed as COMETRIQ™, which is indicated for the treatment of metastatic medullary thyroid cancer. It's label includes a black box warning of gastrointestinal perforations, fistulas, and hemorrhage. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For the treatment of metastatic medullary thyroid cancer. ","Toxicity":"Cabozantinib has a black box warning of serious gastrointestinal fistulas and perforations, and potentially fatal hemoptysis and gastrointestinal hemorrhage.","MechanismOfAction":"Cabozantinib inhibits specific receptor tyrosine kinases such as VEGFR-1, -2 and -3, KIT, TRKB, FLT-3, AXL, RET, MET, and TIE-2.","Pharmacodynamics":"Cabozantinib suppresses metastasis, angiogenesis, and oncognesis by inhibiting receptor tyrosine kinases.","Absorption":"After oral administration, peak plasma concentration was achieved in 2-5 hours.","Interactions":[{"ID":"DB06414"},{"ID":"DB01323"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08876","Name":"Taliglucerase Alfa","DrugType":"biotech","HalfLife":"The half life is between 18.9 to 28.7 min.","Description":"Taliglucerase alfa is the recombinant active form of the human lysosomal enzyme, β-glucocerebrosidase. It was approved in 2012 and is marketed under the name Elelyso for use in patients with type 1 Gaucher's disease.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"For the treatment of adult Type 1 Gaucher disease. ","Toxicity":"The most common toxic reaction seen was infusion reactions such as urticaria, arthralgia, headache, and chest pain due to IV administration.","MechanismOfAction":"Taliglucerase alfa is different from human glucocerebrosidase by two amino acids at the N terminal and up to 7 amino acids at the C terminal. This recombinant enzyme allows the hydrolysis reaction of glucocerebroside to glucose and ceramide that naturally occurs in healthy individuals.","Pharmacodynamics":"Patient's with Type 1 Gaucher disease have a long-term deficiency in the enzyme, glucocerebrosidase. Taliglucerase alfa is a modified form of glucocerebrosidase and is provided to counter this enzyme deficiency, resulting in smaller liver and spleen size, and improved thrombocytopenia and anemia.","Absorption":"Taliglucerase alfa is administered IV so absorption is 100%.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08877","Name":"Ruxolitinib","DrugType":"small molecule","HalfLife":"Mean elimination half-life, 15 mg, healthy subject = 2.8 hours. ","Description":"Ruxolitinib is a janus-associated kinase inhibitor indicated to treat bone marrow cancer, specifically intermediate or high-risk myelofibrosis. FDA approved on November 16, 2011. ","Classification":{"Description":"This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.","DirectParent":"Pyrrolopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyrrolopyrimidines","SubClass":""},"Indication":"Treatment of intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera (post-PV) myelofibrosis and post-essential thrombocythemia (post-ET) myelofibrosis. [Lexicomp] Myeolofibrosis is the proliferation of abnormal bone marrow stem cells which cause fibrosis (the excessive formation of connective tissue).","Toxicity":"Thrombocytopenia was the dose-limiting toxicity. ","MechanismOfAction":"Ruxolitinib is a kinase inhibitor that is selective for the Janus Associated Kinases (JAK) 1 and 2. These kinases are responsible for the mediation of cytokine and growth factor signalling which in turn effect immune function and hematopoiesis. The signalling process involves signal transducers and transcription activators (STAT) which modulate gene expression. Patients with myelofibrosis have abnormal JAK1 and JAK2 activity thus ruxolitinib works to regulate this. ","Pharmacodynamics":"The mean half-maximal inhibitory concentration (IC50) for JAK 1 and JAK 2 are 2.8 nmol/L and 3.3 nmol/L respectively. After administration of ruxolitinib, a decrease in levels of phosphorylated STAT (marker for JAK activity) in a dose-dependent manner can be observed. Pharmacodynamic resistance has not been observed. ","Absorption":"Absorption is rapid and is not affected by food. \r\nCmax, 15 mg, healthy subject = 649 nmol/L; \r\nTmax, 15 mg, healthy subject = 1.5 hours;\r\nRuxolitinib does not accumulate significantly. \r\n","Interactions":[{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01045"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000156","Name":"Ruxolitinib Phosphate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08878","Name":"Aminopterin","DrugType":"small molecule","HalfLife":"","Description":"Aminopterin is an amino derivative of folic acid, which was once used as an antineoplastic agent in the treatment of pediatric leukemia. In the 1950's its production was discontinued in favor of methotrexate, which is less potent but less toxic. Off label, aminopterin has also been used in the treatment of psoriasis. Clinicians need to be aware of the characteristic teratologic effects of aminopterin and methotrexate. ","Classification":{"Description":"This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.","DirectParent":"Hippuric Acid Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Prior to its withdrawal, aminopterin was initially used in the treatment of childhood leukemia; specifically to induce remissions. Later, aminopterin was used off-label in the United States to treat psoriasis, yielding dramatic lesion clearing. Aminopterin was later supplanted by methotrexate for treating cancer because of its better therapeutic index. Aminopterin (as well as methotrexate) has also been explored for use as an abortifacient. However, their association with severe congenital malformations and teratogenic effects have become known as fetal aminopterin syndrome. ","Toxicity":"","MechanismOfAction":"Aminopterin is an amino derivative of folic acid which binds competitively to the dihydrofolate reductase enzyme to block tetrahydrofolate synthesis. Tetrahydrofolate is essential in the production of purines and pyrimadines, thus it's deficiency results in a reduction of DNA, RNA and protein synthesis. ","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB08879","Name":"Belimumab","DrugType":"biotech","HalfLife":"Terminal elimination half-life, 10 mg/kg, SLE patients= 19.4 days; Distribution half-life, 10 mg/kg, SLE patients = 1.75 days.","Description":"Belimumab is an intravenous immunosupressant for the adjunctive treatment of systemic lupus erythematosus (SLE). More specifically, it is a fully human recombinant IgG1λ monoclonal antibody produced from a recombinant NS0 cell line stably transfected with the belimumab heavy chain and light chain genes. It is the first biological treatment approved for the indication of SLE. Concomitant use with live or inactivated vaccines must be avoided. Belimumab was FDA approved on March 9, 2011. Belimumab consists of 2 heavy chains, and 2 light chains of the lambda subclass. Each heavy chain contains 452 amino acid residues and each light chain contains 214 amino acid residues. There are 3 post-translational modifications: a conserved N-linked glycosylation on the CH2 domain at Asn 303 of the heavy chain, the conversion of the N-terminal glutamine residue of the heavy chain into pyroglutamate, and loss of C-terminal lysine residue of the heavy chain.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Adjunct treatment for auto-antibody-positive active systemic lupus erythematosus. ","Toxicity":"The most commonly-reported adverse reactions, occurring in ≥5% of patients in clinical trials were nausea, diarrhea, pyrexia, nasopharyngitis, bronchitis, insomnia, pain in extremity, depression, migraine, and pharyngitis. The most common serious adverse reactions were serious infections.","MechanismOfAction":"Belimumab selectively binds to soluble human B lymphocyte stimulator protein (BLyS) so that BLyS is unable to bind to receptors on B lymphocytes. The binding of BLyS to its receptor is essential for the survival of B lymphocytes. Consequently, belimumab reduces B-cell mediated immunity and the autoimmune response.\r\n","Pharmacodynamics":"By the 52nd week of treatment with belimumab, a reduction in CD19+, CD20+, naive and activated B cells, plasma cells, plasmacytoid cells, and SLE B-cell subset can be observed. Reductions in plasma cells and SLE B-cell subset can be seen by the eighth week and these levels were maintained to week 52. Belimumab also reduced levels of IgG and anti-dsDNA.","Absorption":"Cmax, 10 mg/kg, SLE patients = 313 µg/mL; AUC (0-∞), 10 mg/kg, SLE patients = 3083.","Interactions":[{"ID":"DB01281"},{"ID":"DB05773"},{"ID":"DB06681"},{"ID":"DB00112"},{"ID":"DB00531"},{"ID":"DB06643"},{"ID":"DB00005"},{"ID":"DB00005"},{"ID":"DB08868"},{"ID":"DB00056"},{"ID":"DB06674"},{"ID":"DB01005"},{"ID":"DB00078"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB08935"},{"ID":"DB00043"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08880","Name":"Teriflunomide","DrugType":"small molecule","HalfLife":"The median half-life is 18 to 19 days.","Description":"Teriflunomide is the active metabolite of leflunomide, and it acts as an immunomodulatory agent by inhibiting pyrimidine synthesis. It is marketed under the name Aubagio® and is indicated for the treatment of multiple sclerosis, specifically relapsing forms. The FDA label states an important warning about the risk of hepatoxicity and teratogenicity for patients using teriflunomide.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in the treatment of relapsing forms of multiple sclerosis (MS).","Toxicity":"Teriflunomide is contraindicated in pregnant women or women of childbearing age due to the risk of teratogenicity. Teriflunomide is also contraindicated in severe hepatic impairment due to reports of hepatotoxicity, hepatic failure, and death.","MechanismOfAction":"The exact mechanism by which teriflunomide acts in MS is not known. What is known is that teriflunomide prevents pyrimidine synthesis by inhibiting the mitochondrial enzyme\r\ndihydroorotate dehydrogenase, and this may be involved in its immunomodulatory effect in MS.","Pharmacodynamics":"Teriflunomide is an immunomodulatory agent that decreases the amount of activated CNS lymphocytes, which results in anti-inflammatory and antiproliferative effects.\r\n ","Absorption":"After oral administration of teriflunomide, maximum plasma concentrations are reached, on average, in 1-4 hours.\r\n\r\n","Interactions":[{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB00864"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08881","Name":"Vemurafenib","DrugType":"small molecule","HalfLife":"Elimination half-life = 57 hours (range of 30-120 hours) ","Description":"Vemurafenib is a BRAF enzyme inhibitor developed by Plexxikon and Genentech for the treatment of late-stage melanoma. [Wikipedia] The cobas® 4800 BRAF B600 mutation test provided by Roche Molecular Systems is the diagnostic test to confirm eligibility for treatment. FDA approved on August 17, 2011 under the company Hoffmann La Roche. ","Classification":{"Description":"This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.","DirectParent":"Phenylpyridines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridines and Derivatives","SubClass":"Phenylpyridines"},"Indication":"Treatment of unresectable or metastatic melanoma in patients with the BRAF-V600 mutation. ","Toxicity":"","MechanismOfAction":"Vemurafenib is an orally available inhibitor of mutated BRAF-serine-threonine kinase. It is especially potent against the BRAF V600E mutation. This mutation involves the substitution of glutamic acid for valine at codon 600. The BRAF oncogene, most of which have the V600E mutation, activates mitogen-activated kinase (MAPK) pathway which results in cell growth, proliferation, and metastasis. Vemurafenib blocks these downstream processes to inhibit tumour growth and eventually trigger apoptosis. Vemurafenib does not have antitumour effects against melanoma cell lines with the wild-type BRAF mutation. ","Pharmacodynamics":"","Absorption":"After oral administration of vemurafenib, it is well absorbed. Bioavailability is unknown. Peak concentrations are reached in 3 hours when an oral dose of 960 mg twice daily for 15 days has been given to patients. Exposure is highly variable between different patients. Gastrointestinal fluid content, pH, volumes, motility, transition time and bile composition may be factors affecting exposure. It is unknown how food affects the absorption of vemurafenib. \r\nTime to steady state = 15 - 22 days ","Interactions":[{"ID":"DB01072"},{"ID":"DB00201"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB00514"},{"ID":"DB00224"},{"ID":"DB06186"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00683"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00615"},{"ID":"DB01045"},{"ID":"DB01201"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB00976"},{"ID":"DB00582"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08882","Name":"Linagliptin","DrugType":"small molecule","HalfLife":"Terminal half life = 131 hours. Because of this long half-life, inhibition of DPP-4 activity is sustained which indicates that once-daily dosing is appropriate. Effective half-life for accumulation of drug is 12 hours when multiple oral doses of 5 mg are given. ","Description":"Linagliptin is a DPP-4 inhibitor developed by Boehringer Ingelheim for the treatment of type II diabetes [Wikipedia]. Two pharmacological characteristics that sets linagliptin apart from other DPP-4 inhibitors is that it has a non-linear pharmacokinetic profile and is not primarily eliminated by the renal system. FDA approved on May 2, 2011. ","Classification":{"Description":"This compound belongs to the xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.","DirectParent":"Xanthines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Imidazopyrimidines","SubClass":"Purines and Purine Derivatives"},"Indication":"Linagliptin is used for the management of type 2 diabetes mellitus. ","Toxicity":"","MechanismOfAction":"Linagliptin is a competitive and reversible dipeptidyl peptidase (DPP)-4 enzyme inhibitor that slows the breakdown of insulinotropic hormone glucagon-like peptide (GLP)-1 for better glycemic control in diabetes patients. GLP and glucose-dependent insulinotropic polypeptide (GIP) are incretin hormones that increase the production and release of insulin from pancreatic beta cells and decrease the release of glucagon from pancreatic alpha cells. This results in a overall decrease in glucose production in the liver and increase an of insulin in a glucose-dependent manner.","Pharmacodynamics":"Linagliptin is a more potent inhibitor of DPP-4 than other drugs that belong to the same class with an IC50 of 1 nM. In comparison, sitagliptin, saxagliptin, and vildagliptin have an IC50 of 19, 50, and 62 nM respectively. A dose of 2.5 and 5 mg reduces the activity of DPP-4 by 72.7% and 86.1% from baseline respectively in healthy male subjects. In diabetes patients, a dose of 5 and 10 mg inhibits \u003e90% of DPP-4. Linagliptin is also selectively inhibits DPP-4 as indicated by the lack of DPP-8 or DPP-9 inhibition at therapeutic exposures in vitro. ","Absorption":"Cmax, 5 mg, healthy subjects = 8.32 nmol/L; \r\nTmax, 5 mg, healthy subjects = 1.75 hours;\r\nAUC(0-24 hours), 5 mg, healthy subjects = 119 nmol · h/L;\r\nBioavailability, healthy subjects = 30%. \r\nWhen a dose of 5 mg once daily is given, steady state is achieved by the third dose. Although a high fat meal reduces Cmax and increases AUC, this interaction with food is not clinically significant. Linagliptin may be administered with or without food. ","Interactions":[{"ID":"DB00564"},{"ID":"DB06414"},{"ID":"DB00741"},{"ID":"DB00635"},{"ID":"DB01045"},{"ID":"DB00503"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08883","Name":"Perampanel","DrugType":"small molecule","HalfLife":"Perampanel has a long elmination half-life of about 105 hours.","Description":"Perampanel is a noncompetitive AMPA glutamate receptor antagonist. It is marketed under the name Fycompa™ and is indicated as an adjunct in patients over 12 years old for the treatment of partial-onset seizures that may or may not occur with generalized seizures. The FDA label includes an important black-boxed warning of serious or life-threatening behavioral and psychiatric reactions in patients taking Fycompa™.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in patients over 12 years old for the treatment of partial-onset seizures that may or may not occur with generalized seizures.","Toxicity":"The FDA label includes an important warning of serious or life-threatening behavioral and psychiatric adverse reactions including aggression, hostility, irritability, anger, and homicidal thoughts in patients taking perampanel.","MechanismOfAction":"The exact mechanism of action of perampanel in seizures is not yet determined, but it is known that perampanel decreases neuronal excitation by non-competitive ihibition of the AMPA receptor.","Pharmacodynamics":"Perampanel is involved in inhibiting neuronal excitation in the central nervous system leading to such effects as decreased pyschomotor performance.","Absorption":"After oral adminitration, perampanel is absorbed rapidly and completely.","Interactions":[{"ID":"DB06626"},{"ID":"DB00972"},{"ID":"DB01551"},{"ID":"DB00898"},{"ID":"DB06414"},{"ID":"DB00252"},{"ID":"DB01323"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08884","Name":"Gadoxetate","DrugType":"small molecule","HalfLife":"Terminal elimination half-life, healthy subjects, adults = 0.91 - 0.95 hours ","Description":"Gadoxetate is a paramagnetic gadolinium-containing contrast agent in which its salt form, gadoxetate disodium, is used for intravenous injection. Ethoxybenzyl diethylenetriaminepentaacetic acid is the moiety that chelates with a gadolinium ion and forms a stable complex with it to make up the drug. It is marketed by Bayer HealthCare Pharmaceuticals and FDA approved on July 3, 2008. ","Classification":{"Description":"This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.","DirectParent":"Amphetamines and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenethylamines"},"Indication":"Gadoxetate is used as a contrast medium for magnetic resonance imaging (MRI) to detect and characterize lesions in the liver. ","Toxicity":"LD50, oral, rat = 18100 mg/kg; \r\nLD50, oral, mouse = 14500 mg/kg;\r\nLD50, IV, rat = 3600 - 7300 mg/kg;\r\nLD50, IV, mouse = 5400 - 10900 mg/kg;\r\nLD50, IV, dog = \u003e2200 mg/kg ","MechanismOfAction":"When gadoxetate disodium is placed in an external magnetic field, a large magnetic moment is produced. As a result, a magnetic field is induced around the tissue. The water protons in the vicinity are disrupted such that the change the proton density and spin characteristics are detected and visualized by a device. ","Pharmacodynamics":"Gadoxetate disodium is an amphipathic compound in which gadoxetate is hydrophillic and its moiety, the ethoxybenyzl group, is lipophillic. Consequently, gadoxetate disodium has a biphasic mode of action in which it first distributes into the extracellular space after bolus injection and then hepatocytes selectively takes up the drug. ","Absorption":"","Interactions":[{"ID":"DB01045"}],"Salts":[{"ID":"DBSALT000091","Name":"Gadoxetate Disodium "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08885","Name":"Aflibercept","DrugType":"biotech","HalfLife":"Intravitreal half-life= 7.13 days in humans; \r\nTerminal elimination half-life of free aflibercept in plasma was 5 to 6 days after IV injection of 2 - 4 mg/kg dose. ","Description":"Aflibercept is a recombinant fusion protein that comprises of two main components: the vascular endothelial growth factor (VEGF) binding portions from the extracellular domains of human VEGF receptors 1 and 2 which is then fused to the Fc portion of human IgG1. Structurally, Aflibercept is a dimeric glycoprotein with a protein molecular weight of 96.9 kilo Daltons (kDa). It contains approximately 15% glycosylation to give a total molecular weight of 115 kDa. All five putative N-glycosylation sites on each polypeptide chain predicted by the primary sequence can be occupied with carbohydrate and exhibit some degree of chain heterogeneity, including heterogeneity in terminal sialic acid residues, except at the single unsialylated site associated with the Fc domain. Aflibercept, as an ophthalmic agent, is used in the treatment of macular edema following Central Retinal Vein Occlusion (CRVO) and neovascular Age-Related Macular Degeneration (AMD). Ziv-aflibercept, under the brand name Zaltrap, was developed as an injection for treatment of metastatic colorectal cancer. FDA approved in November 18, 2011 and EMA approved in November 2012.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"The opthalmic agent is used for the treatment of neovascular (wet) age-related mascular degeneration (AMD) and macular edema following central retinal vein occulsion (CRVO). The systemic injection, known as ziv-aflibercept, in combination with 5-fluorouracil, leucovorin, irinotecan-(FOLFIRI), is for the treatment of metastatic colorectal cancer that is resistant to or progressed following treatment with oxaliplatin. ","Toxicity":"For all intravitreal VEGF inhibitors, there is increased risk of stroke and myocardial infarction. An increase in intraocular pressure may also occur. When used intravenously, most common adverse reactions were leukopenia, diarrhea, neutropenia, proteinuria, AST increased, stomatitis, fatigue, thrombocytopenia, ALT increased, hypertension, weight decreased, decreased appetite, epistaxis, abdominal pain, dysphonia, serum creatinine increased, and headache.","MechanismOfAction":"Ablibercept is a recombinant fusion protein that acts as a decoy receptor for the ligands, vascular endothelial growth factor-A (VEGF-A) and placental growth factor (PIGF). It prevents these ligands to binding to endothelial receptors, VEGFR-1 and VEGFR-2, to suppress neovascularization and decrease vascular permeability. This ultimately will slow vision loss or the progression of metastatic colorectal cancer. ","Pharmacodynamics":"Compared to other anti-VEGF drugs like bevacizumab and ranibizumab, aflibercept has a higher binding affinity to VEGF-A (Kd = 0.5 pM). ","Absorption":"In patients with wet AMD and CRVO, the mean peak plasma concentration (Cmax) was 0.02 mcg/mL and 0.05 mcg/mL respectively. These concentrations were reached in 1 to 3 days. Aflibercept did not accumulate when administered as repeated doses intravitreally every 4 weeks. ","Interactions":[{"ID":"DB00363"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08886","Name":"Asparaginase Erwinia chrysanthemi","DrugType":"biotech","HalfLife":"Elimination half-life, IM injection = 16 hours, follows first-order kinetics. Compared to E.coli-asparaginase, it has a lower half-life so higher and more frequent doses are necessary. ","Description":"Erwinaze (asparaginase Erwiniachryanthemi) contains an asparaginase specific enzyme derived from Erwiniachrysanthemi. L-asparaginase is a tetrameric enzyme consisting of four identical subunits, each having a molecular weight of about 35 kDa. The activity of Erwinaze is expressed in terms of International Units. It is an antineoplastic agent and was FDA approved in November 19, 2011. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Asparaginase Erwinia chryanthemi is for the treatment of patients with acute lymphoblastic leukemia (ALL) that have developed a hypersensitivity to Escherichia coli-derivied asparaginase. It is a component of a multi-agent chemotherpeutic regimen for the treatment of the aforementioned disease and is considered second- or third- line treatment in European and American protocols. ","Toxicity":"Because Erwinaze is injected intramuscularly, there is a higher chance of experiencing major skin reactions. Although the perceived benefit of Erwinia chryanthemi-derivied asparaginase is a lower incidence of hypersensitivity, there is still a chance that one may experience symptoms such as, but not limited to, anaphylaxis, pain, edema. Hypersensitivity to Erwinia chryanthemi-derivied asparaginase may be more likely if the patient had previously had an allergy to E.coli-derived asparaginase. Pancreatitis may also occur during the first few weeks of treatment with asparaginase. In addition, other severe adverse effects associated with Asparaginase Erwinia chrysanthemi are glucose intolerance as well as thrombosis and hemorrhage.","MechanismOfAction":"Asparaginase Erwinia chrysanthemi catalyzes the deamidation of asparagine to aspartic acid and ammonia, resulting in a reduction in circulating levels of asparagine in the plasma. The mechanism of action of Erwinaze is thought to be based on the inability of leukemic cells to synthesize asparagine due to lack of asparagine synthetase activity, resulting in cytotoxicity specific for leukemic cells that depend on an exogenous source of the amino acid asparagine for their protein metabolism and survival.","Pharmacodynamics":"","Absorption":"denaturation and peptidase digestion within GI tract\r\n","Interactions":[{"ID":"DB01234"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08887","Name":"Icosapent ethyl","DrugType":"small molecule","HalfLife":"The half life of EPA is 89 hours. ","Description":"Icosapent ethyl or ethyl eicosapentaenoic acid is a synthetic derivative of the omega-3 fatty acid eicosapentaenoic acid (EPA). It is used as adjunct therapy for severe hypertriglyceridemia (TG levels \u003e 500 mg/dL). FDA approved on July 26, 2012. ","Classification":{"Description":"This compound belongs to the fatty acid esters. These are carboxylic ester derivatives of a fatty acid.","DirectParent":"Fatty Acid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Fatty Acid Esters","SubClass":""},"Indication":"Icosapent ethyl is used as adjunct therapy to reduce triglyceride (TG) levels in adults with severe (\u003e500 mg/dL) hypertriglyceridemia. ","Toxicity":"Icosapent ethyl is generally well tolerated and adverse effects are unrelated to treatment. ","MechanismOfAction":"Studies suggest that EPA reduces hepatic very low-density lipoprotein triglycerides (VLDL-TG) synthesis and/or secretion and enhances TG clearance from circulating VLDL particles. Potential mechanisms of action include increased β-oxidation; inhibition of acyl-CoA:1,2-diacylglycerol acyltransferase (DGAT); decreased lipogenesis in the liver; and increased plasma lipoprotein lipase activity.","Pharmacodynamics":"","Absorption":"Icosapent ethyl is de-esterfied, converted into active EPA, and then absorbed in the small intestine. It reaches peak plasma concentration in 5 hours post-oral administration. Very little (\u003c1%) is left circulating in the plasma as EPA incorporates into phospholipids, TG's, and cholesteryl esters. ","Interactions":null,"Salts":null,"Groups":{"approved":true,"nutraceutical":true},"Pathways":null},{"ID":"DB08888","Name":"Ocriplasmin","DrugType":"biotech","HalfLife":"","Description":"Ocriplasmin is a recombinant truncated form of human plasmin with a molecular weight of 27.2 kDa produced by recombinant DNA technology in a Pichia pastoris expression system. Ocriplasmin is a protein made up of 249 amino acids and has two peptide chains. Agent for pharmacologic vitreolysis; thrombolytic agent. FDA approved in October 17, 2012. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Ocriplasmin is a proteolytic enzyme indicated for the treatment for symptomatic vitreomacular adhesion. ","Toxicity":"The most commonly reported reactions (≥ 5%) in patients treated with ocriplasmin were vitreous floaters, conjunctival hemorrhage, eye pain, photopsia, blurred vision, macular hole, reduced visual acuity, visual impairment, and retinal edema.","MechanismOfAction":"Ocriplasmin has proteolytic activity against protein components of the vitreous body and the vitreoretinal interface (VRI) (e.g. laminin, fibronectin and collagen), thereby dissolving the protein matrix responsible for the vitreomacular adhesion (VMA).","Pharmacodynamics":"","Absorption":"Because of the small dose administered (0.125 mg), ocriplasmin is not expected to be in the systemic circulation following injection. Within 30 minutes after injection, levels of ocriplasmin in the vitreous are 12 mcg/mL. 24 hours after injection, levels in the virtreous are 0.5 mcg/mL ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08889","Name":"Carfilzomib","DrugType":"small molecule","HalfLife":"Following intravenous administration of doses ≥ 15 mg/m^2, carfilzomib was rapidly cleared from the systemic circulation with a half-life of ≤ 1 hour on Day 1 of Cycle 1.","Description":"Carfilzomib is an injectable antineoplastic agent (IV only). Chemically, it is a modified tetrapeptidyl epoxide and an analog of epoxomicin. It is also a selective proteasome inhibitor. FDA approved on July 20, 2012. ","Classification":{"Description":"This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Carfilzomib is indicated for the treatment of patients with multiple myeloma who have received at least two prior therapies including bortezomib and an immunomodulatory agent and have demonstrated disease progression on or within 60 days of completion of the last therapy. Approval is based on response rate. ","Toxicity":"Most commonly reported adverse reactions (incidence ≥ 30%) are fatigue, anemia, nausea, thrombocytopenia, dyspnea, diarrhea, and pyrexia. The two dose limiting toxicities are thrombocytopenia and febrile neutropenia. \r\nMaximum tolerate dose = 15 mg/m^2 ","MechanismOfAction":"Carfilzomib is made up of four modified peptides and acts as a proteasome inhibitor. Carfilzomib irreversibly and selectively binds to N-terminal threonine-containing active sites of the 20S proteasome, the proteolytic core particle within the 26S proteasome. This 20S core has 3 catalytic active sites: the chymotrypsin, trypsin, and caspase-like sites. Inhibition of the chymotrypsin-like site by carfilzomib (β5 and β5i subunits) is the most effective target in decreasing cellular proliferation, ultimately resulting in cell cycle arrest and apoptosis of cancerous cells. At higher doses, carfilzomib will inhibit the trypsin-and capase-like sites. ","Pharmacodynamics":"Intravenous carfilzomib administration resulted in suppression of proteasome chymotrypsin-like activity when measured in blood 1 hour after the first dose. On Day 1 of Cycle 1, proteasome inhibition in peripheral blood mononuclear cells (PBMCs) ranged from 79% to 89% at 15 mg/m2, and from 82% to 83% at 20 mg/m2. In addition, carfilzomib administration resulted in inhibition of the LMP2 and MECL1 subunits of the immunoproteasome ranging from 26% to 32% and 41% to 49%, respectively, at 20 mg/m2. Proteasome inhibition was maintained for ≥ 48 hours following the first dose of carfilzomib for each week of dosing. Resistance against carfilzomib has been observed and although the mechanism has not been confirmed, it is thought that up-regulation of P-glycoprotein may be a contributing factor. Furthermore, studies suggest that carfilzomib is more potent than bortezomib. ","Absorption":"Cmax, single IV dose of 27 mg/m^2 = 4232 ng/mL; \r\nAUC, single IV dose of 27 mg/m^2 = 379 ng•hr/mL;\r\nCarfilzomib does not accumulation in the systemic. At doses between 20 and 36 mg/m2, there was a dose-dependent increase in exposure.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08890","Name":"Linaclotide","DrugType":"small molecule","HalfLife":"Because linaclotide is not systemically absorbed, half life cannot be calculated. ","Description":"Linaclotide is an orally administered, peptide agonist of guanylate cyclase 2C for the treatment of irritable bowel syndrome. Chemically, it is a heterodetic cyclic peptide and consists of fourteen amino acids. The protein sequence is as follows: Cys Cys Glu Tyr Cys Cys Asn Pro Ala Cys Thr Gly Cys Tyr. There are three disulfide bonds which are located between Cys1 and Cys6; between Cys2 and Cys10; and between Cys5 and Cys13. FDA approved on August 30, 2012. ","Classification":{"Description":"This compound belongs to the cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.","DirectParent":"Cyclic Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids and Derivatives","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Treatment of irritable bowel syndrome (IBS) with constipation and chronic idiopathic constipation. ","Toxicity":"Most common adverse reactions (incidence of at least 2%) reported in IBS-C or CIC patients are diarrhea, abdominal pain, flatulence and abdominal distension.","MechanismOfAction":"Linaclotide is an agonist of guanylate cyclase-C (GC-C). Once linaclotide and its active metabolite binds to GC-C, it has local effect on the luminal surface of the intestinal epithelium. Activation of GC-C by linaclotide results in the intra- and extracellular increase of cyclic guanosine monophosphate concentrations (cGMP). This elevation of cGMP levels stimulates the secretion of chloride and bicarbonate into the intestinal lumen via activation of cystic fibrosis transmembrane conductance regulator (CFTR) ion channel. Ultimately, linaclotide helps patients with IBS (especially with constipation) as GI transit is accelerated and the release of intestinal fluid is increased. In animal models, a decrease in visceral pain after administration of linaclotide may be observed. A decrease in the activity of pain-sensing nerves occurs as a result of an increase in extracellular cGMP. ","Pharmacodynamics":"Changes in the appearance and consistency of stools as measured by the Bristol Stool Form Scale (BSFS) have been noted after taking linaclotide. ","Absorption":"When taken orally, linaclotide is not absorbed into the systemic. No detectable levels of linaclotide or its active metabolite were noted after doses of 125 mcg or 290 mcg were administered. ","Interactions":null,"Salts":[{"ID":"DBSALT000108","Name":"Linaclotide Acetate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08891","Name":"Arbaclofen","DrugType":"small molecule","HalfLife":"","Description":"Arbaclofen, or STX209, is the R-enantiomer of baclofen. It is believed to be a selective gamma-amino butyric acid type B receptor agonist, and has been investigated as a treatment for autism spectrum disorder and fragile X syndrome in randomized, double blind, placebo controlled trials. It has also been investigated as a treatment for spasticity due to multiple sclerosis and spinal cord injury. Arbaclofen was investigated as a treatment for gastroesophageal reflux disease (GERD); however, with disappointing results. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated in clinical trials as a potential treatment for spasticity in multiple sclerosis, autism spectrum disorder, and social withdrawal in fragile X syndrome.","Toxicity":"","MechanismOfAction":"Arbaclofen, or R-baclofen, acts upstream of the mGluR5 receptor to increase inhibitory neurotransmission. It is the isomer of baclofen which harbors antispastic activity. ","Pharmacodynamics":"","Absorption":"Unlike baclofen, absorption of arbaclofen is not limited to the upper small intestine. Arbaclofen can also be absorbed in the lower small intestine and the colon, allowing for the development of sustained release formulations. ","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB08892","Name":"Arbaclofen Placarbil","DrugType":"small molecule","HalfLife":"IV bolus administration of AP to rats showed that AP was converted to R-baclofen with a half life of 6 minutes. ","Description":"Arbaclofen Placerbil is a prodrug of Arbaclofen, which is a selective gamma-amino-butyric acid type B receptor agonist and the R-enantiomer of baclofen. It was discovered, and has been patented by XenoPort as a new chemical entity with an improved pharmacokinetic profile compared to baclofen, which allows for sustained release properties. \r\n\r\nArbaclofen Placerbil was believed to have therapeutic potential in treating gastroesophogeal reflux disease (GERD) and plasticity; however due to discouraging clinical trial results, the drug was abandoned by XenoPort in 2011 for the treatment of GERD. On May 20th, 2013, XenoPort announced plans to terminate the development of Arbaclofen Placerbil for the treatment of multiple sclerosis. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for the treatment of spasticity in multiple sclerosis, acute back spasms, and GERD. ","Toxicity":"","MechanismOfAction":"R-baclofen is postulated to aid in spasticity by acting as an agonist of the inhibitory gamma aminobutyric acid neurotransmission pathway. ","Pharmacodynamics":"","Absorption":"Unlike baclofen, absorption of R-baclofen(arbaclofen) is not limited to the upper small intestine. The ability of arbaclofen to be absorbed throughout the gastrointestinal tract allowed for the development of the sustained release formulation, arbaclofen placarbil (AP). \r\n\r\nIn one study of AP absorption in 10 healthy volunteers, one 20mg oral dose of AP, in the presence of food, resulted in a Tmax of 5.05h. \r\n\r\nThe oral bioavailability of R-baclofen in rats when AP was dosed at 10mg/kg was 44 ± 12%, and when dosed at 1mg/kg, oral bioavailability was 68 ± 6%. \r\n\r\nIn monkeys and dogs, the oral bioavailability of R-baclofen when AP was orally dosed was high: 94 ± 16%, and 92 ± 7%, respectively. In comparison, when oral R-balofen was dosed oral bioavailability was 39 ± 21% in monkeys and 49 ± 20% in dogs.\r\n\r\nColonic absorption studies measuring R-baclofen bioavailability post intracolonic dosing in rats and monkeys, have revealed low bioavailability with the administration of R-baclofen (7 ± 3% and 3 ± 2%, respectively), and significantly higher R-baclofen bioavailability with intracolonic dosing of AP suspension ( 37 ± 9% and 37 ± 15%, in rats and monkeys respectively). \r\nIntracolonic dosing of AP suspension also resulted in high biolavailability of R-baclofen in dogs (77 ± 23%). \r\n\r\nAbsorption throughout the intestine is both passive and active and occurs via the monocarboxylate type 1 transporter.","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB08893","Name":"Mirabegron","DrugType":"small molecule","HalfLife":"Terminal elimination half-life = 50 hours ","Description":"Mirabegron is a beta-3 adrenergic receptor agonist for the management of overactive bladder. It is an alternative to antimuscarinic drugs for this indication. FDA approved on June 28, 2012. ","Classification":{"Description":"This compound belongs to the anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.","DirectParent":"Anilides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Anilides"},"Indication":"Mirabegron is a beta-3 adrenergic agonist indicated for the treatment of overactive bladder (OAB) with symptoms of urge urinary incontinence, urgency, and urinary frequency.","Toxicity":"Most commonly reported adverse reactions (\u003e 2% and \u003e placebo) were hypertension, nasopharyngitis, urinary tract infection and headache","MechanismOfAction":"Mirabegron is a potent and selective agonist for beta-3 adrenergic receptors. Once beta-3 receptors are activated, the detrusor smooth muscle relaxes to allow for a larger bladder capacity. At higher doses (200 mg), there is a potential for mirabegron to activate beta-1 and beta-2 adrenergic receptors. ","Pharmacodynamics":"Mirabegron has little effect on the mean maximum flow rate or mean detrusor pressure at maximum flow rate in patients with lower urinary tract symptoms and bladder outlet obstruction. Furthermore, mirabegron increases blood pressure in a dose dependent manner. However, this effect is reversible when mirabegron is discontinued. Mirabegron also increases heart rate in a dose dependent manner. The dose in which half-maximal efficacy is demonstrated is 25 mg. Comparatively, the dose in which maximal efficacy is demonstrated is 100 mg. ","Absorption":"The absolute bioavailability increases from 29% at a dose of 25 mg to 35% at a dose of 50 mg. Mean Cmax and AUC increase more than dose proportionally. This relationship is more apparent at doses above 50 mg. Females generally have a lower magnitude of increase of Cmax and AUCtau compared to males when doses of mirabegron doubles or quadruples. Steady state concentrations are achieved within 7 days of once daily dosing with mirabegron. After once daily administration, plasma exposure of mirabegron at steady state is approximately double that seen after a single dose.\r\nTmax, oral dose, healthy subjects= 3.5 hours;","Interactions":[{"ID":"DB01151"},{"ID":"DB00390"},{"ID":"DB01195"},{"ID":"DB01026"},{"ID":"DB00264"},{"ID":"DB01182"},{"ID":"DB01045"},{"ID":"DB00679"},{"ID":"DB00682"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08894","Name":"Peginesatide","DrugType":"small molecule","HalfLife":"IV dose, healthy subjects = 25.0 ± 7.6 hours;\r\nSubQ, healthy subjects = 53.0 ± 17.7 hours;\r\nIV dose, dialysis patients = 47.9 ± 16.5 hours; ","Description":"Peginesatide is a synthetic peptide attached to polyethylene glycol for the treatment of anemia. The polyethylene glycol moiety helps make the drug less immunogenic and prolongs its plasma half-life. Chemically, peginesatide is designed to mimic the pharmacological activity of erythropoietin, but is not a replica of the structure itself. Peginesatide consists of two 21-amino acid chains that are covalently bonded by a linker derived from iminodiacetic acid and β-alanine. FDA approved March 27, 2012. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Peginesatide is used for the treatment of anemia due to chronic kidney disease (CKD) in adult patients on dialysis ","Toxicity":"The most common adverse events (≥10%) are dyspnea, diarrhea, nausea, cough, and arteriovenous fistula site complication. ","MechanismOfAction":"Peginesatide binds to and activates the human erythropoietin receptor and stimulates erythropoiesis in human red cell precursors in vitro.","Pharmacodynamics":"Peginesatide increases the reticulocyte count and levels of hemoglobin. It also increases RBC count, hematocrit, and soluble transferrin receptor protein in a dose-dependent manner. ","Absorption":"Tmax, SubQ dose = 48 hours; \r\nBioavailability, SubQ dose = 46%;\r\nPeginesatide does not accumulate when administered every 4 weeks following intravenous or subcutaneous administration. ","Interactions":null,"Salts":[{"ID":"DBSALT000136","Name":"Peginesatide acetate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08895","Name":"Tofacitinib","DrugType":"small molecule","HalfLife":"~3 hours","Description":"Tofacitinib is an inhibitor of Janus kinases, a group of intracellular enzymes involved in signaling pathways that affect hematopoiesis and immune cell function. It is approved by the FDA for treatment of moderate to severe rheumatoid arthritis that responds inadequately to methotrexate or in those who are intolerant to methotrexate. \r\nBesides rheumatoid arthritis, tofacitinib has also been studied in clinical trials for the prevention of organ transplant rejection, and the treatment of psoriasis and ulcerative colitis. Known adverse effects include nausea and headache as well as more serious immunologic and hematological adverse effects. Tofacitinib is marketed under the brand name Xeljanz. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"FDA approved for the treatment of moderate to severe rheumatoid arthritis which is resistant or intolerant to methotrexate therapy. It may also be used as an adjunct to methotrexate therapy, or other non-biologic disease-modifying antirheumatic drugs (DMARDS), when methotrexate alone is not sufficient. \r\n\r\nTofacitinib has also been investigated as a preventative therapy for kidney transplant rejections, and as a treatment for psoriasis, ulcerative colitis, and ankylosing spondylitis. \r\n\r\nIt is not to be initiated in patients with a history of chronic or recurrent infections, or in the presence of active infection, even if localized, due to reports of serious and sometimes fatal infections (commonly pneumonia, herpes zoster and urinary tract infections). Use of tofacitinib is also discouraged in those who have been, or are likely to be, exposed to TB. An increased likelihood of exposure may be encountered by traveling to certain areas.\r\n\r\nIn addition, tofacitinib is not to be used in patients with severe hepatic impairment, or low hemoglobin (less than 9g/dL). Cautioned is advised when using tofacitinib in patients at risk of gastrointestinal perforation, and in the elderly who are more susceptible to infection. ","Toxicity":"Minimum lethal dose in rat: 500 mg/kg. \r\nMaximum asymptomatic dose in non human primate: 40 mg/kg. \r\n\r\nLymphatic, immune system, bone marrow and erythroid cell toxicity was seen in animal studies involving rate and monkeys. Doses used in these studies ranged from 1mg/kg/day to 10mg/kg/day, over a duration of 6 weeks to 6 months. Lymphopenia, neutropenia, and anemia is seen in human subjects and may call for an interruption or discontinuation of therapy if severe. \r\n\r\nReduced female fertility in rats was seen at exposures 17 times the maximum recommended human dose. Fertility may be impaired in human females and harm may be caused to unborn child. \r\nCarcinogenic potential is seen, however evidence for dose dependency is lacking.\r\n\r\nBecause the janus kinase pathway plays a role in stimulating the production of red blood cells and is involved in immune cell function, inhibition of this pathway leads to increased risk of anemia, neutropenia, lymphopenia, cancer and infection. \r\n\r\nLymphopenia, neutropenia, and anemia in human subjects may call for an interruption or discontinuation of therapy if severe. \r\n\r\nRole of JAK inhibition in the development of gastrointestinal perforation is not known. ","MechanismOfAction":"Rheumatoid arthritis is an autoimmune disease characterized by a dysregulation of pro-inflammatory cytokines including IL7, IL15, IL21, IL6, IFN-alpha, and IFN-beta. (3) Cytokines signalling results in tissue inflammation and joint damage by stimulating the recruitment and activation of immune cells via the janus kinase signalling pathway.\r\n\r\nTofacitinib is a partial and reversible janus kinase (JAK) inihibitor that will prevent the body from responding to cytokine signals. By inhibiting JAKs, tofacitinib prevents the phosphorylation and activation of STATs. The JAK-STAT signalling pathway is involved in the transcription of cells involved in hematopoiesis, and immune cell function. Tofacitinib works therapeutically by inhibiting the JAK-STAT pathway to decrease the inflammatory response. However, there is evidence to suggest that it may also achieve efficacy via other pathways as well. \r\n\r\n\r\n","Pharmacodynamics":"Tofacitinib targets inflammation present in rheumatoid arthritis by inhibiting the janus kinases involved in the inflammatory response pathway. \r\n\r\nIn placebo controlled trials of rheumatoid arthritis patients receiving 5mg or 10mg of tofacitinib twice daily, higher ACR20 responses were observed within 2 weeks in some patients (with ACR20 being defined as a minimum 20% reduction in joint pain or tenderness and 20% reduction in arthritis pain, patient disability, inflammatory markers, or global assessments of arthritis by patients or by doctors, according to the American College of Rheumatology (ACR) response criteria list), and improvements in physical functioning greater than placebo were also noted. \r\n\r\nCommon known adverse effects of tofacitinib include headaches, diarrhea, nausea, nasopharyngitis and upper respiratory tract infection. More serious immunologic and hematological adverse effects have also been noted resulting in lymphopenia, neutropenia, anemia, and increased risk of cancer and infection. \r\n\r\nBefore initiations of tofacitinib patients should be tested for latent infections of tuberculosis, and should be closely monitored for signs and symptoms of infection (fungal, viral, bacterial, or mycobacterial) during therapy. Therapy is not to be started in the presence of active infection, systemic or localized, and is to be interrupted if a serious infection occurs. \r\n\r\nTofacitinib has been associated with an increased risk of lymphomas, such as Epstein-Barr virus associated lymphomas, and other malignancies (including lung, breast, gastric, and colorectal cancers). It is recommended to monitor lymphocytes, neutrophils, hemoglobin, liver enzymes, and lipids. \r\n\r\nTofacitinib use is associated with a rapid decrease in C-reactive protein (CRP), dose dependent decreases in natural killer cells, and dose dependent increases in B cells. Depression in C-reactive protein levels continue after 2 weeks of tofacitinib discontinuation and suggest that pharmacodynamic activity last longer than pharmacokinetic half life. ","Absorption":"74% oral absorption (absolute bioavailability), with peak plasma concentrations (T \u003csub\u003e max\u003c/sub\u003e) achieved in 0.5-1 hour. \r\n\r\nAdministration with fatty meals does not alter AUC but reduces Cmax by 32%. ","Interactions":[{"ID":"DB01281"},{"ID":"DB00051"},{"ID":"DB05773"},{"ID":"DB00026"},{"ID":"DB00098"},{"ID":"DB06681"},{"ID":"DB08879"},{"ID":"DB06168"},{"ID":"DB08904"},{"ID":"DB00363"},{"ID":"DB00091"},{"ID":"DB01609"},{"ID":"DB06643"},{"ID":"DB00005"},{"ID":"DB00196"},{"ID":"DB00056"},{"ID":"DB05259"},{"ID":"DB06674"},{"ID":"DB04865"},{"ID":"DB00078"},{"ID":"DB00065"},{"ID":"DB08820"},{"ID":"DB01097"},{"ID":"DB00834"},{"ID":"DB00108"},{"ID":"DB08935"},{"ID":"DB00043"},{"ID":"DB00059"},{"ID":"DB00252"},{"ID":"DB00337"},{"ID":"DB01045"},{"ID":"DB00073"},{"ID":"DB01656"},{"ID":"DB06268"},{"ID":"DB00864"},{"ID":"DB06273"},{"ID":"DB00072"}],"Salts":[{"ID":"DBSALT000180","Name":"Tofacitinib Citrate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08896","Name":"Regorafenib","DrugType":"small molecule","HalfLife":"Regorafenib, 160 mg oral dose = 28 hours (14 - 58 hours); \r\nM2 metabolite, 160 mg oral dose = 25 hours (14-32 hours); \r\nM5 metabolite, 160 mg oral dose = 51 hours (32-72 hours); ","Description":"Regorafenib is an orally-administered inhibitor of multiple kinases. It is used for the treatment of metastatic colorectal cancer and advanced gastrointestinal stromal tumours. FDA approved on September 27, 2012. ","Classification":{"Description":"This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.","DirectParent":"Diarylethers","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Ethers","SubClass":"Diarylethers"},"Indication":"Regorafenib is indicated for the treatment of patients with metastatic colorectal cancer (CRC) who have been previously treated with fluoropyrimidine-, oxaliplatin- and irinotecan-based chemotherapy, an anti-VEGF therapy, and, if KRAS wild type, an anti-EGFR therapy. Regorafenib is also indicated for the treatment of patients with locally advanced, unresectable or metastatic gastrointestinal stromal tumor (GIST) who have been previously treated with imatinib mesylate and sunitinib malate.","Toxicity":"The most common adverse reactions (≥20%) are asthenia/fatigue, HFSR, diarrhea, decreased appetite/food intake, hypertension, mucositis, dysphonia, and infection, pain (not otherwise specified), decreased weight, gastrointestinal and abdominal pain, rash, fever, and nausea","MechanismOfAction":"Regorafenib is a small molecule inhibitor of multiple membrane-bound and intracellular kinases involved in normal cellular functions and in pathologic processes such as oncogenesis, tumor angiogenesis, and maintenance of the tumor microenvironment. In in vitro biochemical or cellular assays, regorafenib or its major human active metabolites M-2 and M-5 inhibited the activity of RET, VEGFR1, VEGFR2, VEGFR3, KIT, PDGFR-alpha, PDGFR-beta, FGFR1, FGFR2, TIE2, DDR2, TrkA, Eph2A, RAF-1, BRAF, BRAFV600E , SAPK2, PTK5, and Abl at concentrations of regorafenib that have been achieved clinically. In in vivo models, regorafenib demonstrated anti-angiogenic activity in a rat tumor model, and inhibition of tumor growth as well as anti-metastatic activity in several mouse xenograft models including some for human colorectal carcinoma.","Pharmacodynamics":"","Absorption":"Cmax = 2.5 μg/mL;\r\nTmax = 4 hours; \r\nAUC = 70.4 μg*h/mL; \r\nCmax, steady-state = 3.9 μg/mL;\r\nAUC, steady-state = 58.3 μg*h/mL;\r\nThe mean relative bioavailability of tablets compared to an oral solution is 69% to 83%.","Interactions":[{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB00762"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01263"},{"ID":"DB01045"},{"ID":"DB01323"},{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08897","Name":"Aclidinium","DrugType":"small molecule","HalfLife":"Plasma half-life = 2.4 minutes (indicating that aclidinium is very rapidly hydrolyzed in plasma into its two inactive metabolites and has a low chance of causing systemic side effects). \r\nEffective half-life = 5-8 hours. ","Description":"Aclidinium is an anticholinergic for the long-term management of chronic obstructive pulmonary disease (COPD). It has a much higher propensity to bind to muscarinic receptors than nicotinic receptors. FDA approved on July 24, 2012. ","Classification":{"Description":"This compound belongs to the tropanes. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.","DirectParent":"Tropanes","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Tropanes","SubClass":""},"Indication":"Aclidinium bromide inhalation powder is indicated for the long-term, maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and emphysema.","Toxicity":"Most common adverse reactions (≥3% incidence and greater than placebo) are headache, nasopharyngitis and cough.","MechanismOfAction":"Aclidinium is a long-acting, competitive, and reversible anticholinergic drug that is specific for the acetylcholine muscarinic receptors. It binds to all 5 muscarinic receptor subtypes to a similar affinity. Aclidinium's effects on the airways are mediated through the M3 receptor at the smooth muscle to cause bronchodilation. Prevention of acetylcholine-induced bronchoconstriction effects was dose-dependent and lasted longer than 24 hours.","Pharmacodynamics":"Aclidinium does not prolong the QTc interval or have significant effects on cardiac rhythm. ","Absorption":"Bioavailability, healthy subjects = 6%;\r\nT max, healthy subjects = 10 minutes;\r\nTime to steady state, healthy subjects = 2 days; ","Interactions":[{"ID":"DB01278"}],"Salts":[{"ID":"DBSALT000003","Name":"Aclidinium Bromide"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08898","Name":"Glucarpidase","DrugType":"biotech","HalfLife":"In healthy patients not taking methotrexate, glucarpidase has an elimination half-life of 5.6 hours. In patients with severe renal impairment (creatinine clearance \u003c30 mL/min), glucarpidase has an longer elimination half-life at 8.2 hours.","Description":"Glucarpidase is the recombinant form of the Pseudomonas sp. (strain RS-16) enzyme carboxypeptidase G2 that is produced in Escherichia coli. In patients, glucarpidase inactivates methotrexate, and other antifolates, by hydrolyzing glutamate on the carboxyl terminal of these compounds. Therefore since methotrexate is eliminated enzymatically and not by the kidneys, glucarpidase is indicated in patients on methotrexate treatment who have kidney dysfunction, and are experiencing an abnormally high plasma concentration of methotrexate (\u003e1 micromole per liter). Glucarpidase is marketed under the brand name Voraxaze®.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used in patients on methotrexate treatment who have kidney dysfunction, and are experiencing an abnormally high plasma concentration of methotrexate (\u003e 1 micromole per liter).","Toxicity":"Most common adverse reactions include hypotension, flushing, nausea, vomiting, headache, and paresthesia.","MechanismOfAction":"Glucarpidase inactivates methotrexate, and other antifolates, by hydrolyzing glutamate on the carboxyl terminal of these compounds. For methotrexate specifically, it is hydrolyzed to the inactive metabolites glutamate and 4-deoxy-4-amino-N10-methylpteroic acid (DAMPA).","Pharmacodynamics":"Glucarpidase acts as an antidote to toxic methotrexate levels by elminating methotrexate by a non-kidney route.","Absorption":"In healthy patients not taking methotrexate, the average maximum concentration for glucarpidase was 3.3 μg/mL.","Interactions":[{"ID":"DB00650"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08899","Name":"Enzalutamide","DrugType":"small molecule","HalfLife":"The mean terminal half-life (t1/2) for enzalutamide in patients after a single oral dose is 5.8 days (range 2.8 to 10.2 days). Following a single 160 mg oral dose of enzalutamide in healthy volunteers, the mean terminal t1/2 for N-desmethyl enzalutamide is approximately 7.8 to 8.6 days.","Description":"Enzalutamide is an androgen receptor inhibitor for the treatment of castration-resistant prostate cancer. FDA approved on August 31, 2012. ","Classification":{"Description":"This compound belongs to the phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.","DirectParent":"Phenylimidazolidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azolidines","SubClass":"Imidazolidines"},"Indication":"Enzalutamide is indicated for the treatment of patients with metastatic castration-resistant prostate cancer who have previously received docetaxel.","Toxicity":"The most common adverse reactions (≥ 5%) are asthenia/fatigue, back pain, diarrhea, arthralgia, hot flush, peripheral edema, musculoskeletal pain, headache, upper respiratory infection, muscular weakness, dizziness, insomnia, lower respiratory infection, spinal cord compression and cauda equina syndrome, hematuria, paresthesia, anxiety, and hypertension.","MechanismOfAction":"Enzalutamide is a competitive androgen receptor inhibitor that effects multiple stages of the signalling pathway. It is able to inhibit androgen binding to its receptor, androgen receptor nuclear translocation, and subsequent interaction with DNA. As a result, proliferation of prostate cancer cells decreases which ultimately leads to apoptosis and decreased tumour volume. ","Pharmacodynamics":"Resitance to enzalutamide therapy has been observed. This may occurred due to an upregulation of NF-κB2/p52. ","Absorption":"The pharmacokinetic profile of enzalutamide and N-desmethyl enzalutamide (its major active metabolite) is described by a linear two-compartment model with first-order absorption. Enzalutamide also accumulates. Food does not affect its absorption. \r\nTmax, prostate cancer patients = 1 hour (range of 0.5-3 hours);\r\nCmax, steady state, enzalutamide = 16.6 μg/mL;\r\nCmax, steady state, N-desmethyl enzalutamide = 12.7 μg/mL;\r\nTime to steady state, daily dosing = 28 days; ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08900","Name":"Teduglutide","DrugType":"biotech","HalfLife":"Terminal half-life, healthy subjects = 2 hours;\r\nTerminal half-life, SBS patients = 1.3 hours ","Description":"Teduglutide is a glucagon-like peptide-2 (GLP-2) analogue. It is made up of 33 amino acids and is manufactured using a strain of Escherichia coli modified by recombinant DNA technology. Teduglutide differs from GLP-2 by one amino acid (alanine is substituted by glycine). The significance of this substitution is that teduglutide is longer acting than endogenous GLP-2 as it is more resistant to proteolysis from dipeptidyl peptidase-4. FDA approved on December 21, 2012. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Treatment of short bowel syndrome (SBS), malabsorption associated with the removal of the intestine, in adults patients who are dependent on parenteral support. ","Toxicity":"The most common adverse reactions (≥ 10%) across all studies with GATTEX are abdominal pain, injection site reactions, nausea, headaches, abdominal distension, upper respiratory tract infection. In addition, vomiting and fluid overload were reported in the SBS studies (1 and 3) at rates ≥ 10%. ","MechanismOfAction":"Teduglutide is an analog of naturally occurring human glucagon-like peptide-2 (GLP-2), a peptide secreted by L-cells of the distal intestine in response to meals. GLP-2 increases intestinal and portal blood flow and inhibit gastric acid secretion. Teduglutide binds to the glucagon-like peptide-2 receptors located in enteroendocrine cells, subepithelial myofibroblasts and enteric neurons of the submucosal and myenteric plexus. This causes the release of insulin-like growth factor (IGF)-1, nitric oxide and keratinocyte growth factor (KGF). These growth factors may contribute to the increase in crypt cell growth and surface area of the gastric mucosa. Ultimately, absorption through the intestine is enhanced. ","Pharmacodynamics":"An enhancement of gastrointestinal fluid absorption (750-1000 mL/day) was observed following daily administrations of teduglutide. An increase in villus height and crypt depth of the intestinal mucosa was also noted. A decrease in fecal weight has also been observed. Teduglutide does not prolong the QTc interval. ","Absorption":"The pharmacokinetic profile of teduglutide (when administered subcutaneously) is described by a one-compartment model with first order absorption in the abdomen, arm, and thigh. With escalating doses, teduglutide demonstrates linear pharmacokinetics. \r\nAbsolute bioavailability, SubQ = 88%;\r\nTmax, SubQ = 3-5 hours; \r\nCmax, 0.05 mg/kg SubQ, SBS patients = 36 ng/mL; \r\nAUC, 0.05 mg/kg SubQ, SBS patients = 0.15 µg•hr/mL;\r\nTeduglutide does not accumulate following multiple subcutaneous administrations. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08901","Name":"Ponatinib","DrugType":"small molecule","HalfLife":"After oral administration of 45 mg ponatinib once daily for 28 days in cancer patients, the terminal elimination half-life is 24 hours (range of 12 - 66 hours). ","Description":"Ponatinib is a novel Bcr-Abl tyrosine kinase inhibitor that is especially effective against the T315I mutation for the treatment of chronic myeloid leukemia. FDA approved on December 14, 2012. ","Classification":{"Description":"This compound belongs to the n-phenylbenzamides.","DirectParent":"N-phenylbenzamides","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Benzamides"},"Indication":"Ponatinib is indicated for the treatment of adult patients with chronic phase, accelerated phase, or blast phase chronic myeloid leukemia (CML) that is resistant or intolerant to prior tyrosine kinase inhibitor therapy or Philadelphia chromosome positive acute lymphoblastic leukemia (Ph+ALL) that is resistant or intolerant to prior tyrosine kinase inhibitor therapy.","Toxicity":"The most common non-hematologic adverse reactions (≥ 20%) were hypertension, rash, abdominal pain, fatigue, headache, dry skin, constipation, arthralgia, nausea, and pyrexia. Hematologic adverse reactions included thrombocytopenia, anemia, neutropenia, lymphopenia, and leukopenia. ","MechanismOfAction":"Ponatinib is a multi-target kinase inhibitor. Its primary cellular target is the Bcr-Abl tyrosine kinase protein which is constitutively active and promotes the progression of CML. This protein arises from the fused Bcr and Abl gene- what is commonly known as the Philadelphia chromosome. Ponatinib is unique in that it is especially useful in the treatment of resistant CML because it inhibits the tyrosine kinase activity of Abl and T315I mutant kinases. The T315I mutation confers resistance in cells as it prevents other Bcr-Abl inhibitors from binding to the Abl kinase. Other targets that ponatinib inhibits are members of the VEGFR, PDGFR, FGFR, EPH receptors and SRC families of kinases, and KIT, RET, TIE2, and FLT3. A decrease in tumour size expressing native or T315I mutant BCR-ABL have been observed in rats. ","Pharmacodynamics":"","Absorption":"The absolute bioavailability of ponatinib is unknown. Peak concentrations of ponatinib are observed within 6 hours after Iclusig oral administration. Food does not affect absorption of food. The aqueous solubility of ponatinib is pH dependent, with higher pH resulting in lower solubility.\r\nWhen 45 mg of ponatinib is given to cancer patients, the pharmacokinetic parameters are as follows: \r\nCmax = 73 ng/mL;\r\nAUC = 1253 ng•hr/mL; ","Interactions":[{"ID":"DB08873"},{"ID":"DB00564"},{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB00872"},{"ID":"DB00224"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB01601"},{"ID":"DB01149"},{"ID":"DB00220"},{"ID":"DB00252"},{"ID":"DB00252"},{"ID":"DB01263"},{"ID":"DB01045"},{"ID":"DB01045"},{"ID":"DB00503"},{"ID":"DB00503"},{"ID":"DB01232"},{"ID":"DB05521"},{"ID":"DB00976"},{"ID":"DB00582"}],"Salts":[{"ID":"DBSALT000142","Name":"Ponatinib Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08902","Name":"Raxibacumab","DrugType":"biotech","HalfLife":"Mean terminal elimination half-lives of raxibacumab are as follows:\r\nIM dose = 15-19 days;\r\nIV dose = 16-19 days ","Description":"Raxibacumab is a human IgG1λ monoclonal antibody that binds the protective antigen (PA) component of B. anthracis toxin. Raxibacumab has a molecular weight of approximately 146 kilodaltons. Raxibacumab is produced by recombinant DNA technology in a murine cell expression system. FDA approved on December 14, 2012.","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Raxibacumab is indicated for the treatment of adult and pediatric patients with inhalational anthrax due to Bacillus anthracis in combination with appropriate antibacterial drugs, and for prophylaxis of inhalational anthrax when alternative therapies are not available or are not appropriate. ","Toxicity":"The most frequently reported adverse reactions were rash, pain in extremity, pruritus, and somnolence. ","MechanismOfAction":"Raxibacumab is a monoclonal antibody that binds free PA with an affinity equilibrium dissociation constant (Kd) of 2.78 ± 0.9 nM. Raxibacumab inhibits the binding of PA to its cellular receptors, preventing the intracellular entry of the anthrax lethal factor and edema factor, the enzymatic toxin components responsible for the pathogenic effects of anthrax toxin. It does not have direct antibacterial activity. ","Pharmacodynamics":"","Absorption":"Raxibacumab does not cross the blood-brain-barrier. When a single IV dose of 40 mg/kg was administered to healthy, male and female human subjects, the pharmacokinetic parameters are as follows:\r\nCmax = 1020.3 ± 140.6 mcg/mL;\r\nAUCinf = 15845.8 ± 4333.5 mcg·day/mL.\r\nBioavailability is also dependent on site of injection. When administered to the vastus lateralis, the bioavailability is 71-85%. When administered to the gluteus maximus, the bioavailability is 50-54%. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08903","Name":"Bedaquiline","DrugType":"small molecule","HalfLife":"Terminal elimination half-life, bedaquiline and M2 = 5.5 months. This long half-life suggests slow release of bedaquiline and M2 from peripheral tissues. ","Description":"Bedaquiline is a bactericidal antimycobacterial drug. Chemically it is a diarylquinoline. FDA approved on December 28, 2012. ","Classification":{"Description":"This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.","DirectParent":"Stilbenes","Kingdom":"Organic Compounds","SuperClass":"Phenylpropanoids and Polyketides","Class":"Stilbenes","SubClass":""},"Indication":"Bedaquiline is indicated as part of combination therapy in adults (≥ 18 years) with pulmonary multi-drug resistant tuberculosis (MDR-TB). ","Toxicity":"The most common adverse reactions reported in ≥10% of patients treated with bedaquiline are nausea, arthralgia, and headache.","MechanismOfAction":"Bedaquiline is a diarylquinoline antimycobacterial drug that inhibits the proton pump of mycobacterial ATP (adenosine 5'-triphosphate) synthase, an enzyme that is essential for the generation of energy in Mycobacterium tuberculosis. Bacterial death occurs as a result of bedaquiline. ","Pharmacodynamics":"Bedaquiline is primarily subjected to oxidative metabolism leading to the formation of N-monodesmethyl metabolite (M2). M2 is not thought to contribute significantly to clinical efficacy given its lower average exposure (23% to 31%) in humans and lower antimycobacterial activity (4 to 6-fold lower) compared to the parent compound. M2 concentrations appeared to correlate with QT prolongation. Bedaquiline inhibits mycobacterial TB at a minimal inhibitory concentration (MIC) from 0.002-0.06 μg/ml and with a MIC50 of 0.03 μg/ml. Furthermore, bacteria that have smaller ATP stores (usually in dormant, nonreplicating bacilli) are more susceptible to bedaquiline. ","Absorption":"Tmax, oral dose = 5 hours;\r\nFood increases the oral bioavailability. AUC increases proportionally up to the highest dose studied in healthy volunteers. When 400 mg of bedaquiline is administered once daily for a week, the peak plasma concentration (Cmax) is 5.5 μg/ml and an AUC of 64.75 μgh/ml. ","Interactions":[{"ID":"DB01026"},{"ID":"DB01045"}],"Salts":[{"ID":"DBSALT000016","Name":"Bedaquiline Fumarate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08904","Name":"Certolizumab pegol","DrugType":"biotech","HalfLife":"Terminal plasma elimation half-life = 14 days (for all doses); ","Description":"Certolizumab pegol is a recombinant Fab' antibody fragment against tumor necrosis factor alpha which is conjugated to an approximately 40kDa polyethylene glycol (PEG2MAL40K). Polyethylene glycol helps to delay the metabolism and elimination of the drugs. Chemically, the light chain is made up of 214 amino acid residues while the heavy chain is composed of 229 amino acid residues. The molecular mass of the Fab' antibody fragment itself is 47.8 kDa. It is used for the treatment of rheumatoid arthritis and Crohn’s disease. FDA approved on April 22, 2008","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Reducing signs and symptoms of Crohn's disease and treatment of moderately to severely active rheumatoid arthritis (RA). ","Toxicity":"The most common adverse reactions (incidence ≥7% and higher than placebo): upper respiratory tract infection, rash, and urinary tract infection. ","MechanismOfAction":"Certolizumab pegol binds to free and membrane-bound human TNFα with a KD of 90pM and neutralizes its activity. Extent of neutralization is also dose-dependent. It also inhibited the release of lipopolysaccharide-induced IL-1β from monocytes. TNFα is a key pro-inflammatory cytokine with a central role in inflammatory processes in which elevated levels have been observed in patients with RA and Crohn's. Certolizumab pegol selectively neutralizes TNFα (IC90 of 4 ng/mL for inhibition of human TNFα in the in vitro L929 murine fibrosarcoma cytotoxicity assay). It does not bind to TNF-β. As certolizumab is only a Fab' fragment and thus missing the Fc region, it does not fix complement or cause antibody-dependent cell-mediated cytotoxicity. Furthermore, apoptosis of monocytes or lymphocytes, or neutrophil degranulation have not been observed in vitro. ","Pharmacodynamics":"TNFα is a key pro-inflammatory cytokine with a central role in inflammatory processes. Biological activity associated to TNFα include the upregulation of cellular adhesion molecules and chemokines, upregulation of major histocompatibility complex (MHC) class I and class II molecules, and direct leukocyte activation. TNFα stimulates the production of downstream inflammatory mediators, including interleukin-1, prostaglandins, platelet activating factor, and nitric oxide. After treatment with certolizumab pegol, patients with Crohn's disease demonstrated a decrease in the levels of C-reactive protein (CRP). ","Absorption":"There is a linear relationship between dose administered and Cmax and AUC. A mean Cmax of approximately 43 to 49 mcg/mL occurred at Week 5 during the initial loading dose period using the recommended dose regimen for the treatment of patients with rheumatoid arthritis (400 mg sc at Weeks 0, 2 and 4 followed by 200 mg every other week).\r\nTmax, SubQ dose = 54 - 171 hours;\r\nBioavailability, SubQ dose = 80% (range of 76% - 88%) ","Interactions":[{"ID":"DB01281"},{"ID":"DB00026"},{"ID":"DB00005"},{"ID":"DB06674"},{"ID":"DB00065"},{"ID":"DB00108"},{"ID":"DB00073"},{"ID":"DB08895"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08905","Name":"Formestane","DrugType":"small molecule","HalfLife":"Terminal plasma elimination half life of 18 minutes, when delivered intravenously. [2] ","Description":"Formestane was the first selective, type I, steroidal aromatase inhibitor used in the treatment of estrogen-receptor positive breast cancer in post-menopausal women. Formestane suppresses estrogen production from anabolic steroids or prohormones. It also acts as a prohormone to 4-hydroxytestosterone, an active steroid which displays weak androgenic activity in addition to acting as a mild aromatase inhibitor. It is listed as a prohibited substance by the World Anti-Doping Agency for use in athletes. \r\n\r\nFormestane has poor oral bioavailability, and thus must be administered forthnightly (bi-weekly) by intramuscular injection. Some clinical data has suggested that the clinically recommended dose of 250mg was too low. With the discovery of newer, non-steroidal and steroidal, aromatase inhibitors which were orally active and less expensive than formestane, formestane lost popularity. \r\n\r\nCurrently, formestane (categorized as an anti-estrogenic agent) is prohibited from use in sports in accordance to the regulations of the World Anti-Doping Agency. It is not US FDA approved, and the intramuscular injection form of formestane (Lentaron) which was approved in Europe has been withdrawn. ","Classification":{"Description":"This compound belongs to the androgens and derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.","DirectParent":"Androgens and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Androgens and Derivatives"},"Indication":"For the treatment of estrogen-receptor positive breast cancer in post-menopausal women.","Toxicity":"","MechanismOfAction":"Formestane is a second generation, irreversible, steroidal aromatase inhibitor. It inhibits the aromatase enzyme responsible for converting androgens to estrogens, thereby preventing estrogen production. \r\n\r\nBreast cancer may be estrogen sensitive or insensitive. \r\nA majority of breast cancers are estrogen sensitive. Estrogen sensitive breast cancer cells depend on estrogen for viability. Thus removal of estrogen from the body can be an effective treatment for hormone sensitive breast cancers.\r\n\r\nFormestane has been targeted specifically for the treatment of postmenopausal women. Unlike premenopausal women who produce most estrogen in the ovaries, postmenopausal women produce most estrogen in peripheral tissues with the help of the aromatase enzyme. Formestane, an aromatase inhibitor, can thus help to decrease the local production of estrogen by blocking the aromatase enzyme in peripheral tissues (ie. adispose tissue of the breast) to treat hormone sensitive breast cancer. ","Pharmacodynamics":"By significantly reducing estrogen levels in the bloodstream, formestane may exhibit antitumor activity. \r\n\r\nIn one trial involving 147 postmenopausal females with advanced breast cancers resistant to standard therapies, 22% of patients achieved a partial response, while another 20% achieved disease stabilization. [3]\r\n\r\nIn comparative trials comparing a non-steroidal aromatase inhibitor, anastrozole, with formestane, it was found that anastrozole was more effective and consistent at suppressing estrogen levels in the body. However, these results were of unverified clinical significance. [5] ","Absorption":"Formestane has poor oral bioavailability, but is fully bioavailable when administered via the established intramuscular route. The AUC after an intravenous pulse dose does not vary considerably from that of an intramuscular dose. \r\n\r\nWithin 24-48 h of the first dose of intramuscular formestane, a C(max) of 48.0 +/- 20.9 nmol/l was achieved in one study. [2] ","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB08906","Name":"Fluticasone furoate","DrugType":"small molecule","HalfLife":"Elimination phase half-life, IV dose = 15.1 hours;\r\nElimination phase half-life, inhaled = 17 - 24 hours; ","Description":"Fluticasone furoate is a synthetic trifluorinated corticosteroid with potent anti-inflammatory activity. Despite the similarity in the names, fluticasone furoate and fluticasone propionate are different drugs with different properties. It is marketed under the brand name, Veramyst in the US by GlaxoSmithKline for the management of chronic obstructive pulmonary disease (COPD). FDA approved on April 27, 2007. ","Classification":{"Description":"This compound belongs to the steroid esters. These are compounds containing a steroid moeity which bears a carboxylic acid ester group.","DirectParent":"Steroid Esters","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Steroids and Steroid Derivatives","SubClass":"Steroid Esters"},"Indication":"Fluticasone furoate nasal spray is indicated for the treatment of the symptoms of seasonal and perennial allergic rhinitis in patients aged 2 years and older. Breo Ellipta, a mixture of fluticasone furoate and vilanterol is indicated for the management of COPD. ","Toxicity":"The most common adverse reactions (\u003e1% incidence) included headache, epistaxis, pharyngolaryngeal pain, nasal ulceration, back pain, pyrexia, and cough. ","MechanismOfAction":"Fluticasone furoate is a synthetic trifluorinated corticosteroid with potent anti-inflammatory activity. The precise mechanism through which fluticasone furoate affects rhinitis symptoms is not known. Corticosteroids have been shown to have a wide range of actions on multiple cell types (e.g., mast cells, eosinophils, neutrophils, macrophages, lymphocytes) and mediators (e.g., histamine, eicosanoids, leukotrienes, cytokines) involved in inflammation. Specific effects of fluticasone furoate demonstrated in in vitro and in vivo models included activation of the glucocorticoid response element, inhibition of pro-inflammatory transcription factors such as NFkB, and inhibition of antigen-induced lung eosinophilia in sensitized rats. Fluticasone is also found to increase airway retention of long-acting beta adrenergic agonist, thus potentiating its beneficial effects for the treatment of asthma. ","Pharmacodynamics":"Fluticasone furoate binds to human glucocorticoid receptor more potently than dexamethasone (29.9-times) and fluticasone propionate (1.7-times). It also is highly retained in respiratory tissue. The significance of this finding is that fluticasone furoate may have a more pronounced and prolonged anti-inflammatory effect, which allows for once-daily dosing. It does not have any effect on the QTc interval. Furthermore, fluticasone furoate was not found to affect the hypothalamic-pituitary-adrenal axis function in adolescent and adult asthma. ","Absorption":"Following intranasal administration of fluticasone furoate, most of the dose is eventually swallowed and undergoes incomplete absorption and extensive first-pass metabolism in the liver and gut, resulting in negligible systemic exposure. Even at the highest recommended intranasal dose of 110 mcg once daily, plasma concentrations were not quantifiable. This is an especially useful feature as it lowers the incidence of adverse events associated with corticosteroid use. If administered using oral solution and intravenous dosing, 30% of the drug is absorbed and rapidly cleared from the plasma. \r\nAbsolute bioavailability, intranasal route = 0.5%; \r\nAbsolute bioavailability, oral route = 1.26%; \r\nMean lung absorption time = 7 hours (regardless of formulation);\r\n","Interactions":[{"ID":"DB01026"},{"ID":"DB00503"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08907","Name":"Canagliflozin","DrugType":"small molecule","HalfLife":"The apparent terminal half-life (t1/2) was 10.6 hours and 13.1 hours for the 100 mg and 300 mg doses, respectively.","Description":"Canagliflozin belongs to a new class of anti-diabetic drugs that works by inhibiting the sodium-glucose transport protein (SGLT2). This transport protein is found in the kidney and is responsible for reabsorbing glucose that has been filtered. FDA approved on March 29, 2013. ","Classification":{"Description":"This compound belongs to the c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.","DirectParent":"C-glycosyl Compounds","Kingdom":"Organic Compounds","SuperClass":"Organooxygen Compounds","Class":"Carbohydrates and Carbohydrate Conjugates","SubClass":"Glycosyl Compounds"},"Indication":"Canagliflozin is indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. Use in type 1 diabetes mellitus patients or in treatment of diabetic ketoacidosis is not recommended. ","Toxicity":"Most common adverse reactions associated with canagliflozin (5% or greater incidence): female genital mycotic infections, urinary tract infection, and increased urination. ","MechanismOfAction":"Sodium-glucose co-transporter 2 (SGLT2), expressed in the proximal renal tubules, is responsible for the majority of the reabsorption of filtered glucose from the tubular lumen. Canagliflozin is an inhibitor of SGLT2. By inhibiting SGLT2, canagliflozin reduces reabsorption of filtered glucose and lowers the renal threshold for glucose (RTG), and thereby increases urinary glucose excretion.","Pharmacodynamics":"Canagliflozin binds to SGLT2 more potently (250-times) than SGLT1 in vitro. The 50% inhibitory concentrations (IC50) are 2.2-4.4 nmol/L and 684 - 910 nmol/L for SGLT2 and SGLT1 respectively. \r\nDose dependent decreases in renal threshold for glucose and increases in urinary glucose excretion were observed when single and multiple oral doses were administered to type 2 diabetes patients. Decreases in plasma glucose in a dose-dependent fashion were also noted as early as the first day of administration. When given to healthy and type 2 diabetic patients before a meal, a delay in intestinal glucose absorption and a reduction in postprandial glucose was observed. Canagliflozin does not prolong the QTc interval. ","Absorption":"The pharmacokinetics of canagliflozin is similar in healthy subjects and patients with type 2 diabetes. Plasma Cmax and AUC of canagliflozin increased in a dose-proportional manner from 50 mg to 300 mg. Accumulation in plasma has been observed following multiple doses of 100 - 300 mg. Food does not affect the absorption of canagliflozin. \r\nTmax = 1- 2 hours; \r\nCmax = 1059 - 3148 ng/mL; \r\nTime to steady state, once daily dose, 100 - 300 mg = 4-5 days;\r\nAbsolute oral bioavailability = 65%. ","Interactions":[{"ID":"DB09026"},{"ID":"DB00390"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB01045"},{"ID":"DB00503"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08908","Name":"Dimethyl fumarate","DrugType":"small molecule","HalfLife":"MMF has a short half life of about 1 hour, and MMF does not accumulate after repeated doses of dimethyl fumarate.\r\n","Description":"Dimethyl fumarate is an anti-inflammatory. It is indicated for multiple sclerosis patients with relapsing forms and is also being investigated for the treatment of psoriasis. The mechanism of action of dimethyl fumarate in multiple sclerosis is not well understood. It is thought to involve dimethyl fumarate degradation to its active metabolite monomethyl fumarate (MMF) then MMF up-regulates the Nuclear factor (erythroid-derived 2)-like 2 (Nrf2) pathway that is activated in response to oxidative stress. Dimethyl fumarate is marketed under the brand name Tecfidera.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in multiple sclerosis patients with relapsing forms.","Toxicity":"The most common side effects observed were nausea, diarrhea, abdominal pain, and flushing.","MechanismOfAction":"The mechanism of action of dimethyl fumarate in multiple sclerosis is not well understood. It is thought to involve dimethyl fumarate degradation to its active metabolite monomethyl fumarate (MMF). MMF up-regulates the Nuclear factor (erythroid-derived 2)-like 2 (Nrf2) pathway that is activated in response to oxidative stress. As well MMF is an agonist at the nicotinic acid receptor, but the relevance of this is not known.","Pharmacodynamics":"The physiological effects dimethyl fumarate has on the body is not well understood. It is known that dimethyl fumarate has anti-inflammatory and cytoprotective effects, which both are likely involved in its actions in multiple sclerosis patients.","Absorption":"Once ingested, dimethyl fumarate is rapidly hydroylyzed by esterases to MMF. Thus there is negligible amount of dimethyl fumarate in the body, and all pharmacokinetic information is quantified with MMF. In multiple sclerosis patients, the time to maximum concentration of MMF is 2 to 2.5 hours and the maximum concentration is 1.87 mg/L. \r\n","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB08909","Name":"Glycerol Phenylbutyrate","DrugType":"small molecule","HalfLife":"","Description":"Glycerol phenylbutyrate is a nitrogen-binding agent. Chemically, it is a triglyceride in which three molecules of phenylbutyrate are linked to a glycerol backbone. FDA approved on February 1, 2013. ","Classification":{"Description":"This compound belongs to the triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.","DirectParent":"Triacylglycerols","Kingdom":"Organic Compounds","SuperClass":"Lipids","Class":"Glycerolipids","SubClass":"Triacylglycerols"},"Indication":"Glycerol phenylbutyrate is a nitrogen-binding agent for the chronic management of adult and pediatric patients ≥2 years of age with urea cycle disorders (UCDs) who cannot be managed by dietary protein restriction and/or amino acid supplementation alone. ","Toxicity":"Most common adverse reactions in ≥10% of patients are diarrhea, flatulence, and headache.","MechanismOfAction":"The toxic accumulation of ammonia in the blood and brain arise from urea cycle disorders in which patients are deficient in critical enzymes or transporters that are involved in the synthesis of urea from ammonia. Glycerol phenylbutyrate is a prodrug - the major metabolite, phenylacetate (PAA) is the molecule that binds to nitrogen. PAA conjugates with glutamine (which contains 2 molecules of nitrogen) via acetylation in the liver and kidneys to form phenylacetylglutamine (PAGN), which is excreted by the kidneys. PAGN, like urea, contains 2 moles of nitrogen and provides an alternate vehicle for waste nitrogen excretion. ","Pharmacodynamics":"Glycerol phenylbutyrate prolongs the QTc interval. ","Absorption":"Glycerol phenylbutyrate is a prodrug in which phenylbutyrate (PBA) is released from the glycerol backbone by lipases in the gastrointestinal tract. PBA then undergoes beta-oxidtion to form PAA. When a single oral dose of 2.9 mL/m2 of Glycerol phenylbutyrate is given to fasting adult subjects, the pharmacokinetic parameters are as follows: \r\nTmax: PBA = 2 hours; PAA = 4 hours; PAGN = 4 hours. \r\nCmax: PBA = 37.0 µg/mL; PAA = 14.9 µg/mL; PAGN = 30.2 µg/mL. \r\nIn healthy subjects, the hydrolysis of glycerol phenylbutyrate is incomplete, but to what extent is unknown. \r\nWhen glycerol phenylbutyrate is given to adult UCD patients, maximum plasma concentrations at steady state (Cmaxss) of PBA, PAA, and PAGN occurred at 8 h, 12 h, and 10 h, respectively, after the first dose in the day. Intact glycerol phenylbutyrate was not detectable in plasma in UCD patients.\r\n","Interactions":[{"ID":"DB00502"},{"ID":"DB00635"},{"ID":"DB01032"},{"ID":"DB00313"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08910","Name":"Pomalidomide","DrugType":"small molecule","HalfLife":"Healthy subjects = 9.4 hours;\r\nMultiple myeloma patients = 7.5 hours. ","Description":"Pomalidomide, an analogue of thalidomide, is an immunomodulatory antineoplastic agent. FDA approved on February 8, 2013. ","Classification":{"Description":"This compound belongs to the isoindolones. These are aromatic polycyclic compounds that an isolindole bearing a ketone.","DirectParent":"Isoindolones","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Isoindoles and Derivatives","SubClass":"Isoindolines"},"Indication":"Pomalidomide is indicated for patients with multiple myeloma who have received at least two prior therapies including lenalidomide and bortezomib and have demonstrated disease progression on or within 60 days of completion of the last therapy.","Toxicity":"Most common adverse reactions (≥30%) included fatigue and asthenia, neutropenia, anemia, constipation, nausea, diarrhea, dyspnea, upper-respiratory tract infections, back pain and pyrexia. ","MechanismOfAction":"Promalidomide is an immunomodulatory agent with antineoplastic activity. It is shown to inhibit the proliferation and induce apoptosis of various tumour cells. Furthermore, promalidomide enhances T cell and natural killer (NK) cell-mediated immunity and inhibited the production of pro-inflammatory cytokines, like TNF-alpha or IL-6, by monocytes. The primary target of promalidomide is thought to be the protein cereblon. It binds to this target and inhibits ubiquitin ligase activity. It is also a transcriptional inhibitor of COX2. ","Pharmacodynamics":"Pomalidomide is more potent than thalidomide (100-times) and lenalidomide (10-times). ","Absorption":"Pomalidomide is generally well absorbed. The major circulating component is the parent compound. \r\nTmax, single oral dose = 2 -3 hours. \r\nWhen 4 mg of promalidomide is given to patients with multiple myeloma, the steady-state pharmacokinetic parameters are as follows:\r\nAUC(T) = 400 ng.hr/mL;\r\nCmax = 75 ng/mL. \r\nPromalidomide accumulates following multiple doses. ","Interactions":[{"ID":"DB01026"},{"ID":"DB01045"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08911","Name":"Trametinib","DrugType":"small molecule","HalfLife":"Elimination half-life = 3.9-4.8 days. ","Description":"Trametinib dimethyl sulfoxide is a kinase inhibitor. Each 1-mg tablet contains 1.127 mg trametinib dimethyl sulfoxide equivalent to 1 mg of trametinib non-solvated parent. FDA approved on May 29, 2013. ","Classification":{"Description":"This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine.","DirectParent":"Pyridopyrimidines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Pyridopyrimidines","SubClass":""},"Indication":"Trametinib is indicated for the treatment of unresectable or metastatic melanoma with BRAF V600E or V600K mutations, as detected by an FDA-approved test. ","Toxicity":"Most common adverse reactions (≥20%) for trametinib include rash, diarrhea, and lymphedema. ","MechanismOfAction":"Trametinib is a reversible, allosteric inhibitor of mitogen-activated extracellular signal regulated kinase 1 (MEK1) and MEK2 activation and of MEK1 and MEK2 kinase activity. MEK proteins are upstream regulators of the extracellular signal-related kinase (ERK) pathway, which promotes cellular proliferation. Trametinib helps with melanoma with the BRAF V600E or V600K as the mutation results in the constitutive activation of the BRAF pathway which includes MEK1 and MEK2.","Pharmacodynamics":"When 1 mg and 2 mg trametinib is given to patients with BRAF V600 mutation-positive melanoma, an inhibition of phosphorylated ERK and Ki67, and an increase in p27 was observed. These changes indicate that trametinib caused a decrease in cell proliferation and an increase in apoptosis, respectively. ","Absorption":"Trametinib is rapidly absorbed. When an oral administration of trametinib was given to patients with BRAF V600 mutation-positive melanoma, peak plasma concentration occurred 1.5 hours post-dose (Tmax). A single 2 mg oral dose has a bioavailability of 72%. When a dose of 2mg/day is given, the peak plasma concentration (Cmax) is 22.2 ng/mL. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08912","Name":"Dabrafenib","DrugType":"small molecule","HalfLife":"Dabrafenib = 8 hours; \r\nHydroxy-dabrafenib = 10 hours;\r\nCarboxy-dabrafenib = 21-22 hours;\r\nDesmethyl-dabrafenib = 21- 22 hours. ","Description":"Dabrafenib mesylate is a reversible ATP-competitive kinase inhibitor and targets the MAPK pathway. FDA approved on May 29, 2013. ","Classification":{"Description":"This compound belongs to the phenylthiazoles. These are compounds containing a phenylthiazole moiety, which consists of an thiazole ring attacthed to a phenyl group.","DirectParent":"Phenylthiazoles","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Azoles","SubClass":"Thiazoles"},"Indication":"Dabrafenib is indicated for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E mutation as detected by an FDA-approved test.","Toxicity":"Most common adverse reactions (≥20%) for dabrafenib are hyperkeratosis, headache, pyrexia, arthralgia, papilloma, alopecia, and palmar-plantar erythrodysesthesia syndrome. ","MechanismOfAction":"Dabrafenib is an inhibitor of some mutated forms of BRAF kinases with in vitro IC50 values of 0.65, 0.5, and 1.84 nM for BRAF V600E, BRAF V600K, and BRAF V600D enzymes, respectively. Dabrafenib also inhibits wild-type BRAF and CRAF kinases with IC50 values of 3.2 and 5.0 nM, respectively, and other kinases such as SIK1, NEK11, and LIMK1 at higher concentrations. Some mutations in the BRAF gene, including those that result in BRAF V600E, can result in constitutively activated BRAF kinases that may stimulate tumor cell growth. ","Pharmacodynamics":"Dabrafenib caused an inhibition of phosphorylated ERK. This indicates a decrease in cell proliferation. Furthermore, within 24 hours of administration, downstream mediators of the MAPK pathway were inhibited. ","Absorption":"After oral administration, median time to achieve peak plasma concentration (Tmax) is 2 hours. Mean absolute bioavailability of oral dabrafenib is 95%. ","Interactions":[{"ID":"DB00564"},{"ID":"DB01211"},{"ID":"DB01241"},{"ID":"DB01026"},{"ID":"DB00683"},{"ID":"DB01149"},{"ID":"DB00213"},{"ID":"DB01174"},{"ID":"DB00252"},{"ID":"DB00863"},{"ID":"DB01045"}],"Salts":[{"ID":"DBSALT000036","Name":"Dabrafenib Mesylate "}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08913","Name":"Radium Ra 223 Dichloride","DrugType":"small molecule","HalfLife":"The half-life is relatively long at 11.4 days for radium-223.\r\n","Description":"Radium Ra 223 Dichloride is a radiopharmaceutical containing the radioisotope radium-223 that emits short range but high linear energy alpha particles. As a cation, radium mimics calicum and binds to hydroxyapatite, which is a bone mineral found in areas of high bone turnover as seen in bone metastases. It was first approved by the FDA in May 2013 and is currently marketed under the brand name Xofigo, which was formerly called Alpharadin. Xofigo is indicated in patients who have metastatic bone cancer that is symptomatic with no visceral metastases and patients who have prostate cancer that is castration resistant. The FDA label includes a warning that Radium Ra 223 Dichloride should not be used in women who are pregnant or may become pregnant due to the high risk of fetal harm.","Classification":{"Description":"This compound belongs to the alkaline earth metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.","DirectParent":"Alkaline Earth Metal Chlorides","Kingdom":"Inorganic Compounds","SuperClass":"Mixed Metal/Non-metal Compounds","Class":"Alkaline Earth Metal Salts","SubClass":"Alkaline Earth Metal Chlorides"},"Indication":"Used in patients who have metastatic bone cancer that is symptomatic with no visceral metastases and patients who have prostate cancer that is castration resistant.\r\n","Toxicity":"Because of its cytotoxic actions that have a high potential to cause fetal harm, Radium Ra 223 Dichloride is contraindicated in women who are pregnant or are of child bearing age. Other side effects include several hematological lab abnormalities, peripheral edema, nausea, vomiting, and diarrhea.\r\n","MechanismOfAction":"Radium Ra 223 Dichloride is the radioisotope radium-223 that emits short range but high linear energy alpha particles. As a cation, radium mimics calicum and binds to hydroxyapatite, which is a bone mineral found in areas of high bone turnover as seen in bone metastases. The high energy damages bone cells by introducing double-stranded DNA breaks. This leads to cell death and prevention of the spread of the bone cancer cells. As well because of the alpha particle's short range of less than 10 cell diameters, its damaging effects would less likely affect the non-cancerous cells nearby. \r\n","Pharmacodynamics":"Physiologically, Radium Ra 223 Dichloride, prevents the spread of bone cancer by killing the associated bone cancer cells.","Absorption":"Since Radium Ra 223 Dichloride is administered I.V., the bioavailability should be 100%. ","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB08914","Name":"Insulin, isophane","DrugType":"biotech","HalfLife":"","Description":"Isophane insulin or NPH insulin (neutral protamine Hagedorn) is an intermediate-acting insulin to improve glycemic control. It is synthesized using a strain of Escherichia coli bacteria that has been genetically altered to produce human insulin. Human insulin isophane suspension consists of a crystalline suspension of human insulin with protamine and zinc. This combination results in an intermediate-acting insulin with a slower onset of action and longer duration of activity than regular human insulin. ","Classification":{"Description":"","DirectParent":"Peptides","Kingdom":"Organic Compounds","SuperClass":"Organic Acids","Class":"Carboxylic Acids and Derivatives","SubClass":"Amino Acids, Peptides, and Analogues"},"Indication":"Used to improve glycemic control in patients with type 1 or type 2 diabetes mellitus. ","Toxicity":"Hypoglycemia is one of the most frequent adverse events experienced by insulin users.\r\n","MechanismOfAction":"The primary activity of insulin is the regulation of glucose metabolism. Insulin promotes glucose and amino acid uptake into muscle and adipose tissues, and other tissues except brain and liver. It also has an anabolic role in stimulating glycogen, fatty acid, and protein synthesis. Insulin inhibits gluconeogenesis in the liver. Insulin binds to the insulin receptor (IR), a heterotetrameric protein consisting of two extracellular alpha units and two transmembrane beta units. The binding of insulin to the alpha subunit of IR stimulates the tyrosine kinase activity intrinsic to the beta subunit of the receptor. The bound receptor is able to autophosphorylate and phosphorylate numerous intracellular substrates such as insulin receptor substrates (IRS) proteins, Cbl, APS, Shc and Gab 1. These activated proteins, in turn, lead to the activation of downstream signaling molecules including PI3 kinase and Akt. Akt regulates the activity of glucose transporter 4 (GLUT4) and protein kinase C (PKC) which play a critical role in metabolism and catabolism","Pharmacodynamics":"When 0.3 Units/kg of NPH insulin was subcutaneously administered, the onset of action was approximately 0.8 hours. The duration of action was 13.2 hours. The peak activity of NPH insulin occurs 4-6 hours post-dose. Compared to insulin glargine, NPH insulin has a quicker onset of action and shorter duration of action. ","Absorption":"NPH insulin is generally well and rapidly absorbed from the site of injection. Absorption does not differ if it is subcutaneously administered in the thigh or abdomen. when 0.5 IU/kg of NPH insulin was given to adult type 1 diabetes patients before breakfast, the pharmacokinetic parameters are as follows: \r\nAUC (0-24hours) = 111,941 ± 77,941 pmol · l-1 · min-1;\r\nCmax = 149 ± 121 pmol/l;\r\nTmax = 480 ± 237 minute. \r\nIt is important to note that NPH insulin has a high degree of patient variability in its absorption profile. ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08915","Name":"Aleglitazar","DrugType":"small molecule","HalfLife":"","Description":"Aleglitazar is an investigational drug from the company Hoffmann–La Roche and is currently in a phase III clinical trial called ALECARDIO. It is being investigated for use in patients with type II diabetes to reduce their risks of cardiovascular mortality and morbidity. Aleglitazar is an agonist at the peroxisome proliferator-activated receptor (PPAR) for both the PPARα and PPARγ receptor subtypes. In the phase II clinical trial called SYNCHRONY, with type II diabetic patients, aleglitazar was able to control both lipid and glucose levels in a synergistic manner while also having limited side effects and toxicity.","Classification":{"Description":"This compound belongs to the tyrosols and derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.","DirectParent":"Tyrosols and Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":"Phenols and Derivatives"},"Indication":"Investigated for use in patients with type II diabetes to reduce their risks of cardiovascular mortality and morbidity.","Toxicity":"","MechanismOfAction":"Aleglitazar was rationally designed to be an agonist at the peroxisome proliferator-activated receptor (PPAR) for both the PPARα and PPARγ receptor subtypes. Agonistic action at PPARα controls lipid levels, which improves dyslipidemia, and agonistic action at PPARγ controls glucose levels, which improves insulin sensitivity in diabetes.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB08916","Name":"Afatinib","DrugType":"small molecule","HalfLife":"Cancer patients, repeat dosing = 37 hours ","Description":"Afatinib is a tyrosine kinase inhibitor which is a 4-anilinoquinazoline. It is prepared has the dimaleate salt. FDA approved on July 12, 2013. ","Classification":{"Description":"This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.","DirectParent":"Quinazolinamines","Kingdom":"Organic Compounds","SuperClass":"Heterocyclic Compounds","Class":"Naphthyridines","SubClass":"Quinazolines"},"Indication":"Afatinib is a kinase inhibitor indicated for the first-line treatment of patient with metastatic non-small cell lung cancer (NSCLC) whose tumours have epidermal growth factor receptor (EGFR) exon 19 deletions or exon 21 (L858R) substitution mutations as detected by an FDA-approved test.","Toxicity":"Most common adverse reactions (≥20%) are diarrhea, rash/dermatitis, acneiform, stomatitis, paronychia, dry skin, decreased appetite, pruritus. ","MechanismOfAction":"Afatinib is an irreversible kinase inhibitor and binds to the kinase domains of EGFR (ErbB1), HER2 (ErbB2), and HER4 (ErbB4) to inhibit tyrosine kinase autophosphorylation. This results in a downregulation of ErbB signalling and subsequent inhibition of proliferation of cell lines expressing wild-type EGFR, selected EGFR exon 19 deletion mutations, or exon 21 L858R mutations. It also inhibited in vitro proliferation of cell lines overexpressing HER2. Overall, tumour growth was inhibited. ","Pharmacodynamics":"Afatinib did not effect the QTc interval. ","Absorption":"Following oral administration, time to peak plasma concentration (Tmax) is 2 to 5 hours. The geometric mean relative bioavailability of 20 mg tablets was 92% as compared to an oral solution. Food decreases Cmax and AUC relative to the fasted state. ","Interactions":null,"Salts":[{"ID":"DBSALT000005","Name":"Afatinib Dimaleate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08917","Name":"Ferric Carboxymaltose","DrugType":"small molecule","HalfLife":"7 to 12 hours. ","Description":"Ferric Carboxymaltose is an iron replacement product and chemically, an iron carbohydrate complex. FDA approved on July 25, 2013. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Ferric carboxymaltose is a iron replacement product indicated for the treatment of iron deficiency anemia in adult patients who have intolerance to oral iron or have had unsatisfactory response to oral iron or those who have non-dialysis dependent chronic kidney disease. ","Toxicity":"The most common adverse reactions (\u003e2%) are nausea, hypertension,\r\nflushing, hypophosphatemia, and dizziness. ","MechanismOfAction":"Ferric carboxymaltose is a colloidal iron (III) hydroxide in complex with carboxymaltose, a carbohydrate polymer that release iron. ","Pharmacodynamics":"When measured using positron emission tomography (PET), the red cell uptake of 59-Fe and 52-Fe from INJECTAFER ranged from 61% to 99%. In patients with iron deficiency, the red cell uptake ranged from 91% to 99%. In patients with renal anemia, the red cell uptake ranged from 61% to 84%. ","Absorption":"When a single dose of 100 to 1000 mg of iron was given to iron deficient patients, the maximum serum concentration (Cmax) was 37 μg/mL to 333 μg/mL. These levels were obtained 15 minutes to 1.21 hours post dose (Tmax). ","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08918","Name":"Levomilnacipran","DrugType":"small molecule","HalfLife":"12 hours ","Description":"Levomilnacipran is a selective serotonin and norepinephrine reuptake inhibitor. Chemically, levomilnacipran is the 1S,2R-enantiomer of milnacipran. FDA approved on July 25, 2013. ","Classification":{"Description":"This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.","DirectParent":"Benzene and Substituted Derivatives","Kingdom":"Organic Compounds","SuperClass":"Benzenoids","Class":"Benzene and Substituted Derivatives","SubClass":""},"Indication":"Levomilnacipran is a serotonin and norepinephrine reuptake inhibitor and is indicated for the treatment of major depressive disorder (MDD). ","Toxicity":"The most common adverse reactions are nausea, constipation, hyperhidrosis, heart rate increase, erectile dysfunction, tachycardia, vomiting, and palpitations. ","MechanismOfAction":"The exact mechanism of the antidepressant action of levomilnacipran is unknown but is thought to be related to the potentiation of serotonin and norephinephrine in the central nervous system through inhibition of reuptake at serotonin and norepinephrine transporters. ","Pharmacodynamics":"Levomilnacipran binds with high affinity to human serotonin (5-HT) and norepinephrine (NE) transporters (Ki = 11 and 91 nM, respectively). It potently inhibits 5-HT and NE reuptake (IC50 = 16 - 19 and 11 nM, respectively). Levomilnacipran does not bind to any other receptors, ion channels, or transporters, including serotonergic (5HT1-7), α- and β adrenergic, muscarinic, or histaminergic receptors and Ca2+, Na+, K+ or Cl- channels to a significant degree. Levomilnacipran did not inhibit monoamine oxidase (MAO). Furthermore, levomilnacipran does not prolong the QTc interval to a clinically relevant extent. ","Absorption":"The relative bioavailability after administration of the extended-release capsule was 92% when compared to oral solution. Food does not affect the concentration of levomilnacipran. After daily dosing of levomilnacipran (extended-release capsule) the mean Cmax is 341 ng/mL, and the mean steady-state AUC value is 5196 ng·h/mL. The Tmax is 6 - 8 hours after oral administration. Interconversion of stereoisomers does not occur in humans. ","Interactions":[{"ID":"DB01026"}],"Salts":[{"ID":"DBSALT000107","Name":"Levomilnacipran Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08923","Name":"Epoetin Zeta","DrugType":"biotech","HalfLife":"Toxicokinetic results from rats in a 13 week toxicity study after a single subcutaneous dose:\r\n\r\n7.37 hours (+/- 0.70) with 500 IU/kg [test 1]\r\n8.63 hours (+/- 2.78) with 2500 IU/kg [test 2]\r\n8.76 hours (+/- 1.46) with 2500 IU/kg [reference dose]","Description":"The active substance in Epoetin zeta is a recombinant human erythropoietin (rhEPO) of identical primary structure produced in Chinese Hamster Ovary (CHO) cells. The molecular weight of the glycosylated protein is 30.6 kDa according to the Ph. Eur. monograph, 40% of which are carbohydrate structures. The oligosaccharide chains are subject to posttranslational modifications and display heterogeneity to a certain extent. Epoetin zeta is also identical to Epoetin alfa in terms of its amino acid sequence. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"For use in the treatment of symptomatic anaemia associated with chronic renal failure (CRF) in adult and paediatric patients. Also for use in the treatment of anaemia and reduction of transfusion requirements in adult patients receiving chemotherapy for solid tumours, malignant lymphoma or multiple myeloma, and at risk of transfusion as assessed by the patient's general status (e.g. cardiovascular status, pre-existing anaemia at the start of chemotherapy). Also for used to increase the yield of autologous blood from patients in a predonation program. When administered subcutaneously, Epoetin Zeta is equivalent to Epoetin Alfa in terms of clinical effectiveness. ","Toxicity":"","MechanismOfAction":"Binding of erythropoietin to the erythropoietin receptor leads to receptor dimerization, which facilitates activation of JAK-STAT signaling pathways within the cytosol. Activated STAT (signal transducers and activators of transcription) proteins are then translocated to the nucleus where they serve as transcription factors which regulate the activation of specific genes involved in cell division or differentiation.","Pharmacodynamics":"Used in the treatment of anemia. Involved in the regulation of erythrocyte differentiation and the maintenance of a physiological level of circulating erythrocyte mass.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08924","Name":"Amfecloral","DrugType":"small molecule","HalfLife":"","Description":"Amfecloral (INN), also known as amphecloral (USAN), is a stimulant drug of the phenethylamine and amphetamine chemical classes that was used as an appetite suppressant under the trade name Acutran, but is now no longer marketed. It acts as a prodrug which splits to form amphetamine and chloral hydrate, similarly to clobenzorex and related compounds, except that the N-substituent in this case yields a compound that is active in its own right. The chloral hydrate metabolite is a gabaminergic sedative/hypnotic, and would in theory counteract some of the stimulant effects of the amphetamine metabolite. This would produce an effect similar to the amphetamine/barbiturate combinations previously used in psychiatric medications. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used as an appetite suppressant.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08925","Name":"Adrafinil","DrugType":"small molecule","HalfLife":"","Description":"Adrafinil is a mild central nervous system stimulant drug used to relieve excessive sleepiness and inattention in elderly patients. It is also used off-label by individuals wishing to avoid fatigue, such as night workers or others who need to stay awake and alert for long periods of time. Adrafinil does not currently have FDA approval and is thus unregulated in the United States. It was marketed in France and elsewhere in Europe under the trade name Olmifon until September 2011 when France's FDA equivalent reassessed the drug and withdrew marketing permission. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used to relieve excessive sleepiness and inattention in elderly patients.","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"Adrafinil is a prodrug; it is primarily metabolized in vivo to modafinil, resulting in nearly identical pharmacological effects. Unlike modafinil, however, it takes time for the metabolite to accumulate to active levels in the bloodstream. Effects usually are apparent within 45–60 minutes when taken orally on an empty stomach.","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08926","Name":"Acediasulfone","DrugType":"small molecule","HalfLife":"","Description":"Acediasulfone (INN) is an antimicrobial drug, which also has antimalarial activity. It is a long-acting prodrug of dapsone, which is used for treating leprosy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT000923","Name":"Acediasulfone sodium"}],"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08927","Name":"Amperozide","DrugType":"small molecule","HalfLife":"","Description":"Amperozide is an atypical antipsychotic of the diphenylbutylpiperazine class which acts as an antagonist at the 5-HT2A receptor. It does not block dopamine receptors as with most antipsychotic drugs, but does inhibit dopamine release, and alters the firing pattern of dopaminergic neurons. It was investigated for the treatment of schizophrenia in humans, but never adopted clinically, its main use is instead in veterinary medicine, primarily in intensively farmed pigs, for decreasing aggression and stress and thereby increasing feeding and productivity. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08928","Name":"Arsthinol","DrugType":"small molecule","HalfLife":"","Description":"Arsthinol (INN) is an antiprotozoal agent. It was synthesized for the first time in 1949 by Ernst A.H. Friedheim by complexation of acetarsol with 2,3-dimercaptopropanol (British anti-Lewisite) and has been demonstrated to be effective against amoebiasis and yaws. It was marketed few years latter by Endo Products (Balarsen, Tablets, 0.1 g). Among trivalent organoarsenicals, arthinol was considered as very well tolerated. Recently, it was studied for its anticancer activity. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Antiprotozoal agent effective against amoebiasis and yaws.","Toxicity":"Oral,mouse: LD50 = 300 mg/kg; Oral, rabbit: LD50 = 3200 mg/kg; Oral, rat: LD50 = 980 mg/kg.","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08929","Name":"MK-8931","DrugType":"small molecule","HalfLife":"","Description":"MK-8931 is Merck’s investigational oral β-site amyloid precursor protein cleaving enzyme (BACE1 or β secretase) inhibitor. In July 2013, Merck announced positive results for Phase Ib trials of MK-8931. In the study, administration of MK-8931 at doses of 12, 40 and 60 mg resulted in a dose-dependent and sustained reduction in the levels of Ab40, a measure of BACE1 activity, in CSF from baseline of 57, 79 and 84 percent, respectively. MK-8931 is currently in Phase II/III trials.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Investigated for the treatment of Alzheimer's disease.","Toxicity":"","MechanismOfAction":"The amyloid hypothesis asserts that the formation of amyloid peptides that lead to amyloid plaque deposits in the brain is a primary contributor to the underlying cause of Alzheimer's disease. BACE is believed to be a key enzyme in the production of amyloid β peptide. Evidence suggests that inhibiting BACE decreases the production of amyloid β peptide and may therefore reduce amyloid plaque formation and modify disease progression.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB08930","Name":"Dolutegravir","DrugType":"small molecule","HalfLife":"Terminal half life = 14 hours ","Description":"Dolutegravir is indicated for HIV-1 infection for adults and children and adolescents ≥12 years of age and weighing ≥40 kg. It is marketed as Tivicay as dolutegravir sodium. 52.6 mg of dolutegravir sodium is equivalent to 50 mg dolutegravir free acid. FDA approved on August 12, 2013.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Dolutegravir is indicated in combination with other antiretroviral agents for the treatment of human immunodeficiency virus type 1 (HIV-1) infection in adults and children aged 12 years and older and weighing at least 40 kg. ","Toxicity":"The most common adverse reactions of moderate to severe intensity and incidence ≥2% (in those receiving TIVICAY in any one adult trial) are insomnia and headache. ","MechanismOfAction":"Dolutegravir is an HIV-1 antiviral agent. It inhibits HIV integrase by binding to the active site and blocking the strand transfer step to retroviral DNA integration. This is an essential step of the HIV replication cycle and will result in an inhibition of viral activity. Dolutegravir has a mean EC50 value of 0.5 nM (0.21 ng/mL) to 2.1 nM (0.85 ng/mL) in peripheral blood mononuclear cells (PBMCs) and MT-4 cells. ","Pharmacodynamics":"HIV-1 infected subjects on dolutegravir monotherapy demonstrated rapid and dose-dependent antiviral activity with mean declines from baseline to Day 11 in HIV-1 RNA of 1.5, 2.0, and 2.5 log10 for dolutegravir 2 mg, 10 mg, and 50 mg once daily, respectively. Antiviral response was maintained for 3 to 4 days after the last 50 mg dose. Dolutegravir did not prolong the QTc interval over 24 hours postdose. The maximum mean QTc change based on Fridericia correction method (QTcF) for dolutegravir was 2.4 msec (1-sided 95% upper CI: 4.9 msec). Those given a 50 mg once daily dose of dolutegravir also experienced a decrease in creatinine clearance as determined by 24-hour urine collection after 14 days. There is no significant effect on actual glomerular filtration rate or renal plasma flow compared to placebo. ","Absorption":"When 50 mg of dolutegravir once daily was orally administered to HIV-1 infected adults, the AUC (0-24), Cmax, and Cmin is 53.6 mcg.h/mL, 3.67 mcg/mL, and 1.11 mcg/mL, respectively. The peak plasma concentration was observed 2 to 3 hours post dose. Steady state is achieved within approximately 5 days with average accumulation ratios for AUC, Cmax, and C24h ranging from 1.2 to 1.5. When 50 mg once daily is given to pediatric patients (12 to \u003c18 years and weighing ≥40 kg) the Cmax, AUC (0-24), and C24 is 3.49 mcg/mL, 46 mcg.h/mL, and 0.90 mcg/mL respectively. ","Interactions":null,"Salts":[{"ID":"DBSALT000943","Name":"Dolutegravir Sodium"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08932","Name":"MACITENTAN","DrugType":"small molecule","HalfLife":"The half life of macitentan is 16 hours, and the half life of it's active metabolite is 48 hours.","Description":"Macitentan was approved in October 2013. It is indicated for patients with pulmonary arterial hypertension, and is marketed under the brand name Opsumit. Macitentan is an antagonist/blocker of endothelin receptors on blood vessels and smooth muscle, and, thus, blocks the stimulation of vasculature hypertrophy, inflammation, fibrosis, proliferation, and vasoconstriction. Similar to all drugs acting on the renin-angiotensin system, macitentan is associated with embryo and fetal toxicity, so it should not be used in pregnancy and has special precautions that must be followed for all females of child-bearing age. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Macitentan is indicated for patients with pulmonary arterial hypertension.","Toxicity":"Macitentan has a black box warning of embryo-fetal toxicity. Special precautions must be taken for all females of child-bearing age, and women who are pregnant must not be given macitentan. \r\n ","MechanismOfAction":"Macitentan is an antagonist/blocker of endothelin receptors. Endothelin receptors are found in the endothelial cells of blood vessels and smooth muscle. Macitentan binds to the receptors, endothelin A and B (ETA and ETB), which prevents the agonist endothelin -1 (ET-1) from binding and stimulating the ETA and ETB receptors.","Pharmacodynamics":"Macitentan blocks simulators of hypertrophy, inflammation, fibrosis, proliferation, and vasoconstriction. ","Absorption":"Macitentan is administered orally, and it take about 8 hours for maximum plasma concentrations to be reached.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08933","Name":"LULICONAZOLE","DrugType":"small molecule","HalfLife":"The half life of luliconazole has yet to be determined.","Description":"Luliconazole was approved by the FDA (USA) in November 2013 and is marketed under the brand name Luzu. It is a topical antifungal agent that acts by unknown mechanisms but is postulated to involve altering the synthesis of fungi cell membranes. Luliconazole is also approved in Japan.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Luliconazole is indicated in adults aged 18 years and older for the topical treatment of fungal infections caused by Trichophyton rubrum and Epidermophyton floccosum, specifically tinea pedis, cruris, and corporis.\r\n ","Toxicity":"In clinical trials, no serious toxicity was reported, only local irritation (mild contact dermatitis and cellulitis) at the site of application was found.","MechanismOfAction":"The exact mechanism of action for luliconazole's anti-fungal activity is still not known, but luliconazole is thought to inhibit the enzyme lanosterol demethylase. Lanosterol demethylase is needed for the synthesis of ergosterol, which is a major component of the fungus cell membranes. ","Pharmacodynamics":"Luliconazole kills the organisms Trichophyton rubrum and Epidermophyton floccosum, most likely by altering their fungal cell membranes.","Absorption":"Although luliconazole is administered topically, clinical studies have shown that after the first dose in patients with tina pedis, a maximum plasma concentration of 0.40 ± 0.76 ng/mL (mean ± SD) occurred in 16.9 ± 9.39 hours (mean ± SD).","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08934","Name":"Sofosbuvir","DrugType":"small molecule","HalfLife":"Sofosbuvir has a terminal half life of 0.4 hours.","Description":"Sofosbuvir is a medication used as part of combination therapy to treat hepatitis C virus (HCV) infection or HCV and HIV co-infection. Sofosbuvir is nucleotide analog inhibitor, which specifically inhibits HCV NS5B polymerase. Sofosbuvir was approved by the FDA in December 2013, and is marketed under the brand name Sovaldi.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Sofosbuvir is used in combination therapy to treat chronic hepatitis C virus (HCV) infected patients with HCV genoptype 1,2,3, or 4, and to treat HCV and HIV co-infected patients. The combination therapy includes either ribavirin alone or ribavirin and peg-interferon alfa.","Toxicity":"Sofosbuvir, as a single agent, has very mild toxicity. The most common adverse reactions are headache and fatigue.","MechanismOfAction":"Sofosbuvir is nucleotide analog inhibitor, which specifically inhibits HCV NS5B polymerase. Sofosbuvir prevents HCV viral replication by binding to the two Mg2+ ions present in HCV NS5B polymerase's GDD active site motif.\r\n\r\n","Pharmacodynamics":"Sofosbuvir acts against HCV and is categorized as a direct-acting antiviral agent (DAA).","Absorption":"When given orally, sofosbuvir reaches its maximum plasma concentration in about 0.5 to 2 hours.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08935","Name":"Obinutuzumab","DrugType":"biotech","HalfLife":"The half life of obinutuzumab is 28.4 days.","Description":"Obinutuzumab is a humanized monoclonal antibody used as a combination treatment with chlorambucil to treat patients with untreated chronic lymphocytic leukemia. It was approved by the FDA in November 2013 and is marketed under the brand name Gazyva. There is a black box warning of fatal Hepatitis B Virus (HBV) reactivation and fatal Progressive Multifocal Leukoencephalopathy (PML).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Obinutuzumab is used as a combination treatment with chlorambucil to treat patients with untreated chronic lymphocytic leukemia.","Toxicity":"The most serious toxicities observed with obinutuzumab are Hepatitis B virus (HBV) reactivation and progressive multifocal leukoencephalopathy (PML). HBV reactivation can occur with all anti-CD20 antibodies and can result in hepatic failure, fulminant hepatitis, and death. PML occurs as a result of JC virus infection and can be fatal as well. Other common but less serious adverse reactions include infusion reactions (pre-treat with glucocorticoids, acetaminophen, and anti-histamine to prevent this), neutropenia, thrombocytopenia, and Tumor Lysis Syndrome (TLS) (pre-treat patients, especially with a high lymphocyte count and/or a high tumor burden, with anti-hyperuricemics and hydration). It is also recommended to NOT administer live virus vaccinations prior to or during obinutuzumab treatment.","MechanismOfAction":"In contrast to rituximab, which is a classic type I CD20 antibody, obinutuzumab binds to type II CD20 antibodies. This allows obinutuzumab to have a much higher induction of antibody-dependant cytotoxicity and a higher direct cytotoxic effect than the classic CD20 antibodies.\r\n","Pharmacodynamics":"Obinutuzumab is more potent than rituximab in depleting B-cells, antitumor activity, and tumor regression.","Absorption":"Obinutuzumab is administered intravenously, so its absorption is 100%.","Interactions":[{"ID":"DB09026"},{"ID":"DB08879"},{"ID":"DB00363"},{"ID":"DB06643"},{"ID":"DB00063"},{"ID":"DB01097"},{"ID":"DB00108"},{"ID":"DB00337"},{"ID":"DB01656"},{"ID":"DB06688"},{"ID":"DB00864"},{"ID":"DB08895"},{"ID":"DB00072"}],"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08936","Name":"Chlorcyclizine","DrugType":"small molecule","HalfLife":"about 12 h. ","Description":"Chlorcyclizine is a first generation phenylpiperazine class antihistamine used to treat urticaria, rhinitis, pruritus, and other allergy symptoms. Chlorcyclizine also has some local anesthetic, anticholinergic, and antiserotonergic properties, and can be used as an antiemetic. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"Readily absorbed after oral administration and widely distributed throughout the body. Metabolised by N-demethylation to form norchlorcyclizine and by N-oxidation.","Interactions":null,"Salts":[{"ID":"DBSALT001022","Name":"Chlorcyclizine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08937","Name":"TAS-102","DrugType":"small molecule","HalfLife":"","Description":"TAS-102 (Taiho Pharma USA, Inc.) is an anti-cancer drug under development and in stage 3 clinical trials for the treatment of colorectal cancer. It is composed of the thymidine phosphorylase inhibitor (TPI) tipiracil and the cytotoxin trifluridine. Trifluridine inhibits tumor growth by being incorporated into DNA during DNA synthesis. Tipiracil prevents trifluridine from being broken down when taken orally. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true},"Pathways":null},{"ID":"DB08938","Name":"Magaldrate","DrugType":"small molecule","HalfLife":"","Description":"Magaldrate is an antacid drug used for the treatment of esophagitis, duodenal and gastric ulcers, and gastroesophageal reflux. Magaldrate has been discontinued in the US market.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08939","Name":"Letosteine","DrugType":"small molecule","HalfLife":"","Description":"Letosteine is a mucolytic used in the treatment of chronic bronchopneumopathies and related conditions. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08940","Name":"Kebuzone","DrugType":"small molecule","HalfLife":"","Description":"Kebuzone (also known as ketophenylbutazone ) is a non-steroidal anti-inflammatory drug.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08941","Name":"Isoxsuprine","DrugType":"small molecule","HalfLife":"","Description":"A beta-adrenergic agonist that causes direct relaxation of uterine and vascular smooth muscle. Its vasodilating actions are greater on the arteries supplying skeletal muscle than on those supplying skin. It is used in the treatment of peripheral vascular disease and in premature labor. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08943","Name":"Isoconazole","DrugType":"small molecule","HalfLife":"","Description":"Isoconazole is an azole antifungal drug that has similar effectiveness to clotrimazole in the treatment of foot and vaginal infections.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08944","Name":"Isoaminile","DrugType":"small molecule","HalfLife":"","Description":"Isoaminile, an antitussive drug with a structure similar to methadone, is also an anticholinergic with both antimuscarinic and antinicotinic properties. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08946","Name":"Iopanoic acid","DrugType":"small molecule","HalfLife":"","Description":"Iopanoic acid is an iodine-containing radiocontrast medium used in cholecystography.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08947","Name":"Iopamidol","DrugType":"small molecule","HalfLife":"","Description":"Iopamidol is a contrast agent developed by Bracco with nonionic, low-osmolar properties.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08948","Name":"Iodamide","DrugType":"small molecule","HalfLife":"","Description":"Iodamide is a contrast medium molecule that is no longer marketed in the United States.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08950","Name":"Indoramin","DrugType":"small molecule","HalfLife":"","Description":"Indoramin is a discontinued piperidine antiadrenergic drug with the trade names Baratol and Doralese. It is a selective alpha-1 adrenergic antagonist with no reflex tachycardia and direct myocardial depression action.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001077","Name":"Indoramin Hydrochloride"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08951","Name":"Indoprofen","DrugType":"small molecule","HalfLife":"2.3 hours.","Description":"A drug that has analgesic and anti-inflammatory properties. Following reports of adverse reactions including reports of carcinogenicity in animal studies it was withdrawn from the market worldwide.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08952","Name":"Indenolol","DrugType":"small molecule","HalfLife":"","Description":"Indenolol is a drug of the beta-adrenergic blocker class. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08953","Name":"Indalpine","DrugType":"small molecule","HalfLife":"","Description":"Indalpine was one of the first selective serotonin reuptake inhibitors to reach the American market. It was initially marketed by Pharmuka. However, after the emergence of widespread concern regarding adverse effects caused by SSRIs, and reported hematological effects caused by Indalpine, it was abruptly withdrawn from the US market.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB08954","Name":"Ifenprodil","DrugType":"small molecule","HalfLife":"","Description":"Ifenprodil is a selective NMDA receptor (glutamate) antagonist.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001078","Name":"Ifenprodil Tartrate"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08955","Name":"Ibuproxam","DrugType":"small molecule","HalfLife":"","Description":"Ibuproxam is a non steroidal anti-inflammatory drug (NSAID). ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08956","Name":"Hydroxydione","DrugType":"small molecule","HalfLife":"","Description":"Hydroxydione (Viadril) is a neuroactive steroid used as a general anesthetic.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001079","Name":"HYDROXYDIONE SODIUM"}],"Groups":{"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB08957","Name":"Hexoprenaline","DrugType":"small molecule","HalfLife":"","Description":"Hexoprenaline is a stimulant of beta 2 adrenergic receptors. It is used as a bronchodilator, antiasthmatic, and tocolytic agent. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001080","Name":"Hexoprenaline Sulfate"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08958","Name":"Hexetidine","DrugType":"small molecule","HalfLife":"","Description":"A bactericidal and fungicidal antiseptic. It is used as a 0.1% mouthwash for local infections and oral hygiene. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08959","Name":"Hexestrol","DrugType":"small molecule","HalfLife":"","Description":"A synthetic estrogen that has been used as a hormonal antineoplastic agent.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001081","Name":"Hexestrol diphosphate sodium"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08960","Name":"Hexamethonium","DrugType":"small molecule","HalfLife":"","Description":"A nicotinic cholinergic antagonist often referred to as the prototypical ganglionic blocker. It is poorly absorbed from the gastrointestinal tract and does not cross the blood-brain barrier. It has been used for a variety of therapeutic purposes including hypertension but, like the other ganglionic blockers, it has been replaced by more specific drugs for most purposes, although it is widely used a research tool.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001082","Name":"Hexamethonium Bromide"}],"Groups":{"experimental":true},"Pathways":null},{"ID":"DB08961","Name":"Azosemide","DrugType":"small molecule","HalfLife":"Terminal half life 2-3 hours. [1]","Description":"Azosemide is a loop diuretic used to treat hypertension, edema, and ascites [1,2]. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"Exact mechanism of action is unclear. However, it acts primarily on the loop of Henle, in both the medullary and cortical segments of the thick ascending limb. [1]\r\n \r\n","Pharmacodynamics":"Diuretic affects upon oral administration match those of furosemide. However, upon intravenous administration azosemide displays 5.5-8 times greater effect. \r\n","Absorption":"Peak plasma concentrations are achieved in 3-4 hours when azosemide is administered to healthy humans in a fasting state.\r\nThere is an absorption lag time of approximately 1 hour. [1]\r\nOral bioavailability estimated to be 20.4% [1]","Interactions":null,"Salts":[{"ID":"DBSALT001083","Name":"Azosemide phosphate"}],"Groups":{"investigational":true},"Pathways":null},{"ID":"DB08962","Name":"Glibornuride","DrugType":"small molecule","HalfLife":"","Description":"Glibornuride is a sulfonylurea-type anti-diabetic drug.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08964","Name":"Gemeprost","DrugType":"small molecule","HalfLife":"","Description":"Gemeprost is used for preoperative dilation of the cervix before surgical abortion.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08965","Name":"Fusafungine","DrugType":"small molecule","HalfLife":"","Description":"Fusafungine is an antibiotic from Fusarium lateririum, and is used for the treatment of respiratory infections.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08966","Name":"Fursultiamine","DrugType":"small molecule","HalfLife":"","Description":"Compound used for therapy of thiamine deficiency. It has also been suggested for several non-deficiency disorders but has not yet proven useful. Fursultiamine is a vitamin B1 derivative. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08967","Name":"Dimetotiazine","DrugType":"small molecule","HalfLife":"","Description":"Dimetotiazine has considerable antiemetic \u0026 serotonin antagonistic action used mainly in allergic skin conditions.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08968","Name":"Fominoben","DrugType":"small molecule","HalfLife":"","Description":"Fominoben is an antitussive agent.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08969","Name":"Flurothyl","DrugType":"small molecule","HalfLife":"","Description":"Flurothyl is a convulsant primarily used in experimental animals. It was formerly used to induce convulsions as a alternative to electroshock therapy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08970","Name":"Fluprednidene Acetate","DrugType":"small molecule","HalfLife":"","Description":"Fluprednidene acetate is a corticosteroid.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08971","Name":"Fluocortolone","DrugType":"small molecule","HalfLife":"","Description":"Fluocortolone is a glucocorticoid with anti-inflammatory activity used topically for various skin disorders.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08972","Name":"Flumequine","DrugType":"small molecule","HalfLife":"","Description":"Flumequine is a synthetic chemotherapeutic antibiotic of the fluoroquinolone drug class used to treat bacterial infections.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08973","Name":"Fluclorolone acetonide","DrugType":"small molecule","HalfLife":"","Description":"Fluclorolone acetonide (INN, or flucloronide, USAN, trade names Cutanit, Topicon) is a corticosteroid for topical use on the skin. [Wikipedia]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08974","Name":"Flubendazole","DrugType":"small molecule","HalfLife":"","Description":"Flubendazole is an anthelmintic that is used to treat worm infection in humans. It is available OTC in Europe.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08975","Name":"Florantyrone","DrugType":"small molecule","HalfLife":"","Description":"Florantyrone is used in the treatment of biliary dyskinesia","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08976","Name":"Floctafenine","DrugType":"small molecule","HalfLife":"","Description":"Floctafenine is an anti-inflammatory analgesic similar in action to aspirin. Floctafenine inhibits prostaglandin synthesis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08977","Name":"Fibrinolysin","DrugType":"biotech","HalfLife":"almost completely inactivated after 24 hours.","Description":"Fibrinolysin (also known as Plasmin) is a bovine enzyme derived from bovine plasma or extracted from bacterial cultures. It is a globular protein with a molecular weight of ~90,000 daltons. Fibrinolysin consists of two polypeptide chains, one light and one heavy, linked by a disulfide bond. The light chain has a molecular weight of approximately 27,000 Da and contains the active center of fibrinolysin; the heavy chain has a molecular weight of approximately 57,000 Da. Fibrolysin is used as a local healing ointment when combined together with the enzyme deoxyribonuclease I (extracted from bovine pancreas). Fibrinolysin and deoxyribonuclease both act as lytic enzymes. The combination is available as ointment containing 1 BU (Biological Unit) fibrinolysin and 666 BUs desoxyribonuclease per gram. The ointment is marketed by Pfizer under the brand name Fibrolan in a variety of countries is currently not approved in the USA.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Fibrinolysin assists with the healing of minor burns, superficial wounds, ulcers, surgical wounds, and superficial hematomas.","Toxicity":"","MechanismOfAction":"Fibrinolysin attacks and inactivates fibrin molecules occurring in undesirable exudates on the surface of the human body and on human mucosa, e.g., in superficial wounds and burns, while desoxyribonuclease targets and destroys (human) DNA. The combination of the two enzymes has a synergistic effect on necrotic but not on living tissue.","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08978","Name":"Fentonium","DrugType":"small molecule","HalfLife":"","Description":"Fentonium is an atropine derivative.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08979","Name":"Fenspiride","DrugType":"small molecule","HalfLife":"","Description":"Fenspiride is an oxazolidinone spiro compound used as a drug in the treatment of certain respiratory diseases. It is approved for use in Russia for the treatment of acute and chronic inflammatory diseases of ENT organs and the respiratory tract (like rhinopharyngitis, laryngitis, tracheobronchitis, otitis and sinusitis), as well as for maintenance treatment of asthma.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08980","Name":"Fendiline","DrugType":"small molecule","HalfLife":"","Description":"Fendiline is a coronary vasodilator which inhibits calcium function in muscle cells in excitation-contraction coupling. It has been proposed as an antiarrhythmic and antianginal agent. Fendiline is non-selective. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08981","Name":"Fenbufen","DrugType":"small molecule","HalfLife":"","Description":"Fenbufen is a non-steroidal anti-inflammatory drug used primarily to treat inflammation in osteoarthritis, ankylosing spondylitis, and tendinitis. It can also be used to relieve backaches, sprains, and fractures. Fenbufen is available as a capsule or tablet sold with the brand names Cepal, Cinopal, Cybufen, Lederfen, and Reugast. Fenbufen acts by preventing cyclooxygenase from producing prostaglandins which can cause inflammation. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08982","Name":"Etozoline","DrugType":"small molecule","HalfLife":"","Description":"Etozoline (Diulozin, Elkapin, Etopinil) is a loop diuretic used in Europe.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08983","Name":"Etofibrate","DrugType":"small molecule","HalfLife":"","Description":"Etofibrate is a fibrate. It is a combination of clofibrate and niacin, linked together by an ester bond. In the body, clofibrate and niacin separate and are released gradually, in a manner similar to controlled-release formulations.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08984","Name":"Etofenamate","DrugType":"small molecule","HalfLife":"","Description":"Etofenamate is a non-steroidal anti-inflammatory drug (NSAID) used for the treatment of joint and muscular pain.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08985","Name":"Etilefrine","DrugType":"small molecule","HalfLife":"","Description":"Etilefrine is an adrenergic agonist that appears to interact with beta-2 and some alpha adrenergic receptors. It has been used as a vasoconstrictor agent.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08986","Name":"Etifoxine","DrugType":"small molecule","HalfLife":"","Description":"Etifoxine is an anxiolytic and anticonvulsant drug developed by Hoechst in the 1960s. It is used in anxiety disorders and to promote peripheral nerve healing. It has similar effects to benzodiazepine drugs, but is structurally distinct and does not bind to the benzodiazepine receptor. It is more effective than lorazepam as an anxiolytic, and has fewer side effects. Etifoxine has been associated with acute liver injury.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08987","Name":"Etidocaine","DrugType":"small molecule","HalfLife":"","Description":"Etidocaine, marketed under the trade name Duranest, is a local anesthetic given by injection during surgical procedures and labor and delivery. Etidocaine has a long duration of activity, but has the main disadvantage of increased bleeding during oral surgery.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08988","Name":"Ethoheptazine","DrugType":"small molecule","HalfLife":"","Description":"Ethoheptazine (trade name Zactane) is an opioid analgesic from the phenazepine family. It was invented in the 1950s and is related to other drugs such as proheptazine. Ethoheptazine is no longer marketed in the United States.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001084","Name":"Ethoheptazine Citrate"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08989","Name":"Etamivan","DrugType":"small molecule","HalfLife":"","Description":"Etamivan (INN) or ethamivan (USAN), trade name Analepticon, is a respiratory stimulant drug related to nikethamide. It is no longer used in the United States. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08990","Name":"Eprazinone","DrugType":"small molecule","HalfLife":"","Description":"Eprazinone (trade name Eftapan) is a mucolytic drug, and relieves bronchospasms.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001085","Name":"Eprazinone Hydrochloride"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08991","Name":"Epirizole","DrugType":"small molecule","HalfLife":"","Description":"Epirizole is a nonsteroidal anti-inflammatory drug (NSAID).","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08992","Name":"Eperisone","DrugType":"small molecule","HalfLife":"","Description":"Eperisone is an antispasmodic drug which relaxes both skeletal muscles and vascular smooth muscles, and demonstrates a variety of effects such as reduction of myotonia, improvement of circulation, and suppression of the pain reflex. It is not approved for use in the United States, but is available in other countries like India, South Korea, and Bangladesh. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001099","Name":"Eperisone Hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB08993","Name":"Enviomycin","DrugType":"small molecule","HalfLife":"","Description":"Cyclic basic peptide related to viomycin. It is isolated from an induced mutant of Streptomyces griseoverticillatus var. tuberacticus and acts as an antitubercular agent with less ototoxicity than tuberactinomycin.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001086","Name":"Enviomycin Sulfate"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB08994","Name":"Ditazole","DrugType":"small molecule","HalfLife":"","Description":"Ditazole is a non-steroidal anti-inflammatory agent with analgesic and antipyretic activity similar to phenylbutazone. Additionally, ditazole is a platelet aggregation inhibitor marketed in Spain and Portugal with trade name Ageroplas. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08995","Name":"Diosmin","DrugType":"small molecule","HalfLife":"","Description":"Diosmin is a semisynthetic drug indicated for the treatment of venous disease. Diosmin is a flavone that can be found in the plant Teucrium gnaphalodes. Diosmin is available as a prescription medicine in several European countries, and is available as a nutritional supplement in the United States and the rest of Europe. It should be noted that clinical studies have been inconclusive and no articles have been published pertaining to its use in the treatment of vascular disease. When used in rats, diosmin has been effective at mitigating hyperglycaemia, and may also have antineurodegenerative properties. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08996","Name":"Dimetacrine","DrugType":"small molecule","HalfLife":"Approximately 10 hours. (PMID 5312397)","Description":"Dimetacrine (Istonil, Istonyl, Linostil, Miroistonil), also known as dimethacrine and acripramine, is a tricyclic antidepressant (TCA) with imipramine-like effects used in Europe and formerly in Japan for the treatment of depression. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"Dimetacrine may induce severe cardiac toxicity in overdose. This property is unique among the tricyclic antidepressants. ","MechanismOfAction":"","Pharmacodynamics":"Little is known about the pharmacology of dimetacrine. ","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001096","Name":"Dimetacrine bitartrate"},{"ID":"DBSALT001095","Name":"Dimetacrine tartrate"}],"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB08997","Name":"Dexetimide","DrugType":"small molecule","HalfLife":"","Description":"A muscarinic antagonist that has been used to treat neuroleptic-induced parkinsonism. Benzetimide is the (-)-enantimorph of dexetimide.\r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB08998","Name":"Demexiptiline","DrugType":"small molecule","HalfLife":"","Description":"Demexiptiline (Deparon, Tinoran) is a tricyclic antidepressant used in France for the treatment of depression. It acts primarily as a norepinephrine reuptake inhibitor similarly to desipramine.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB08999","Name":"Cyclopentamine","DrugType":"small molecule","HalfLife":"","Description":"Cyclopentamine is a sympathomimetic alkylamine, classified as a vasoconstrictor. Cyclopentamine was indicated in the past as an over-the-counter medication for use as a nasal decongestant, notably in Europe and Australia, but has now been largely discontinued possibly due to the availability, effectiveness, and safety of a structurally similar drug, propylhexedrine.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB09000","Name":"Cyamemazine","DrugType":"small molecule","HalfLife":"","Description":"Cyamemazine (Tercian), also known as cyamepromazine, is a typical antipsychotic drug of the phenothiazine class used primarily in the treatment of schizophrenia and psychosis-associated anxiety. Cyamemazine actually behaves like an atypical antipsychotic, due to its potent anxiolytic effects (5-HT2C) and lack of extrapyramidal side effects (5-HT2A). ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB09001","Name":"Barbexaclone","DrugType":"small molecule","HalfLife":"After IV administration in mice, levels of phenobarbital declined exponentially with a half life of 7.5h. [3]\r\nFor propylhexedrine t0.5a = 0.31h and t0.5b = 2.5h. ","Description":"Barbexaclone, a salt compound of propylhexedrine and phenobarbital, is a potent antiepileptic. [4] By weight, \r\nbarbexaclone is 40% propylhexedrine and 60% phenobarbital. [2] While barbexaclone has sedative properties,\r\npropylhexedrine has psychostimulant properties intended to offset these sedative effects. \r\nPharmacokinetic studies have demonstrated that the pharmacokinetics of phenobarbital given as barbexaclone are not affected by propylhexedrine. Several reports from Spanish and Italian literature suggest that barbexaclone is at least as effective as phenobarbital in adults and children, while being better tolerated and having less sedative properties. \r\nThese reports were conducted in a small series of patients in the 1970s and 1980s, and have yet to be \r\nconfirmed by larger controlled trials. [4] Despite the lack of controlled trials, barbexaclone was used widely in Turkey until it was discontinued in 2009. [1] \r\n\r\nBarbexaclone exists in 25mg and 100mg tablets. 100mg of barbexaclone is equivalent to 60mg of phenobarbital. With this difference in potency in mind, other pharmacokinetic considerations such as dose titration, daily dosing, and optimal plasma concentration can be considered the same as for the equivalent amount of phenobarbital. [4]\r\n\r\nThere has been a case of barbexaclone abuse due to the amphetamine like properties of propylhexedrine, \r\nalthough the comparative abuse potential is much lower than amphetamine. [2]","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Created for the treatment for epilepsy, with the intent of creating an antiepileptic with less sedative properties than phenobarbital. \r\n","Toxicity":"Barbiturates are associated with congenital heart malformations, facial clefts, and other malformations. [5]\r\nThere is no available data on the use of barbexaclone in pregnancy. One case of a 36 year old women \r\nwho used barbexaclone 300mg/day and oxcarbezine 600mg/day for 2 years before the pregnancy and 10 weeks into \r\npregnancy resulted in an uncomplicated delivery and normal physical, motor, and mental development at 24 months of age. \r\n[5] ","MechanismOfAction":"Phenobarbitol targets GABA receptors in the CNS. \r\nPropylhexedrine is a TAAR1 agonist. ","Pharmacodynamics":"","Absorption":"After oral administration of barbexaclone in mice the maximum plasma levels of \r\nprophylhexedrine appeared after 4 minutes, and propylhexedrine was seen to penetrate the blood brain barrier rapidly. \r\nBioavailability (AUC oral / AUC iv) = 0.37. [3]\r\nPhenobarbital was observed to reach the blood more slowly, and brain uptake was a slow process. \r\nEquilibrium concentrations with plasma reached after 30 minutes after i.v injection. [3]","Interactions":null,"Salts":[{"ID":"DBSALT001088","Name":"Barbexaclone"}],"Groups":{"experimental":true},"Pathways":null},{"ID":"DB09002","Name":"Cloperastine","DrugType":"small molecule","HalfLife":"","Description":"Cloperastine is a cough suppressant that acts on the central nervous system.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001087","Name":"Cloperastine hydrochloride"}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB09003","Name":"Clocapramine","DrugType":"small molecule","HalfLife":"","Description":"Clocapramine is an atypical antipsychotic of the imidobenzyl class which was introduced in Japan in 1974 for the treatment of schizophrenia. In addition to psychosis, clocapramine has also been used to augment antidepressants in the treatment of anxiety and panic. Clocapramine has been implicated in at least one strange death, including a suicide. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB09004","Name":"Clobutinol","DrugType":"small molecule","HalfLife":"","Description":"Clobutinol is a cough suppressant that is withdrawn from the US and EU markets. Studies in 2004 had indicated that clobutinol has the potential to prolong the QT interval. In 2007, Clobutinol was determined to cause cardiac arrhythmia in some patients.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB09006","Name":"Clinofibrate","DrugType":"small molecule","HalfLife":"","Description":"Clinofibrate is a fibrate drug sold and marketed in Japan. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB09007","Name":"Chlorphenoxamine","DrugType":"small molecule","HalfLife":"","Description":"Chlorphenoxamine (Phenoxene) is an antihistamine and anticholinergic used as an antipruritic and antiparkinsonian agent.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB09008","Name":"Cephaloridine","DrugType":"small molecule","HalfLife":"","Description":"Cephaloridine (or cefaloridine) is a first generation semisynthetic derivative of cephalosporin C. It is unique among cephalosporins in that it exists as a zwitterion.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB09009","Name":"Articaine","DrugType":"small molecule","HalfLife":"","Description":"Articaine is a dental local anesthetic. It is the most widely used local anesthetic in a number of European countries and is available in many countries around the world.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001089","Name":"Articaine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB09010","Name":"Carmofur","DrugType":"small molecule","HalfLife":"","Description":"Carmofur is a derivative of fluorouracil, and is an antineoplastic agent that has been used in the treatment of breast and colorectal cancer. Carmofur has been known to induce leukoencephalopathy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB09012","Name":"Carbazochrome","DrugType":"small molecule","HalfLife":"","Description":"Carbazochrome is an antihemorrhagic, or hemostatic, agent that will cease blood flow by causing the aggregation and adhesion of platelets in the blood to form a platelet plug, ceasing blood flow from an open wound. It is hoped that this drug can be used in the future for preventing excessive blood flow during surgical operations and the treatment of hemorrhoids, but research on its effectiveness and the severity of possible side effects remains to be fairly inconclusive.\r\n\r\nCarbazochrome has been investigated for use in the treatment of hemorrhoids in a mixture with troxerutin.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true,"withdrawn":true},"Pathways":null},{"ID":"DB09013","Name":"Befunolol","DrugType":"small molecule","HalfLife":"","Description":"Befunolol is a beta blocker introduced in 1983 by Kakenyaku Kakko. It is currently in experimental status, and is being tested for the management of open angle glaucoma. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Used in the management of open angle glaucoma. PMID: 12480285. ","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001100","Name":"befunolol hydrochloride"}],"Groups":{"experimental":true},"Pathways":null},{"ID":"DB09014","Name":"Captodiame","DrugType":"small molecule","HalfLife":"","Description":"Captodiame, also known as captodiamine, is an antihistamine which is used as a sedative and anxiolytic. It is a derivative of diphenhydramine. Captodiame has been suggested for use in preventing benzodiazepine withdrawal syndrome.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Captodiame is indicated for the treatment of anxiety. ","Toxicity":"-TDLo oral 17mg/kg (human) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX). PMID: 13535337.\r\n-LD50 intraperitoneal 116mg/kg (mouse) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD. PMID: 13062090.\r\n-LD50 intravenous 72mg/kg (mouse) BEHAVIORAL: ATAXIA. PMID: 14109651.","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001090","Name":"Captodiamine hydrochloride "}],"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB09015","Name":"Potassium Canrenoate","DrugType":"small molecule","HalfLife":"","Description":"Potassium canrenoate, the potassium salt of canrenoic acid, is an aldosterone antagonist. Like spironolactone, it is a prodrug, which is metabolized to canrenone in the body.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB09016","Name":"Butriptyline","DrugType":"small molecule","HalfLife":"","Description":"Butriptyline is a tricyclic antidepressant which has been used in Europe since 1974. It is the isobutyl side chain homologue of amitriptyline and produces similar effects to it, but with less marked side effects like sedation and interactions with adrenergic drugs.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"Side effects of tricyclic antidepressants include dry mouth, sour or metallic taste, constipation, retention of urine, blurred vision and changes in focusing, palpitations, and fast heart beat. Gastrointestinal disturbances (including nausea and vomiting), drowsiness, tremor, low blood pressure when standing, dizziness, sweating, weakness and fatigue, incoordination, epilepsy-like seizures, and speech difficulties may occur.","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001091","Name":"Butriptyline HCl"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB09017","Name":"Brotizolam","DrugType":"small molecule","HalfLife":"4.4 hours.","Description":"Brotizolam is a sedative-hypnotic thienodiazepine drug which is a benzodiazepine analog. It possesses anxiolytic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties, and is considered to be similar in effect to short-acting benzodiazepines such as triazolam. It is used in the short term treatment of severe or debilitating insomnia. Brotizolam is an extremely potent drug and it is rapidly eliminated with an average half-life of 4.4 hours (range 3.6 - 7.9 hours).\r\n\r\nBrotizolam is not approved for sale in the UK, United States or Canada. It is approved for sale in the Netherlands, Germany, Spain, Belgium, Austria, Portugal, Israel, Italy and Japan.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Brotizolam is indicated for the short-term treatment (2-4 weeks) of severe or debilitating insomnia. ","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"The plasma concentration profile of brotizolam can be described as a one compartmental open model with first-order absorption.","Interactions":null,"Salts":null,"Groups":{"approved":true,"withdrawn":true},"Pathways":null},{"ID":"DB09018","Name":"Bromopride","DrugType":"small molecule","HalfLife":"","Description":"Bromopride is a dopamine antagonist with prokinetic properties closely related to metoclopramide, and is widely used as an antiemetic. It is not available in the United States or the United Kingdom.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Bromopride in indicated in the treatment of nausea and vomiting, including PONV (post-operative nausea and vomiting), gastroesophageal reflux disease (GERD/GORD), as well as endoscopy preparation and radiographic studies of the GI tract. ","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB09019","Name":"Bromhexine","DrugType":"small molecule","HalfLife":"","Description":"Bromhexine is an expectorant/mucolytic agent. Bromhexine is not available in the United States. It is marketed under the trade name Bisolvon(R) in Germany, England, Belgium, France, Italy, Netherlands, Norway, Sweden, Australia, and South Africa. \r\n","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001092","Name":"Bromhexine Hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB09020","Name":"Bisacodyl","DrugType":"small molecule","HalfLife":"16 hours","Description":"Bisacodyl is an organic compound that is used as a stimulant laxative drug. It works directly on the colon to produce a bowel movement. It is typically prescribed for relief of constipation and for the management of neurogenic bowel dysfunction as well as part of bowel preparation before medical examinations, such as for a colonoscopy.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":" Indicated for cleansing of the colon as a preparation for colonoscopy in adults. ","Toxicity":"","MechanismOfAction":"Induces diarrhea which cleanses the colon. ","Pharmacodynamics":"Bisacodyl is hydrolyzed by intestinal brush border enzymes and colonic bacteria to form an active metabolite [bis-(p-hydroxyphenyl) pyridyl-2 methane; (BHPM)] that acts directly on the colonic mucosa to produce colonic peristalsis.","Absorption":"15%","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB09021","Name":"Benzoctamine","DrugType":"small molecule","HalfLife":"2 to 3 hours.","Description":"Benzoctamine is a drug that possesses sedative and anxiolytic properties. It is different from most sedative drugs because in most clinical trials it does not produce respiratory depression, but actually stimulates the respiratory system. Benzoctamine has been found to have the same efficacy as chlordiazepoxide when treating anxiety neurosis.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001093","Name":"Benzoctamine hydrochloride"}],"Groups":{"approved":true},"Pathways":null},{"ID":"DB09022","Name":"Benfluorex","DrugType":"small molecule","HalfLife":"","Description":"Benfluorex is an anorectic and hypolipidemic agent that is structurally related to fenfluramine. It was patented and manufactured by a French pharmaceutical company Servier. \r\n\r\nOn 18 December 2009, the European Medicines Agency (EMEA) recommended the withdrawal of all medicines containing benfluorex in the European Union, because their risks, particularly the risk of heart valve disease (fenfluramine-like cardiovascular side-effects), are greater than their benefits.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":[{"ID":"DBSALT001094","Name":"Benfluorex Hydrochloride"}],"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB09023","Name":"Benactyzine","DrugType":"small molecule","HalfLife":"","Description":"Benactyzine is an anticholinergic drug used as an antidepressant in the treatment of depression and associated anxiety.\r\n\r\nBenactyzine is no longer widely used in medicine, although it is still a useful drug for scientific research. It does not possess any antihistamine properties.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"withdrawn":true},"Pathways":null},{"ID":"DB09024","Name":"Follitropin Alpha","DrugType":"biotech","HalfLife":"Elimination half-life in healthy female volunteers after subcutaneous injection was 24-53 hours and in males it was 32-41 hours. ","Description":"Follitropin alpha is a human follicle stimulating hormone (FSH) preparation of recombinant DNA origin, which consists of two non-covalently linked, non-identical glycoproteins designated as the alpha- and beta- subunits. The alpha- and beta- subunits have 92 and 111 amino acids. The alpha subunit is glycosylated at Asn 51 and Asn 78 while the beta subunit is glycosylated at Asn 7 and Asn 24. Follitropin alpha was the world’s first recombinant human FSH preparation and is produced in genetically engineered Chinese hamster cell lines (CHO). The nomenclature “alpha” differentiates it from another recombinant human FSH product that was marketed later as follitropin beta. Numerous physio-chemical tests and bioassays indicate that follitropin beta and follitropin alpha are indistinguishable. However, a more recent study showed there is may be a slight clinical difference, with the alpha form tending towards a higher pregnancy rate and the beta form tending towards a lower pregnancy rate, but with significantly higher estradiol (E2) levels. Structural analysis shows that the amino acid sequence of follitropin beta is identical to that of natural human follicle stimulating hormone (FSH). Further, the ogliosaccharide side chains are very similar, but not completely identical to that of natural FSH. However, these small differences do not affect the bioactivity compared to natural FSH.","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"In women having been diagnosed with primary ovarian failure, it is used in combination with human chorionic gonadotropin (hCG) to assist in ovulation and fertility. In men with hypogonadotrophic hypogonadism, it is used to induce spermatogenesis. Follitropin may also be used to cause the ovary to produce several follicles, which can then be harvested for use in gamete intrafallopian transfer (GIFT) or in vitro fertilization (IVF). ","Toxicity":"Headaches, ovarian cysts, nausea and upper respiratory tract infections occurred in more than 10% of women in clinical trials. In men, the most serious adverse events reported were testicular surgery for cryptorchidism which existed prestudy, hemoptysis, an infected pilonidal cyst, and lymphadenopathy associated with an Epstein-Barr viral infection. Other concerns include overstimulation of the ovaries, pulmonary and vascular complications and multiple births. Post-marketing reports revealed hypersensitivity reactions including anaphylactoid reactions and asthma. Follitropin is contraindicated in pregnant women. No studies have been done in nursing mothers. ","MechanismOfAction":"Follitropin is important for spermatogenesis, gonadal steroid production and follicule growth and maturation . ","Pharmacodynamics":"The main pharmacodynamic parameters are serum inhibin, estradiol and total follicular volume with daily injections of follitropin. The quickest response was noticed with serum inhibin, which declined rapidly after discontinuation. Follicular growth showed late response and continued even after discontinuation of the drug and after decline of the serum concentrations. Thus follicular growth was better correlated with serum inhibin and estradiol rather than peal levels of the drug. It should be noted that there is great inter-individual variability.","Absorption":"The absorption rate is the main driving force behind the pharmokinetics of Follitropin alpha as the rate of absorption was found to be slower than the elimination rate after administration subcutaneously and intramuscularly. The bioavailability is approximately 66-76%. The time to peak after subcutaneous injection in healthy volunteers was 8-16 hours in females and 11-20 hours in males.","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null},{"ID":"DB09026","Name":"Aliskiren","DrugType":"biotech","HalfLife":"","Description":"","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":[{"ID":"DB00346"},{"ID":"DB01143"},{"ID":"DB01076"},{"ID":"DB00484"},{"ID":"DB08907"},{"ID":"DB00091"},{"ID":"DB01119"},{"ID":"DB00476"},{"ID":"DB00695"},{"ID":"DB01109"},{"ID":"DB01167"},{"ID":"DB01026"},{"ID":"DB00422"},{"ID":"DB08935"},{"ID":"DB00806"},{"ID":"DB00073"},{"ID":"DB00661"},{"ID":"DB01392"}],"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB09028","Name":"Cytisine","DrugType":"small molecule","HalfLife":"4.8 hours. ","Description":"Cytisine is an alkaloid that is found naturally in several plant genera such as Laburnum and Cytisus of the family Fabaceae. Recent studies have shown it to be a more effective and significantly more affordable smoking cessation treatment than nicotine replacement therapy. Also known as baptitoxine or sophorine, cytisine has been used as a smoking cessation treatment since 1964, and is relatively unknown in regions outside of central and Eastern Europe. Cytisine is a partial nicotinic acetylcholine agonist with a half-life of 4.8 hours. Recent Phase III clinical trials using Tabex (a brand of Cytisine marketed by Sopharma AD) have shown similar efficacy to varenicline, but at a fraction of the cost. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"Indicated for use in smoking cessation. ","Toxicity":"The therapeutic index of cytisine is wide.\r\n-Large doses can interfere with breathing and cause death. \r\nFrom MSDS:\r\norl-mus LD50:101 mg/kg ipr-mus LD50:8550 ug/kg ivn-mus LD50:1730 ug/kg scu-rat LD50:8750 ug/kg","MechanismOfAction":"Cytisine is a low efficacy partial agonist of ⍺4-β2 nicotinic acetylcholine receptors. These which are believed to be central to the effect of nicotine (NIC) on the reward pathway and facilitate addiction. Cytisine reduces the effects of NIC on dopamine release in the mesolimbic system when given alone, while simultaneously attenuating NIC withdrawal symptoms that accompany cessation attempts.","Pharmacodynamics":"Various models have been run where the affinity of nAChR agonists to the receptor subtype are tested to help identify the molecules, groups and steric conformation that are vital to greater affinity. By using a nAChR muscle receptor subtype (α1)2β1δγ model the following results were obtained:\r\nanatoxin \u003e epibatidine \u003e acetylcholine \u003e DMPP \u003e\u003e CYTISINE \u003e pyrantel \u003e nicotine \u003e coniine \u003e tubocurare \u003e lobeline,\r\nwhere anatoxin had the highest activity efficacy and tubocurare the lowest. Acetylcholine on the other hand induced a much longer opening time of the receptor though anatoxin is more potent. The results suggest that anatoxin derivatives would be helpful in understanding structure-activity relationships (SAR) for muscle nAChRs (Cooper et al., 1996). ","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true,"investigational":true},"Pathways":null},{"ID":"DB09029","Name":"Secukinumab","DrugType":"biotech","HalfLife":"","Description":"A human monoclonal antibody, secukinumab (Cosentyx) was designed for the treatment of uveitis, rheumatoid arthritis, ankylosing spondylitis, and psoriasis. Secukinumab is an interleukin-17A inhibitor marketed by Novartis. On January 19, 2015, secukinumab was approved by the European Commission as a first line systemic treatment in moderate to severe adult plaque psoriasis. On January 21, 2015, the United States Food and Drug Administration announced that it had approved secukinumab to treat adults with moderate-to-severe plaque psoriasis. ","Classification":{"Description":"","DirectParent":"","Kingdom":"","SuperClass":"","Class":"","SubClass":""},"Indication":"","Toxicity":"","MechanismOfAction":"","Pharmacodynamics":"","Absorption":"","Interactions":null,"Salts":null,"Groups":{"approved":true},"Pathways":null}] \ No newline at end of file diff --git a/drugs.go b/drugs.go new file mode 100644 index 0000000..a5809e6 --- /dev/null +++ b/drugs.go @@ -0,0 +1,92 @@ +package drugs + +import ( + "encoding/json" + "github.com/sahilm/fuzzy" + "io/ioutil" + "strings" +) + +type DrugInteraction struct { + ID string +} + +type PathWay struct { + ID string + Drugs []string +} + +type Salt struct { + ID string + Name string +} + +type DrugDatabase struct { + drugs []DrugInfo + index map[string]int + keys []string +} + +type Classification struct { + Description string + DirectParent string + Kingdom string + SuperClass string + Class string + SubClass string +} + +type DrugInfo struct { + ID string + Name string + DrugType string + HalfLife string + Description string + Classification Classification + Indication string + Toxicity string + MechanismOfAction string + Pharmacodynamics string + Absorption string + Interactions []DrugInteraction + Salts []Salt + Groups map[string]bool + Pathways []PathWay +} + +func (dd * DrugDatabase) generateIndex() { + dd.index = make(map[string]int) + for i,drug := range dd.drugs { + dd.index[strings.ToLower(drug.ID)] = i + dd.index[strings.ToLower(drug.Name)] = i + dd.keys = append(dd.keys, strings.ToLower(drug.ID)) + dd.keys = append(dd.keys, strings.ToLower(drug.Name)) + } +} + +func (dd * DrugDatabase) Lookup(query string) (DrugInfo) { + index,ok := dd.index[strings.ToLower(query)] + if ok { + return dd.drugs[index] + } + matches := fuzzy.Find(query, dd.keys) + for _,match := range matches { + return dd.drugs[dd.index[match.Str]] + } + return DrugInfo{} +} + +func LoadDatabaseJSON(path string) DrugDatabase { + data,err := ioutil.ReadFile(path) + if err == nil { + var db []DrugInfo + err := json.Unmarshal(data, &db) + if err == nil { + var ddb DrugDatabase + ddb.drugs = db + ddb.generateIndex() + return ddb + } + } + return DrugDatabase{} +} \ No newline at end of file diff --git a/drugs_test.go b/drugs_test.go new file mode 100644 index 0000000..f0c7e85 --- /dev/null +++ b/drugs_test.go @@ -0,0 +1,20 @@ +package drugs + +import ( + "testing" +) + +func TestQueryDatabase(t *testing.T) { + drugsdb := LoadDatabase("./drugbank.xml") + t.Logf("Query by ID: %v", drugsdb.QueryDatabaseByID("DB00083")) + t.Logf("Query by ID: %v", drugsdb.QueryDatabaseByName("Ibuprofen")) + for i := 50; i < 60; i++ { + t.Logf("Query by Name: %v", drugsdb.QueryDatabaseByIndex(i)) + } +} + +func TestQueryJson(t *testing.T) { + ddb := LoadDatabaseJSON("./drugs.4.2.db") + t.Logf("Query by ID: %v", ddb.Lookup("DB00083")) + t.Logf("Query by ID: %v", ddb.Lookup("ibupren")) +} diff --git a/go.mod b/go.mod new file mode 100644 index 0000000..cde0153 --- /dev/null +++ b/go.mod @@ -0,0 +1,10 @@ +module git.openprivacy.ca/sarah/sigil/cmd/sigilbot/drugs + +go 1.12 + +require ( + github.com/antchfx/xmlquery v1.1.0 + github.com/antchfx/xpath v1.1.0 // indirect + github.com/sahilm/fuzzy v0.1.0 + golang.org/x/net v0.0.0-20191027233614-53de4c7853b5 // indirect +) diff --git a/go.sum b/go.sum new file mode 100644 index 0000000..768e939 --- /dev/null +++ b/go.sum @@ -0,0 +1,12 @@ +github.com/antchfx/xmlquery v1.1.0 h1:vj0kZ1y3Q6my4AV+a9xbWrMYzubw+84zuiKgvfV8vb8= +github.com/antchfx/xmlquery v1.1.0/go.mod h1:/+CnyD/DzHRnv2eRxrVbieRU/FIF6N0C+7oTtyUtCKk= +github.com/antchfx/xpath v1.1.0 h1:mJTvYpiHvxNQRD4Lbfin/FodHVCHh2a5KrOFr4ZxMOI= +github.com/antchfx/xpath v1.1.0/go.mod h1:Yee4kTMuNiPYJ7nSNorELQMr1J33uOpXDMByNYhvtNk= +github.com/sahilm/fuzzy v0.1.0 h1:FzWGaw2Opqyu+794ZQ9SYifWv2EIXpwP4q8dY1kDAwI= +github.com/sahilm/fuzzy v0.1.0/go.mod h1:VFvziUEIMCrT6A6tw2RFIXPXXmzXbOsSHF0DOI8ZK9Y= +golang.org/x/crypto v0.0.0-20190308221718-c2843e01d9a2/go.mod h1:djNgcEr1/C05ACkg1iLfiJU5Ep61QUkGW8qpdssI0+w= +golang.org/x/net v0.0.0-20191027233614-53de4c7853b5 h1:IX2aat8xHKk1JAYuDPcTTEMfRaGQh2eHrTcrlp3KJi0= +golang.org/x/net v0.0.0-20191027233614-53de4c7853b5/go.mod h1:z5CRVTTTmAJ677TzLLGU+0bjPO0LkuOLi4/5GtJWs/s= +golang.org/x/sys v0.0.0-20190215142949-d0b11bdaac8a/go.mod h1:STP8DvDyc/dI5b8T5hshtkjS+E42TnysNCUPdjciGhY= +golang.org/x/text v0.3.0 h1:g61tztE5qeGQ89tm6NTjjM9VPIm088od1l6aSorWRWg= +golang.org/x/text v0.3.0/go.mod h1:NqM8EUOU14njkJ3fqMW+pc6Ldnwhi/IjpwHt7yyuwOQ= diff --git a/xmldrugdatabase.go b/xmldrugdatabase.go new file mode 100644 index 0000000..9fdd014 --- /dev/null +++ b/xmldrugdatabase.go @@ -0,0 +1,96 @@ +package drugs + +import ( + "github.com/antchfx/xmlquery" + "os" + "strconv" +) + + +func LoadDatabase(path string) XMLDrugsDatabase { + f, err := os.Open(path) + if err == nil { + doc, err := xmlquery.Parse(f) + if err == nil { + return XMLDrugsDatabase{doc} + } + } + return XMLDrugsDatabase{} +} + + +func populate_druginfo(node *xmlquery.Node) (di DrugInfo) { + di.ID = node.SelectElement("drugbank-id").InnerText() + di.Name = node.SelectElement("name").InnerText() + di.HalfLife = node.SelectElement("half-life").InnerText() + di.Description = node.SelectElement("description").InnerText() + di.Indication = node.SelectElement("indication").InnerText() + di.Pharmacodynamics = node.SelectElement("pharmacodynamics").InnerText() + di.Toxicity = node.SelectElement("toxicity").InnerText() + di.Absorption = node.SelectElement("absorption").InnerText() + di.MechanismOfAction = node.SelectElement("mechanism-of-action").InnerText() + + interactions := node.SelectElement("drug-interactions").SelectElements("drug-interaction") + for _, interaction := range interactions { + di.Interactions = append(di.Interactions, DrugInteraction{interaction.SelectElement("drugbank-id").InnerText()}) + } + + di.DrugType = node.SelectAttr("type") + + classification := node.SelectElement("classification") + if classification != nil { + di.Classification = Classification{ + classification.SelectElement("description").InnerText(), + classification.SelectElement("direct-parent").InnerText(), + classification.SelectElement("kingdom").InnerText(), + classification.SelectElement("superclass").InnerText(), + classification.SelectElement("class").InnerText(), + classification.SelectElement("subclass").InnerText()} + } + groups := node.SelectElement("groups").SelectElements("group") + di.Groups = make(map[string]bool) + for _, group := range groups { + di.Groups[group.InnerText()] = true + } + + salts := node.SelectElement("salts").SelectElements("salt") + for _, salt := range salts { + di.Salts = append(di.Salts, Salt{salt.SelectElement("drugbank-id").InnerText(), + salt.SelectElement("name").InnerText()}) + } + + pathways := node.SelectElement("pathways").SelectElements("pathway") + for _, pathway := range pathways { + pathwaysdrugs := []string{} + drugs := pathway.SelectElement("drugs").SelectElements("drug") + for _,drug := range drugs { + pathwaysdrugs = append(pathwaysdrugs, drug.SelectElement("drugbank-id").InnerText()) + } + di.Pathways = append(di.Pathways, PathWay{pathway.SelectElement("smpdb-id").InnerText(), pathwaysdrugs}) + } + + return +} + + +type XMLDrugsDatabase struct { + root *xmlquery.Node +} + +func (dd XMLDrugsDatabase) QueryDatabaseByID(ID string) (di DrugInfo) { + result := xmlquery.FindOne(dd.root, "//drugbank/drug[./drugbank-id='"+ID+"']") + return populate_druginfo(result) +} + +func (dd XMLDrugsDatabase) QueryDatabaseByIndex(index int) (di DrugInfo) { + result := xmlquery.FindOne(dd.root, "//drugbank/drug["+strconv.Itoa(index)+"]") + return populate_druginfo(result) +} + +func (dd XMLDrugsDatabase) QueryDatabaseByName(name string) (di DrugInfo) { + result := xmlquery.Find(dd.root, "//drugbank/drug[./name='"+name+"']") + if len(result) < 1 { + return + } + return populate_druginfo(result[0]) +}